*HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-JUN-06 2HFI *TITLE SOLUTION NMR STRUCTURE OF HYPOTHETICAL PROTEIN YPPE: *TITLE 2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR213 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YPPE; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; *SOURCE 3 ORGANISM_COMMON: BACTERIA; *SOURCE 4 GENE: YPPE; *SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 6 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BC21(DE3)+MAGIC; *SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 9 EXPRESSION_SYSTEM_PLASMID: SR213-21.2 *KEYWDS YPPE_BACSU, GFT NMR, STRUCTURAL GENOMICS, PSI, PROTEIN *KEYWDS 2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS *KEYWDS 3 CONSORTIUM, NESG *EXPDTA NMR, 20 STRUCTURES *AUTHOR G.LIU, K.K.SINGARAPU, D.PARISH, A.ELETSKY, D.XU, *AUTHOR 2 D.SUKUMARAN, C.K.HO, Y.FANG, K.CUNNINGHAM, L.-C.MA, R.XIAO, *AUTHOR 3 J.LIU, M.BARAN, G.V.T.SWAPNA, T.B.ACTON, B.ROST, *AUTHOR 4 G.T.MONTELIONE, T.SZYPERSKI, NORTHEAST STRUCTURAL GENOMICS *AUTHOR 5 CONSORTIUM (NESG) *REVDAT 2 01-SEP-10 2HFI 1 *REVDAT 1 25-JUL-06 2HFI 0 assign ( resid 7 and name HN ) ( resid 8 and name HN ) 3.48 1.69 1.69 assign ( resid 7 and name HB2 ) ( resid 8 and name HN ) 2.84 1.04 1.04 assign ( resid 7 and name HB1 ) ( resid 8 and name HN ) 2.84 1.04 1.04 assign ( resid 8 and name HN ) ( resid 8 and name HB2 ) 2.64 0.84 0.84 assign ( resid 8 and name HN ) ( resid 8 and name HB1 ) 2.64 0.84 0.84 assign ( resid 8 and name HN ) ( resid 9 and name HN ) 2.55 0.75 0.75 assign ( resid 8 and name HN ) ( resid 10 and name HN ) 3.32 1.53 1.53 assign ( resid 7 and name HA ) ( resid 9 and name HN ) 3.21 1.42 1.42 assign ( resid 8 and name HB2 ) ( resid 9 and name HN ) 2.89 1.09 1.09 assign ( resid 8 and name HB1 ) ( resid 9 and name HN ) 2.89 1.09 1.09 assign ( resid 7 and name HA ) ( resid 10 and name HN ) 3.20 1.40 1.40 assign ( resid 8 and name HA ) ( resid 10 and name HN ) 3.23 1.44 1.44 assign ( resid 9 and name HN ) ( resid 10 and name HN ) 2.69 0.90 0.90 assign ( resid 10 and name HN ) ( resid 10 and name HB ) 2.82 1.02 1.02 assign ( resid 10 and name HN ) ( resid 11 and name HN ) 2.71 0.91 0.91 assign ( resid 7 and name HA ) ( resid 11 and name HN ) 3.09 1.29 1.29 assign ( resid 10 and name HB ) ( resid 11 and name HN ) 2.58 0.79 0.79 assign ( resid 11 and name HN ) ( resid 11 and name HB2 ) 2.73 0.93 0.93 assign ( resid 11 and name HN ) ( resid 11 and name HB1 ) 2.73 0.93 0.93 assign ( resid 11 and name HN ) ( resid 12 and name HN ) 2.53 0.73 0.73 assign ( resid 8 and name HA ) ( resid 12 and name HN ) 3.05 1.26 1.26 assign ( resid 9 and name HA ) ( resid 12 and name HN ) 3.29 1.49 1.49 assign ( resid 10 and name HN ) ( resid 12 and name HN ) 3.61 1.81 1.81 assign ( resid 11 and name HB2 ) ( resid 12 and name HN ) 2.84 1.04 1.04 assign ( resid 11 and name HB1 ) ( resid 12 and name HN ) 2.84 1.04 1.04 assign ( resid 12 and name HN ) ( resid 12 and name HB2 ) 2.53 0.73 0.73 assign ( resid 12 and name HN ) ( resid 12 and name HB1 ) 2.53 0.73 0.73 assign ( resid 12 and name HN ) ( resid 14 and name HN ) 3.47 1.67 1.67 assign ( resid 10 and name HA ) ( resid 13 and name HN ) 3.03 1.24 1.24 assign ( resid 11 and name HN ) ( resid 13 and name HN ) 3.34 1.54 1.54 assign ( resid 11 and name HA ) ( resid 13 and name HN ) 3.48 1.69 1.69 assign ( resid 12 and name HN ) ( resid 13 and name HN ) 2.53 0.73 0.73 assign ( resid 12 and name HB2 ) ( resid 13 and name HN ) 2.91 1.11 1.11 assign ( resid 12 and name HB1 ) ( resid 13 and name HN ) 2.91 1.11 1.11 assign ( resid 13 and name HN ) ( resid 13 and name HB2 ) 2.73 0.93 0.93 assign ( resid 13 and name HN ) ( resid 13 and name HB1 ) 2.73 0.93 0.93 assign ( resid 10 and name HA ) ( resid 14 and name HN ) 3.52 1.72 1.72 assign ( resid 11 and name HA ) ( resid 14 and name HN ) 3.05 1.26 1.26 assign ( resid 12 and name HA ) ( resid 14 and name HN ) 3.09 1.29 1.29 assign ( resid 13 and name HN ) ( resid 14 and name HN ) 2.73 0.93 0.93 assign ( resid 13 and name HB2 ) ( resid 14 and name HN ) 2.98 1.18 1.18 assign ( resid 13 and name HB1 ) ( resid 14 and name HN ) 2.98 1.18 1.18 assign ( resid 14 and name HN ) ( resid 14 and name HB ) 2.46 0.66 0.66 assign ( resid 11 and name HA ) ( resid 15 and name HN ) 3.25 1.45 1.45 assign ( resid 12 and name HA ) ( resid 15 and name HN ) 2.76 0.97 0.97 assign ( resid 13 and name HN ) ( resid 15 and name HN ) 3.27 1.47 1.47 assign ( resid 14 and name HN ) ( resid 15 and name HN ) 2.55 0.75 0.75 assign ( resid 14 and name HB ) ( resid 15 and name HN ) 2.48 0.68 0.68 assign ( resid 15 and name HN ) ( resid 15 and name HB2 ) 2.55 0.75 0.75 assign ( resid 15 and name HN ) ( resid 15 and name HB1 ) 2.55 0.75 0.75 assign ( resid 15 and name HN ) ( resid 16 and name HN ) 2.46 0.66 0.66 assign ( resid 15 and name HN ) ( resid 17 and name HN ) 3.21 1.42 1.42 assign ( resid 12 and name HA ) ( resid 16 and name HN ) 3.21 1.42 1.42 assign ( resid 13 and name HA ) ( resid 16 and name HN ) 2.78 0.99 0.99 assign ( resid 14 and name HN ) ( resid 16 and name HN ) 3.30 1.51 1.51 assign ( resid 15 and name HB1 ) ( resid 16 and name HN ) 2.87 1.08 1.08 assign ( resid 16 and name HN ) ( resid 16 and name HB ) 2.44 0.64 0.64 assign ( resid 16 and name HN ) ( resid 18 and name HN ) 3.18 1.38 1.38 assign ( resid 13 and name HA ) ( resid 17 and name HN ) 3.11 1.31 1.31 assign ( resid 14 and name HA ) ( resid 17 and name HN ) 3.29 1.49 1.49 assign ( resid 15 and name HA ) ( resid 17 and name HN ) 3.23 1.44 1.44 assign ( resid 16 and name HN ) ( resid 17 and name HN ) 2.40 0.61 0.61 assign ( resid 16 and name HB ) ( resid 17 and name HN ) 2.49 0.70 0.70 assign ( resid 17 and name HN ) ( resid 18 and name HN ) 2.44 0.64 0.64 assign ( resid 17 and name HN ) ( resid 19 and name HN ) 3.14 1.35 1.35 assign ( resid 14 and name HA ) ( resid 18 and name HN ) 3.43 1.63 1.63 assign ( resid 15 and name HA ) ( resid 18 and name HN ) 2.71 0.91 0.91 assign ( resid 18 and name HN ) ( resid 18 and name HB2 ) 2.49 0.70 0.70 assign ( resid 18 and name HN ) ( resid 18 and name HB1 ) 2.58 0.79 0.79 assign ( resid 18 and name HN ) ( resid 19 and name HN ) 2.48 0.68 0.68 assign ( resid 15 and name HA ) ( resid 19 and name HN ) 3.18 1.38 1.38 assign ( resid 16 and name HA ) ( resid 19 and name HN ) 3.12 1.33 1.33 assign ( resid 18 and name HB2 ) ( resid 19 and name HN ) 2.93 1.13 1.13 assign ( resid 18 and name HB1 ) ( resid 19 and name HN ) 3.02 1.22 1.22 assign ( resid 16 and name HA ) ( resid 20 and name HN ) 2.84 1.04 1.04 assign ( resid 17 and name HA ) ( resid 20 and name HN ) 3.03 1.24 1.24 assign ( resid 18 and name HN ) ( resid 20 and name HN ) 3.18 1.38 1.38 assign ( resid 19 and name HN ) ( resid 20 and name HN ) 2.51 0.72 0.72 assign ( resid 19 and name HB1 ) ( resid 20 and name HN ) 3.11 1.31 1.31 assign ( resid 17 and name HA ) ( resid 21 and name HN ) 3.70 1.90 1.90 assign ( resid 18 and name HA ) ( resid 21 and name HN ) 2.93 1.13 1.13 assign ( resid 19 and name HN ) ( resid 21 and name HN ) 3.16 1.36 1.36 assign ( resid 20 and name HN ) ( resid 21 and name HN ) 2.55 0.75 0.75 assign ( resid 18 and name HA ) ( resid 22 and name HN ) 3.05 1.26 1.26 assign ( resid 20 and name HN ) ( resid 22 and name HN ) 3.32 1.53 1.53 assign ( resid 20 and name HA2 ) ( resid 22 and name HN ) 3.68 1.89 1.89 assign ( resid 21 and name HN ) ( resid 22 and name HN ) 2.49 0.70 0.70 assign ( resid 22 and name HN ) ( resid 22 and name HB* ) 2.84 1.05 1.05 assign ( resid 22 and name HN ) ( resid 23 and name HN ) 2.46 0.66 0.66 assign ( resid 19 and name HA ) ( resid 23 and name HN ) 3.32 1.53 1.53 assign ( resid 20 and name HA2 ) ( resid 23 and name HN ) 3.72 1.92 1.92 assign ( resid 21 and name HN ) ( resid 23 and name HN ) 3.86 2.07 2.07 assign ( resid 21 and name HA ) ( resid 23 and name HN ) 3.90 2.10 2.10 assign ( resid 23 and name HN ) ( resid 23 and name HB1 ) 2.73 0.93 0.93 assign ( resid 23 and name HN ) ( resid 23 and name HB2 ) 2.57 0.77 0.77 assign ( resid 20 and name HA2 ) ( resid 24 and name HN ) 3.50 1.71 1.71 assign ( resid 21 and name HA ) ( resid 24 and name HN ) 3.79 1.99 1.99 assign ( resid 22 and name HN ) ( resid 24 and name HN ) 3.47 1.67 1.67 assign ( resid 22 and name HA ) ( resid 24 and name HN ) 3.54 1.74 1.74 assign ( resid 23 and name HN ) ( resid 24 and name HN ) 2.80 1.00 1.00 assign ( resid 23 and name HB1 ) ( resid 24 and name HN ) 2.85 1.06 1.06 assign ( resid 23 and name HB2 ) ( resid 24 and name HN ) 3.56 1.76 1.76 assign ( resid 24 and name HN ) ( resid 24 and name HB2 ) 2.82 1.02 1.02 assign ( resid 24 and name HN ) ( resid 24 and name HB1 ) 2.82 1.02 1.02 assign ( resid 24 and name HN ) ( resid 25 and name HN ) 3.00 1.20 1.20 assign ( resid 21 and name HA ) ( resid 25 and name HN ) 3.57 1.78 1.78 assign ( resid 23 and name HA ) ( resid 25 and name HN ) 3.81 2.01 2.01 assign ( resid 24 and name HB2 ) ( resid 25 and name HN ) 3.16 1.36 1.36 assign ( resid 24 and name HB1 ) ( resid 25 and name HN ) 3.16 1.36 1.36 assign ( resid 25 and name HN ) ( resid 25 and name HB1 ) 2.69 0.90 0.90 assign ( resid 23 and name HA ) ( resid 26 and name HN ) 3.25 1.45 1.45 assign ( resid 24 and name HN ) ( resid 26 and name HN ) 3.45 1.65 1.65 assign ( resid 24 and name HA ) ( resid 26 and name HN ) 3.66 1.87 1.87 assign ( resid 25 and name HN ) ( resid 26 and name HN ) 2.98 1.18 1.18 assign ( resid 25 and name HB2 ) ( resid 26 and name HN ) 3.39 1.60 1.60 assign ( resid 36 and name HB2 ) ( resid 37 and name HN ) 3.52 1.72 1.72 assign ( resid 36 and name HB1 ) ( resid 37 and name HN ) 3.52 1.72 1.72 assign ( resid 37 and name HN ) ( resid 38 and name HN ) 3.05 1.26 1.26 assign ( resid 38 and name HN ) ( resid 39 and name HN ) 3.05 1.26 1.26 assign ( resid 39 and name HN ) ( resid 39 and name HB ) 2.78 0.99 0.99 assign ( resid 39 and name HN ) ( resid 40 and name HN ) 2.76 0.97 0.97 assign ( resid 39 and name HB ) ( resid 40 and name HN ) 3.09 1.29 1.29 assign ( resid 40 and name HN ) ( resid 40 and name HB ) 2.87 1.08 1.08 assign ( resid 40 and name HN ) ( resid 41 and name HN ) 3.14 1.35 1.35 assign ( resid 40 and name HB ) ( resid 41 and name HN ) 3.21 1.42 1.42 assign ( resid 42 and name HB2 ) ( resid 43 and name HN ) 2.82 1.02 1.02 assign ( resid 43 and name HN ) ( resid 44 and name HN ) 2.46 0.66 0.66 assign ( resid 44 and name HN ) ( resid 44 and name HB ) 2.40 0.61 0.61 assign ( resid 44 and name HN ) ( resid 46 and name HN ) 3.48 1.69 1.69 assign ( resid 43 and name HN ) ( resid 45 and name HN ) 3.27 1.47 1.47 assign ( resid 43 and name HA ) ( resid 45 and name HN ) 3.29 1.49 1.49 assign ( resid 44 and name HN ) ( resid 45 and name HN ) 2.55 0.75 0.75 assign ( resid 44 and name HB ) ( resid 45 and name HN ) 2.55 0.75 0.75 assign ( resid 45 and name HN ) ( resid 45 and name HB1 ) 2.64 0.84 0.84 assign ( resid 45 and name HN ) ( resid 45 and name HB2 ) 2.44 0.64 0.64 assign ( resid 45 and name HN ) ( resid 46 and name HN ) 2.64 0.84 0.84 assign ( resid 45 and name HN ) ( resid 47 and name HN ) 3.41 1.62 1.62 assign ( resid 44 and name HA ) ( resid 46 and name HN ) 3.50 1.71 1.71 assign ( resid 45 and name HB1 ) ( resid 46 and name HN ) 2.64 0.84 0.84 assign ( resid 45 and name HB2 ) ( resid 46 and name HN ) 2.85 1.06 1.06 assign ( resid 46 and name HN ) ( resid 46 and name HB2 ) 2.40 0.61 0.61 assign ( resid 46 and name HN ) ( resid 46 and name HB1 ) 2.51 0.72 0.72 assign ( resid 43 and name HA ) ( resid 47 and name HN ) 3.18 1.38 1.38 assign ( resid 44 and name HA ) ( resid 47 and name HN ) 3.03 1.24 1.24 assign ( resid 45 and name HA ) ( resid 47 and name HN ) 3.57 1.78 1.78 assign ( resid 46 and name HN ) ( resid 47 and name HN ) 2.49 0.70 0.70 assign ( resid 46 and name HB2 ) ( resid 47 and name HN ) 2.46 0.66 0.66 assign ( resid 47 and name HN ) ( resid 47 and name HB2 ) 2.40 0.61 0.61 assign ( resid 47 and name HN ) ( resid 47 and name HB1 ) 2.82 1.02 1.02 assign ( resid 47 and name HN ) ( resid 48 and name HN ) 2.48 0.68 0.68 assign ( resid 47 and name HN ) ( resid 49 and name HN ) 3.61 1.81 1.81 assign ( resid 44 and name HA ) ( resid 48 and name HN ) 3.20 1.40 1.40 assign ( resid 45 and name HA ) ( resid 48 and name HN ) 2.85 1.06 1.06 assign ( resid 46 and name HN ) ( resid 48 and name HN ) 3.21 1.42 1.42 assign ( resid 46 and name HA ) ( resid 48 and name HN ) 3.30 1.51 1.51 assign ( resid 47 and name HB2 ) ( resid 48 and name HN ) 2.78 0.99 0.99 assign ( resid 47 and name HB1 ) ( resid 48 and name HN ) 3.18 1.38 1.38 assign ( resid 48 and name HN ) ( resid 48 and name HB2 ) 2.42 0.63 0.63 assign ( resid 48 and name HN ) ( resid 48 and name HB1 ) 2.42 0.63 0.63 assign ( resid 48 and name HN ) ( resid 49 and name HN ) 2.48 0.68 0.68 assign ( resid 48 and name HN ) ( resid 50 and name HN ) 3.39 1.60 1.60 assign ( resid 45 and name HA ) ( resid 49 and name HN ) 3.12 1.33 1.33 assign ( resid 47 and name HA ) ( resid 49 and name HN ) 3.48 1.69 1.69 assign ( resid 48 and name HB2 ) ( resid 49 and name HN ) 2.96 1.17 1.17 assign ( resid 48 and name HB1 ) ( resid 49 and name HN ) 2.96 1.17 1.17 assign ( resid 46 and name HA ) ( resid 50 and name HN ) 2.98 1.18 1.18 assign ( resid 47 and name HA ) ( resid 50 and name HN ) 2.64 0.84 0.84 assign ( resid 48 and name HA ) ( resid 50 and name HN ) 3.90 2.10 2.10 assign ( resid 49 and name HN ) ( resid 50 and name HN ) 2.48 0.68 0.68 assign ( resid 49 and name HB* ) ( resid 50 and name HN ) 3.06 1.26 1.26 assign ( resid 50 and name HN ) ( resid 50 and name HB2 ) 2.53 0.73 0.73 assign ( resid 50 and name HN ) ( resid 50 and name HB1 ) 2.53 0.73 0.73 assign ( resid 47 and name HA ) ( resid 51 and name HN ) 2.89 1.09 1.09 assign ( resid 49 and name HN ) ( resid 51 and name HN ) 3.25 1.45 1.45 assign ( resid 49 and name HA ) ( resid 51 and name HN ) 3.34 1.54 1.54 assign ( resid 50 and name HN ) ( resid 51 and name HN ) 2.53 0.73 0.73 assign ( resid 50 and name HB2 ) ( resid 51 and name HN ) 2.62 0.82 0.82 assign ( resid 50 and name HB1 ) ( resid 51 and name HN ) 2.62 0.82 0.82 assign ( resid 48 and name HA ) ( resid 52 and name HN ) 3.30 1.51 1.51 assign ( resid 50 and name HN ) ( resid 52 and name HN ) 3.43 1.63 1.63 assign ( resid 50 and name HA ) ( resid 52 and name HN ) 3.25 1.45 1.45 assign ( resid 51 and name HN ) ( resid 52 and name HN ) 2.40 0.61 0.61 assign ( resid 51 and name HA ) ( resid 52 and name HN ) 2.67 0.88 0.88 assign ( resid 52 and name HN ) ( resid 54 and name HN ) 3.05 1.26 1.26 assign ( resid 49 and name HA ) ( resid 53 and name HN ) 3.68 1.89 1.89 assign ( resid 50 and name HA ) ( resid 53 and name HN ) 2.85 1.06 1.06 assign ( resid 51 and name HN ) ( resid 53 and name HN ) 3.68 1.89 1.89 assign ( resid 52 and name HN ) ( resid 53 and name HN ) 2.48 0.68 0.68 assign ( resid 53 and name HN ) ( resid 53 and name HB2 ) 2.48 0.68 0.68 assign ( resid 53 and name HN ) ( resid 53 and name HB1 ) 2.48 0.68 0.68 assign ( resid 53 and name HN ) ( resid 54 and name HN ) 2.39 0.59 0.59 assign ( resid 53 and name HN ) ( resid 55 and name HN ) 3.18 1.38 1.38 assign ( resid 50 and name HA ) ( resid 54 and name HN ) 2.94 1.15 1.15 assign ( resid 53 and name HB2 ) ( resid 54 and name HN ) 2.96 1.17 1.17 assign ( resid 53 and name HB1 ) ( resid 54 and name HN ) 2.96 1.17 1.17 assign ( resid 54 and name HN ) ( resid 54 and name HB2 ) 2.48 0.68 0.68 assign ( resid 54 and name HN ) ( resid 54 and name HB1 ) 2.48 0.68 0.68 assign ( resid 54 and name HN ) ( resid 55 and name HN ) 2.53 0.73 0.73 assign ( resid 54 and name HN ) ( resid 56 and name HN ) 3.34 1.54 1.54 assign ( resid 51 and name HA ) ( resid 55 and name HN ) 3.29 1.49 1.49 assign ( resid 54 and name HB2 ) ( resid 55 and name HN ) 2.96 1.17 1.17 assign ( resid 54 and name HB1 ) ( resid 55 and name HN ) 2.96 1.17 1.17 assign ( resid 55 and name HN ) ( resid 57 and name HN ) 3.68 1.89 1.89 assign ( resid 52 and name HA ) ( resid 56 and name HN ) 3.20 1.40 1.40 assign ( resid 53 and name HA ) ( resid 56 and name HN ) 2.78 0.99 0.99 assign ( resid 54 and name HA ) ( resid 56 and name HN ) 3.20 1.40 1.40 assign ( resid 55 and name HN ) ( resid 56 and name HN ) 2.49 0.70 0.70 assign ( resid 56 and name HN ) ( resid 56 and name HB2 ) 2.51 0.72 0.72 assign ( resid 56 and name HN ) ( resid 56 and name HB1 ) 2.51 0.72 0.72 assign ( resid 56 and name HN ) ( resid 58 and name HN ) 3.39 1.60 1.60 assign ( resid 53 and name HA ) ( resid 57 and name HN ) 3.75 1.96 1.96 assign ( resid 54 and name HA ) ( resid 57 and name HN ) 3.14 1.35 1.35 assign ( resid 55 and name HA ) ( resid 57 and name HN ) 3.68 1.89 1.89 assign ( resid 56 and name HN ) ( resid 57 and name HN ) 2.55 0.75 0.75 assign ( resid 56 and name HB2 ) ( resid 57 and name HN ) 2.82 1.02 1.02 assign ( resid 57 and name HN ) ( resid 58 and name HN ) 2.57 0.77 0.77 assign ( resid 54 and name HA ) ( resid 58 and name HN ) 3.70 1.90 1.90 assign ( resid 57 and name HN ) ( resid 59 and name HN ) 3.38 1.58 1.58 assign ( resid 58 and name HN ) ( resid 59 and name HN ) 2.51 0.72 0.72 assign ( resid 59 and name HN ) ( resid 59 and name HB1 ) 2.55 0.75 0.75 assign ( resid 59 and name HN ) ( resid 59 and name HB2 ) 2.71 0.91 0.91 assign ( resid 59 and name HN ) ( resid 61 and name HN ) 3.27 1.47 1.47 assign ( resid 56 and name HA ) ( resid 60 and name HN ) 3.50 1.71 1.71 assign ( resid 57 and name HA2 ) ( resid 60 and name HN ) 3.43 1.63 1.63 assign ( resid 57 and name HA1 ) ( resid 60 and name HN ) 3.43 1.63 1.63 assign ( resid 58 and name HN ) ( resid 60 and name HN ) 3.45 1.65 1.65 assign ( resid 58 and name HA ) ( resid 60 and name HN ) 3.52 1.72 1.72 assign ( resid 59 and name HN ) ( resid 60 and name HN ) 2.44 0.64 0.64 assign ( resid 59 and name HB1 ) ( resid 60 and name HN ) 2.62 0.82 0.82 assign ( resid 59 and name HB2 ) ( resid 60 and name HN ) 2.60 0.81 0.81 assign ( resid 60 and name HN ) ( resid 60 and name HB2 ) 2.46 0.66 0.66 assign ( resid 60 and name HN ) ( resid 60 and name HB1 ) 2.46 0.66 0.66 assign ( resid 60 and name HN ) ( resid 61 and name HN ) 2.44 0.64 0.64 assign ( resid 60 and name HN ) ( resid 62 and name HN ) 3.25 1.45 1.45 assign ( resid 57 and name HA1 ) ( resid 61 and name HN ) 3.90 2.10 2.10 assign ( resid 58 and name HA ) ( resid 61 and name HN ) 2.96 1.17 1.17 assign ( resid 60 and name HB2 ) ( resid 61 and name HN ) 2.80 1.00 1.00 assign ( resid 60 and name HB1 ) ( resid 61 and name HN ) 2.80 1.00 1.00 assign ( resid 61 and name HN ) ( resid 62 and name HN ) 2.58 0.79 0.79 assign ( resid 58 and name HA ) ( resid 62 and name HN ) 3.36 1.56 1.56 assign ( resid 59 and name HA ) ( resid 62 and name HN ) 3.07 1.27 1.27 assign ( resid 61 and name HB2 ) ( resid 62 and name HN ) 2.84 1.04 1.04 assign ( resid 61 and name HB1 ) ( resid 62 and name HN ) 2.84 1.04 1.04 assign ( resid 62 and name HN ) ( resid 62 and name HB ) 2.78 0.99 0.99 assign ( resid 59 and name HA ) ( resid 63 and name HN ) 3.43 1.63 1.63 assign ( resid 60 and name HA ) ( resid 63 and name HN ) 2.85 1.06 1.06 assign ( resid 61 and name HN ) ( resid 63 and name HN ) 3.14 1.35 1.35 assign ( resid 61 and name HA ) ( resid 63 and name HN ) 3.27 1.47 1.47 assign ( resid 62 and name HN ) ( resid 63 and name HN ) 2.57 0.77 0.77 assign ( resid 62 and name HB ) ( resid 63 and name HN ) 3.07 1.27 1.27 assign ( resid 60 and name HA ) ( resid 64 and name HN ) 3.21 1.42 1.42 assign ( resid 61 and name HA ) ( resid 64 and name HN ) 3.00 1.20 1.20 assign ( resid 63 and name HN ) ( resid 64 and name HN ) 2.40 0.61 0.61 assign ( resid 64 and name HN ) ( resid 65 and name HN ) 2.53 0.73 0.73 assign ( resid 64 and name HB ) ( resid 65 and name HN ) 2.66 0.86 0.86 assign ( resid 69 and name HB2 ) ( resid 70 and name HN ) 3.21 1.42 1.42 assign ( resid 69 and name HB1 ) ( resid 70 and name HN ) 3.41 1.62 1.62 assign ( resid 70 and name HN ) ( resid 70 and name HB ) 2.62 0.82 0.82 assign ( resid 70 and name HN ) ( resid 71 and name HN ) 3.25 1.45 1.45 assign ( resid 70 and name HA ) ( resid 71 and name HN ) 2.55 0.75 0.75 assign ( resid 71 and name HN ) ( resid 71 and name HB1 ) 2.85 1.06 1.06 assign ( resid 72 and name HN ) ( resid 73 and name HN ) 3.90 2.10 2.10 assign ( resid 72 and name HB1 ) ( resid 73 and name HN ) 3.16 1.36 1.36 assign ( resid 73 and name HN ) ( resid 73 and name HB2 ) 2.93 1.13 1.13 assign ( resid 73 and name HN ) ( resid 73 and name HB1 ) 2.93 1.13 1.13 assign ( resid 73 and name HN ) ( resid 74 and name HN ) 3.05 1.26 1.26 assign ( resid 73 and name HB2 ) ( resid 74 and name HN ) 2.87 1.08 1.08 assign ( resid 73 and name HB1 ) ( resid 74 and name HN ) 2.87 1.08 1.08 assign ( resid 74 and name HN ) ( resid 74 and name HB2 ) 2.69 0.90 0.90 assign ( resid 74 and name HN ) ( resid 74 and name HB1 ) 2.66 0.86 0.86 assign ( resid 72 and name HA ) ( resid 75 and name HN ) 3.02 1.22 1.22 assign ( resid 74 and name HN ) ( resid 75 and name HN ) 2.62 0.82 0.82 assign ( resid 74 and name HB2 ) ( resid 75 and name HN ) 2.89 1.09 1.09 assign ( resid 74 and name HB1 ) ( resid 75 and name HN ) 2.82 1.02 1.02 assign ( resid 75 and name HN ) ( resid 75 and name HB ) 2.39 0.59 0.59 assign ( resid 72 and name HA ) ( resid 76 and name HN ) 3.74 1.94 1.94 assign ( resid 74 and name HA ) ( resid 76 and name HN ) 3.09 1.29 1.29 assign ( resid 75 and name HN ) ( resid 76 and name HN ) 2.49 0.70 0.70 assign ( resid 75 and name HB ) ( resid 76 and name HN ) 2.73 0.93 0.93 assign ( resid 73 and name HA ) ( resid 77 and name HN ) 3.27 1.47 1.47 assign ( resid 74 and name HA ) ( resid 77 and name HN ) 2.93 1.13 1.13 assign ( resid 75 and name HN ) ( resid 77 and name HN ) 3.52 1.72 1.72 assign ( resid 75 and name HA ) ( resid 77 and name HN ) 3.38 1.58 1.58 assign ( resid 76 and name HN ) ( resid 77 and name HN ) 2.51 0.72 0.72 assign ( resid 77 and name HN ) ( resid 78 and name HN ) 2.40 0.61 0.61 assign ( resid 77 and name HN ) ( resid 79 and name HN ) 3.20 1.40 1.40 assign ( resid 74 and name HA ) ( resid 78 and name HN ) 3.43 1.63 1.63 assign ( resid 75 and name HA ) ( resid 78 and name HN ) 2.69 0.90 0.90 assign ( resid 76 and name HN ) ( resid 78 and name HN ) 3.20 1.40 1.40 assign ( resid 76 and name HA ) ( resid 78 and name HN ) 3.45 1.65 1.65 assign ( resid 78 and name HN ) ( resid 78 and name HB ) 2.33 0.54 0.54 assign ( resid 78 and name HN ) ( resid 79 and name HN ) 2.49 0.70 0.70 assign ( resid 78 and name HN ) ( resid 80 and name HN ) 3.30 1.51 1.51 assign ( resid 75 and name HA ) ( resid 79 and name HN ) 3.30 1.51 1.51 assign ( resid 77 and name HA ) ( resid 79 and name HN ) 3.90 2.10 2.10 assign ( resid 78 and name HB ) ( resid 79 and name HN ) 2.49 0.70 0.70 assign ( resid 79 and name HN ) ( resid 79 and name HB2 ) 2.40 0.61 0.61 assign ( resid 79 and name HN ) ( resid 79 and name HB1 ) 2.40 0.61 0.61 assign ( resid 79 and name HN ) ( resid 80 and name HN ) 2.48 0.68 0.68 assign ( resid 77 and name HA ) ( resid 80 and name HN ) 3.02 1.22 1.22 assign ( resid 79 and name HB2 ) ( resid 80 and name HN ) 2.80 1.00 1.00 assign ( resid 79 and name HB1 ) ( resid 80 and name HN ) 2.80 1.00 1.00 assign ( resid 80 and name HN ) ( resid 80 and name HB2 ) 2.46 0.66 0.66 assign ( resid 80 and name HN ) ( resid 80 and name HB1 ) 2.46 0.66 0.66 assign ( resid 80 and name HN ) ( resid 81 and name HN ) 2.44 0.64 0.64 assign ( resid 79 and name HN ) ( resid 81 and name HN ) 3.41 1.62 1.62 assign ( resid 80 and name HB2 ) ( resid 81 and name HN ) 3.02 1.22 1.22 assign ( resid 80 and name HB1 ) ( resid 81 and name HN ) 3.02 1.22 1.22 assign ( resid 81 and name HN ) ( resid 81 and name HB2 ) 2.75 0.95 0.95 assign ( resid 81 and name HN ) ( resid 81 and name HB1 ) 2.75 0.95 0.95 assign ( resid 78 and name HA ) ( resid 82 and name HN ) 3.25 1.45 1.45 assign ( resid 79 and name HA ) ( resid 82 and name HN ) 3.16 1.36 1.36 assign ( resid 80 and name HN ) ( resid 82 and name HN ) 3.36 1.56 1.56 assign ( resid 81 and name HN ) ( resid 82 and name HN ) 2.53 0.73 0.73 assign ( resid 81 and name HB2 ) ( resid 82 and name HN ) 3.30 1.51 1.51 assign ( resid 81 and name HB1 ) ( resid 82 and name HN ) 3.30 1.51 1.51 assign ( resid 82 and name HN ) ( resid 82 and name HB1 ) 2.58 0.79 0.79 assign ( resid 82 and name HN ) ( resid 82 and name HB2 ) 2.48 0.68 0.68 assign ( resid 80 and name HA ) ( resid 83 and name HN ) 3.39 1.60 1.60 assign ( resid 81 and name HN ) ( resid 83 and name HN ) 3.30 1.51 1.51 assign ( resid 81 and name HA ) ( resid 83 and name HN ) 3.48 1.69 1.69 assign ( resid 82 and name HN ) ( resid 83 and name HN ) 2.57 0.77 0.77 assign ( resid 82 and name HB1 ) ( resid 83 and name HN ) 2.69 0.90 0.90 assign ( resid 82 and name HB2 ) ( resid 83 and name HN ) 3.07 1.27 1.27 assign ( resid 83 and name HN ) ( resid 83 and name HB2 ) 2.44 0.64 0.64 assign ( resid 83 and name HN ) ( resid 85 and name HN ) 3.27 1.47 1.47 assign ( resid 80 and name HA ) ( resid 84 and name HN ) 3.27 1.47 1.47 assign ( resid 81 and name HA ) ( resid 84 and name HN ) 2.89 1.09 1.09 assign ( resid 82 and name HN ) ( resid 84 and name HN ) 3.25 1.45 1.45 assign ( resid 83 and name HN ) ( resid 84 and name HN ) 2.46 0.66 0.66 assign ( resid 83 and name HB1 ) ( resid 84 and name HN ) 2.73 0.93 0.93 assign ( resid 83 and name HB2 ) ( resid 84 and name HN ) 2.64 0.84 0.84 assign ( resid 82 and name HA ) ( resid 85 and name HN ) 3.02 1.22 1.22 assign ( resid 83 and name HA ) ( resid 85 and name HN ) 3.45 1.65 1.65 assign ( resid 84 and name HN ) ( resid 85 and name HN ) 2.48 0.68 0.68 assign ( resid 84 and name HB* ) ( resid 85 and name HN ) 3.10 1.30 1.30 assign ( resid 85 and name HN ) ( resid 85 and name HB2 ) 2.42 0.63 0.63 assign ( resid 85 and name HN ) ( resid 85 and name HB1 ) 2.62 0.82 0.82 assign ( resid 85 and name HN ) ( resid 87 and name HN ) 3.18 1.38 1.38 assign ( resid 82 and name HA ) ( resid 86 and name HN ) 3.30 1.51 1.51 assign ( resid 83 and name HA ) ( resid 86 and name HN ) 2.78 0.99 0.99 assign ( resid 84 and name HA ) ( resid 86 and name HN ) 3.30 1.51 1.51 assign ( resid 85 and name HN ) ( resid 86 and name HN ) 2.66 0.86 0.86 assign ( resid 85 and name HB2 ) ( resid 86 and name HN ) 2.71 0.91 0.91 assign ( resid 86 and name HN ) ( resid 86 and name HB ) 2.39 0.59 0.59 assign ( resid 86 and name HN ) ( resid 87 and name HN ) 2.55 0.75 0.75 assign ( resid 84 and name HA ) ( resid 87 and name HN ) 3.05 1.26 1.26 assign ( resid 86 and name HB ) ( resid 87 and name HN ) 2.67 0.88 0.88 assign ( resid 87 and name HN ) ( resid 87 and name HB2 ) 2.55 0.75 0.75 assign ( resid 85 and name HA ) ( resid 88 and name HN ) 3.52 1.72 1.72 assign ( resid 86 and name HN ) ( resid 88 and name HN ) 3.90 2.10 2.10 assign ( resid 87 and name HN ) ( resid 88 and name HN ) 2.87 1.08 1.08 assign ( resid 87 and name HB1 ) ( resid 88 and name HN ) 2.76 0.97 0.97 assign ( resid 87 and name HB2 ) ( resid 88 and name HN ) 3.11 1.31 1.31 assign ( resid 88 and name HN ) ( resid 88 and name HB1 ) 2.89 1.09 1.09 assign ( resid 88 and name HN ) ( resid 88 and name HB2 ) 2.87 1.08 1.08 assign ( resid 85 and name HA ) ( resid 89 and name HN ) 3.36 1.56 1.56 assign ( resid 87 and name HN ) ( resid 89 and name HN ) 3.23 1.44 1.44 assign ( resid 88 and name HN ) ( resid 89 and name HN ) 2.87 1.08 1.08 assign ( resid 88 and name HB1 ) ( resid 89 and name HN ) 3.65 1.85 1.85 assign ( resid 88 and name HB2 ) ( resid 89 and name HN ) 3.16 1.36 1.36 assign ( resid 89 and name HN ) ( resid 90 and name HN ) 2.84 1.04 1.04 assign ( resid 88 and name HA ) ( resid 90 and name HN ) 3.38 1.58 1.58 assign ( resid 90 and name HN ) ( resid 90 and name HB1 ) 2.94 1.15 1.15 assign ( resid 90 and name HN ) ( resid 90 and name HB2 ) 2.67 0.88 0.88 assign ( resid 90 and name HN ) ( resid 91 and name HN ) 2.48 0.68 0.68 assign ( resid 90 and name HB1 ) ( resid 91 and name HN ) 3.74 1.94 1.94 assign ( resid 90 and name HB2 ) ( resid 91 and name HN ) 3.32 1.53 1.53 assign ( resid 91 and name HN ) ( resid 92 and name HN ) 2.67 0.88 0.88 assign ( resid 91 and name HB ) ( resid 92 and name HN ) 3.70 1.90 1.90 assign ( resid 92 and name HN ) ( resid 93 and name HN ) 3.02 1.22 1.22 assign ( resid 93 and name HN ) ( resid 94 and name HN ) 2.91 1.11 1.11 assign ( resid 98 and name HN ) ( resid 99 and name HN ) 2.96 1.17 1.17 assign ( resid 99 and name HN ) ( resid 99 and name HB2 ) 2.78 0.99 0.99 assign ( resid 99 and name HN ) ( resid 99 and name HB1 ) 2.62 0.82 0.82 assign ( resid 99 and name HN ) ( resid 100 and name HN ) 2.76 0.97 0.97 assign ( resid 97 and name HA ) ( resid 100 and name HN ) 3.09 1.29 1.29 assign ( resid 98 and name HA ) ( resid 100 and name HN ) 3.54 1.74 1.74 assign ( resid 99 and name HB2 ) ( resid 100 and name HN ) 3.18 1.38 1.38 assign ( resid 99 and name HB1 ) ( resid 100 and name HN ) 3.02 1.22 1.22 assign ( resid 100 and name HN ) ( resid 100 and name HB2 ) 2.66 0.86 0.86 assign ( resid 100 and name HN ) ( resid 100 and name HB1 ) 2.66 0.86 0.86 assign ( resid 100 and name HN ) ( resid 102 and name HN ) 3.27 1.47 1.47 assign ( resid 97 and name HA ) ( resid 101 and name HN ) 3.43 1.63 1.63 assign ( resid 98 and name HA ) ( resid 101 and name HN ) 3.12 1.33 1.33 assign ( resid 99 and name HN ) ( resid 101 and name HN ) 3.56 1.76 1.76 assign ( resid 100 and name HN ) ( resid 101 and name HN ) 2.66 0.86 0.86 assign ( resid 100 and name HB2 ) ( resid 101 and name HN ) 2.75 0.95 0.95 assign ( resid 100 and name HB1 ) ( resid 101 and name HN ) 2.75 0.95 0.95 assign ( resid 101 and name HN ) ( resid 101 and name HB2 ) 2.64 0.84 0.84 assign ( resid 101 and name HN ) ( resid 101 and name HB1 ) 2.55 0.75 0.75 assign ( resid 101 and name HN ) ( resid 102 and name HN ) 2.62 0.82 0.82 assign ( resid 98 and name HA ) ( resid 102 and name HN ) 3.90 2.10 2.10 assign ( resid 100 and name HA ) ( resid 102 and name HN ) 3.65 1.85 1.85 assign ( resid 101 and name HB2 ) ( resid 102 and name HN ) 2.75 0.95 0.95 assign ( resid 101 and name HB1 ) ( resid 102 and name HN ) 2.78 0.99 0.99 assign ( resid 102 and name HN ) ( resid 102 and name HB ) 2.53 0.73 0.73 assign ( resid 102 and name HN ) ( resid 104 and name HN ) 3.66 1.87 1.87 assign ( resid 99 and name HA ) ( resid 103 and name HN ) 3.11 1.31 1.31 assign ( resid 100 and name HA ) ( resid 103 and name HN ) 2.73 0.93 0.93 assign ( resid 101 and name HN ) ( resid 103 and name HN ) 3.66 1.87 1.87 assign ( resid 102 and name HN ) ( resid 103 and name HN ) 2.48 0.68 0.68 assign ( resid 102 and name HB ) ( resid 103 and name HN ) 2.71 0.91 0.91 assign ( resid 103 and name HN ) ( resid 103 and name HB ) 2.44 0.64 0.64 assign ( resid 103 and name HN ) ( resid 104 and name HN ) 2.49 0.70 0.70 assign ( resid 103 and name HB ) ( resid 104 and name HN ) 2.66 0.86 0.86 assign ( resid 104 and name HN ) ( resid 104 and name HB2 ) 2.67 0.88 0.88 assign ( resid 104 and name HN ) ( resid 104 and name HB1 ) 2.67 0.88 0.88 assign ( resid 101 and name HA ) ( resid 105 and name HN ) 2.85 1.06 1.06 assign ( resid 102 and name HA ) ( resid 105 and name HN ) 2.73 0.93 0.93 assign ( resid 103 and name HN ) ( resid 105 and name HN ) 3.27 1.47 1.47 assign ( resid 103 and name HA ) ( resid 105 and name HN ) 3.56 1.76 1.76 assign ( resid 104 and name HN ) ( resid 105 and name HN ) 2.40 0.61 0.61 assign ( resid 104 and name HB2 ) ( resid 105 and name HN ) 2.69 0.90 0.90 assign ( resid 104 and name HB1 ) ( resid 105 and name HN ) 2.69 0.90 0.90 assign ( resid 105 and name HN ) ( resid 106 and name HN ) 2.44 0.64 0.64 assign ( resid 105 and name HN ) ( resid 107 and name HN ) 3.90 2.10 2.10 assign ( resid 102 and name HA ) ( resid 106 and name HN ) 2.94 1.15 1.15 assign ( resid 103 and name HA ) ( resid 106 and name HN ) 3.16 1.36 1.36 assign ( resid 104 and name HN ) ( resid 106 and name HN ) 3.36 1.56 1.56 assign ( resid 104 and name HA ) ( resid 106 and name HN ) 3.57 1.78 1.78 assign ( resid 106 and name HN ) ( resid 106 and name HB ) 2.35 0.55 0.55 assign ( resid 106 and name HN ) ( resid 107 and name HN ) 2.51 0.72 0.72 assign ( resid 103 and name HA ) ( resid 107 and name HN ) 3.59 1.80 1.80 assign ( resid 106 and name HB ) ( resid 107 and name HN ) 2.51 0.72 0.72 assign ( resid 107 and name HN ) ( resid 107 and name HB1 ) 2.69 0.90 0.90 assign ( resid 107 and name HN ) ( resid 107 and name HB2 ) 2.57 0.77 0.77 assign ( resid 104 and name HA ) ( resid 108 and name HN ) 2.75 0.95 0.95 assign ( resid 106 and name HN ) ( resid 108 and name HN ) 3.54 1.74 1.74 assign ( resid 107 and name HN ) ( resid 108 and name HN ) 2.46 0.66 0.66 assign ( resid 107 and name HB1 ) ( resid 108 and name HN ) 2.75 0.95 0.95 assign ( resid 107 and name HB2 ) ( resid 108 and name HN ) 2.75 0.95 0.95 assign ( resid 108 and name HN ) ( resid 108 and name HB1 ) 2.46 0.66 0.66 assign ( resid 108 and name HN ) ( resid 108 and name HB2 ) 2.42 0.63 0.63 assign ( resid 105 and name HA ) ( resid 109 and name HN ) 3.43 1.63 1.63 assign ( resid 106 and name HA ) ( resid 109 and name HN ) 3.05 1.26 1.26 assign ( resid 107 and name HN ) ( resid 109 and name HN ) 3.68 1.89 1.89 assign ( resid 107 and name HA ) ( resid 109 and name HN ) 3.29 1.49 1.49 assign ( resid 108 and name HN ) ( resid 109 and name HN ) 2.55 0.75 0.75 assign ( resid 108 and name HB1 ) ( resid 109 and name HN ) 2.53 0.73 0.73 assign ( resid 108 and name HB2 ) ( resid 109 and name HN ) 2.85 1.06 1.06 assign ( resid 109 and name HN ) ( resid 109 and name HB ) 2.58 0.79 0.79 assign ( resid 109 and name HN ) ( resid 110 and name HN ) 2.62 0.82 0.82 assign ( resid 109 and name HN ) ( resid 111 and name HN ) 3.81 2.01 2.01 assign ( resid 106 and name HA ) ( resid 110 and name HN ) 3.56 1.76 1.76 assign ( resid 108 and name HN ) ( resid 110 and name HN ) 3.72 1.92 1.92 assign ( resid 108 and name HA ) ( resid 110 and name HN ) 3.36 1.56 1.56 assign ( resid 109 and name HB ) ( resid 110 and name HN ) 3.03 1.24 1.24 assign ( resid 110 and name HN ) ( resid 110 and name HB2 ) 2.75 0.95 0.95 assign ( resid 110 and name HN ) ( resid 110 and name HB1 ) 2.75 0.95 0.95 assign ( resid 110 and name HN ) ( resid 111 and name HN ) 2.69 0.90 0.90 assign ( resid 107 and name HA ) ( resid 111 and name HN ) 3.21 1.42 1.42 assign ( resid 108 and name HA ) ( resid 111 and name HN ) 3.02 1.22 1.22 assign ( resid 109 and name HA ) ( resid 111 and name HN ) 3.41 1.62 1.62 assign ( resid 110 and name HB2 ) ( resid 111 and name HN ) 2.75 0.95 0.95 assign ( resid 110 and name HB1 ) ( resid 111 and name HN ) 2.75 0.95 0.95 assign ( resid 111 and name HN ) ( resid 111 and name HB2 ) 2.71 0.91 0.91 assign ( resid 111 and name HN ) ( resid 111 and name HB1 ) 2.71 0.91 0.91 assign ( resid 111 and name HN ) ( resid 113 and name HN ) 3.61 1.81 1.81 assign ( resid 108 and name HA ) ( resid 112 and name HN ) 3.29 1.49 1.49 assign ( resid 109 and name HA ) ( resid 112 and name HN ) 2.91 1.11 1.11 assign ( resid 110 and name HN ) ( resid 112 and name HN ) 3.12 1.33 1.33 assign ( resid 110 and name HA ) ( resid 112 and name HN ) 3.02 1.22 1.22 assign ( resid 111 and name HN ) ( resid 112 and name HN ) 2.42 0.63 0.63 assign ( resid 111 and name HB2 ) ( resid 112 and name HN ) 2.85 1.06 1.06 assign ( resid 111 and name HB1 ) ( resid 112 and name HN ) 2.85 1.06 1.06 assign ( resid 112 and name HN ) ( resid 114 and name HN ) 2.96 1.17 1.17 assign ( resid 109 and name HA ) ( resid 113 and name HN ) 3.03 1.24 1.24 assign ( resid 110 and name HA ) ( resid 113 and name HN ) 2.78 0.99 0.99 assign ( resid 111 and name HA ) ( resid 113 and name HN ) 3.29 1.49 1.49 assign ( resid 112 and name HN ) ( resid 113 and name HN ) 2.46 0.66 0.66 assign ( resid 113 and name HN ) ( resid 113 and name HB ) 2.35 0.55 0.55 assign ( resid 113 and name HN ) ( resid 114 and name HN ) 2.35 0.55 0.55 assign ( resid 110 and name HA ) ( resid 114 and name HN ) 3.14 1.35 1.35 assign ( resid 111 and name HA ) ( resid 114 and name HN ) 2.85 1.06 1.06 assign ( resid 112 and name HA ) ( resid 114 and name HN ) 3.36 1.56 1.56 assign ( resid 113 and name HB ) ( resid 114 and name HN ) 2.82 1.02 1.02 assign ( resid 114 and name HN ) ( resid 114 and name HB2 ) 2.55 0.75 0.75 assign ( resid 114 and name HN ) ( resid 114 and name HB1 ) 2.53 0.73 0.73 assign ( resid 111 and name HA ) ( resid 115 and name HN ) 3.18 1.38 1.38 assign ( resid 112 and name HA ) ( resid 115 and name HN ) 2.87 1.08 1.08 assign ( resid 113 and name HN ) ( resid 115 and name HN ) 3.41 1.62 1.62 assign ( resid 113 and name HA ) ( resid 115 and name HN ) 3.86 2.07 2.07 assign ( resid 114 and name HN ) ( resid 115 and name HN ) 2.40 0.61 0.61 assign ( resid 114 and name HB2 ) ( resid 115 and name HN ) 2.82 1.02 1.02 assign ( resid 114 and name HB1 ) ( resid 115 and name HN ) 2.51 0.72 0.72 assign ( resid 115 and name HN ) ( resid 115 and name HB2 ) 2.55 0.75 0.75 assign ( resid 115 and name HN ) ( resid 115 and name HB1 ) 2.55 0.75 0.75 assign ( resid 115 and name HN ) ( resid 116 and name HN ) 2.57 0.77 0.77 assign ( resid 115 and name HN ) ( resid 117 and name HN ) 3.32 1.53 1.53 assign ( resid 112 and name HA ) ( resid 116 and name HN ) 3.86 2.07 2.07 assign ( resid 114 and name HN ) ( resid 116 and name HN ) 3.27 1.47 1.47 assign ( resid 115 and name HB2 ) ( resid 116 and name HN ) 2.96 1.17 1.17 assign ( resid 115 and name HB1 ) ( resid 116 and name HN ) 2.96 1.17 1.17 assign ( resid 116 and name HN ) ( resid 116 and name HB2 ) 2.73 0.93 0.93 assign ( resid 116 and name HN ) ( resid 116 and name HB1 ) 2.73 0.93 0.93 assign ( resid 113 and name HA ) ( resid 117 and name HN ) 3.14 1.35 1.35 assign ( resid 114 and name HA ) ( resid 117 and name HN ) 3.21 1.42 1.42 assign ( resid 115 and name HA ) ( resid 117 and name HN ) 3.23 1.44 1.44 assign ( resid 116 and name HN ) ( resid 117 and name HN ) 2.67 0.88 0.88 assign ( resid 116 and name HB2 ) ( resid 117 and name HN ) 2.96 1.17 1.17 assign ( resid 116 and name HB1 ) ( resid 117 and name HN ) 2.96 1.17 1.17 assign ( resid 114 and name HA ) ( resid 118 and name HN ) 3.47 1.67 1.67 assign ( resid 116 and name HN ) ( resid 118 and name HN ) 3.36 1.56 1.56 assign ( resid 117 and name HN ) ( resid 118 and name HN ) 2.48 0.68 0.68 assign ( resid 117 and name HB ) ( resid 118 and name HN ) 2.58 0.79 0.79 assign ( resid 115 and name HA ) ( resid 119 and name HN ) 3.14 1.35 1.35 assign ( resid 116 and name HA ) ( resid 119 and name HN ) 3.48 1.69 1.69 assign ( resid 117 and name HN ) ( resid 119 and name HN ) 3.21 1.42 1.42 assign ( resid 117 and name HA ) ( resid 119 and name HN ) 3.52 1.72 1.72 assign ( resid 118 and name HN ) ( resid 119 and name HN ) 2.46 0.66 0.66 assign ( resid 119 and name HN ) ( resid 119 and name HB2 ) 2.44 0.64 0.64 assign ( resid 119 and name HN ) ( resid 119 and name HB1 ) 2.58 0.79 0.79 assign ( resid 23 and name HB2 ) ( resid 25 and name HN ) 3.70 1.90 1.90 assign ( resid 40 and name HA ) ( resid 43 and name HN ) 3.32 1.53 1.53 assign ( resid 41 and name HA ) ( resid 44 and name HN ) 3.21 1.42 1.42 assign ( resid 42 and name HA ) ( resid 45 and name HN ) 3.05 1.26 1.26 assign ( resid 48 and name HN ) ( resid 49 and name HB* ) 3.91 2.11 2.11 assign ( resid 56 and name HN ) ( resid 59 and name HN ) 3.43 1.63 1.63 assign ( resid 59 and name HN ) ( resid 62 and name HN ) 3.45 1.65 1.65 assign ( resid 61 and name HA ) ( resid 65 and name HN ) 3.20 1.40 1.40 assign ( resid 63 and name HA ) ( resid 65 and name HN ) 3.47 1.67 1.67 assign ( resid 70 and name HN ) ( resid 112 and name HA ) 3.54 1.74 1.74 assign ( resid 71 and name HN ) ( resid 74 and name HB2 ) 2.66 0.86 0.86 assign ( resid 71 and name HN ) ( resid 74 and name HB1 ) 2.78 0.99 0.99 assign ( resid 76 and name HB* ) ( resid 78 and name HN ) 3.91 2.11 2.11 assign ( resid 82 and name HN ) ( resid 84 and name HB* ) 4.03 2.24 2.24 assign ( resid 89 and name HN ) ( resid 91 and name HN ) 3.34 1.54 1.54 assign ( resid 90 and name HN ) ( resid 92 and name HN ) 3.27 1.47 1.47 assign ( resid 88 and name HA ) ( resid 91 and name HN ) 2.89 1.09 1.09 assign ( resid 88 and name HA ) ( resid 92 and name HN ) 2.96 1.17 1.17 assign ( resid 88 and name HA ) ( resid 93 and name HN ) 3.12 1.33 1.33 assign ( resid 111 and name HN ) ( resid 114 and name HB1 ) 3.56 1.76 1.76 assign ( resid 112 and name HN ) ( resid 113 and name HB ) 3.72 1.92 1.92 assign ( resid 113 and name HN ) ( resid 114 and name HB1 ) 3.21 1.42 1.42 assign ( resid 116 and name HN ) ( resid 119 and name HB1 ) 3.27 1.47 1.47 assign ( resid 63 and name HN ) ( resid 65 and name HN ) 3.54 1.74 1.74 assign ( resid 37 and name HA ) ( resid 41 and name HN ) 3.57 1.78 1.78 assign ( resid 36 and name HA ) ( resid 40 and name HN ) 3.52 1.72 1.72 assign ( resid 7 and name HG ) ( resid 8 and name HN ) 3.39 1.60 1.60 assign ( resid 8 and name HN ) ( resid 8 and name HG2 ) 3.09 1.29 1.29 assign ( resid 8 and name HN ) ( resid 8 and name HG1 ) 3.09 1.29 1.29 assign ( resid 8 and name HG2 ) ( resid 9 and name HN ) 3.61 1.81 1.81 assign ( resid 8 and name HG1 ) ( resid 9 and name HN ) 3.61 1.81 1.81 assign ( resid 9 and name HN ) ( resid 9 and name HG2 ) 3.43 1.63 1.63 assign ( resid 9 and name HN ) ( resid 9 and name HG1 ) 3.43 1.63 1.63 assign ( resid 11 and name HG2 ) ( resid 12 and name HN ) 3.90 2.10 2.10 assign ( resid 12 and name HN ) ( resid 12 and name HG2 ) 3.29 1.49 1.49 assign ( resid 12 and name HB2 ) ( resid 12 and name HE21 ) 3.90 2.10 2.10 assign ( resid 12 and name HB1 ) ( resid 12 and name HE21 ) 3.90 2.10 2.10 assign ( resid 12 and name HB2 ) ( resid 12 and name HE22 ) 3.90 2.10 2.10 assign ( resid 12 and name HB1 ) ( resid 12 and name HE22 ) 3.90 2.10 2.10 assign ( resid 13 and name HN ) ( resid 13 and name HG* ) 4.09 2.29 2.29 assign ( resid 14 and name HN ) ( resid 14 and name HG1* ) 4.34 2.54 2.54 assign ( resid 14 and name HG1* ) ( resid 15 and name HN ) 4.34 2.54 2.54 assign ( resid 15 and name HG1 ) ( resid 16 and name HN ) 3.70 1.90 1.90 assign ( resid 18 and name HG2 ) ( resid 19 and name HN ) 3.90 2.10 2.10 assign ( resid 19 and name HG2 ) ( resid 20 and name HN ) 3.90 2.10 2.10 assign ( resid 19 and name HG1 ) ( resid 20 and name HN ) 3.90 2.10 2.10 assign ( resid 19 and name HD* ) ( resid 20 and name HN ) 4.34 2.54 2.54 assign ( resid 23 and name HN ) ( resid 23 and name HG* ) 4.03 2.24 2.24 assign ( resid 23 and name HG* ) ( resid 24 and name HN ) 4.34 2.54 2.54 assign ( resid 24 and name HD* ) ( resid 25 and name HN ) 4.96 3.17 3.17 assign ( resid 25 and name HN ) ( resid 25 and name HG* ) 3.91 2.11 2.11 assign ( resid 37 and name HD* ) ( resid 38 and name HN ) 4.96 3.17 3.17 assign ( resid 38 and name HG2 ) ( resid 39 and name HN ) 3.90 2.10 2.10 assign ( resid 40 and name HN ) ( resid 40 and name HG12 ) 3.90 2.10 2.10 assign ( resid 40 and name HN ) ( resid 40 and name HG11 ) 3.90 2.10 2.10 assign ( resid 45 and name HN ) ( resid 45 and name HG2 ) 2.82 1.02 1.02 assign ( resid 45 and name HG2 ) ( resid 46 and name HN ) 3.84 2.05 2.05 assign ( resid 47 and name HN ) ( resid 47 and name HD21 ) 3.66 1.87 1.87 assign ( resid 47 and name HN ) ( resid 47 and name HD22 ) 3.66 1.87 1.87 assign ( resid 50 and name HN ) ( resid 50 and name HG ) 3.30 1.51 1.51 assign ( resid 50 and name HG ) ( resid 51 and name HN ) 3.29 1.49 1.49 assign ( resid 53 and name HN ) ( resid 53 and name HG1 ) 2.98 1.18 1.18 assign ( resid 53 and name HG2 ) ( resid 54 and name HN ) 3.77 1.98 1.98 assign ( resid 53 and name HG1 ) ( resid 54 and name HN ) 3.77 1.98 1.98 assign ( resid 53 and name HD* ) ( resid 54 and name HN ) 4.34 2.54 2.54 assign ( resid 59 and name HN ) ( resid 59 and name HG ) 2.76 0.97 0.97 assign ( resid 59 and name HG ) ( resid 60 and name HN ) 3.52 1.72 1.72 assign ( resid 61 and name HN ) ( resid 61 and name HG ) 3.39 1.60 1.60 assign ( resid 62 and name HN ) ( resid 62 and name HG1* ) 3.53 1.73 1.73 assign ( resid 62 and name HG1* ) ( resid 63 and name HN ) 3.65 1.86 1.86 assign ( resid 63 and name HG1 ) ( resid 64 and name HN ) 3.75 1.96 1.96 assign ( resid 63 and name HD2 ) ( resid 64 and name HN ) 3.90 2.10 2.10 assign ( resid 63 and name HD1 ) ( resid 64 and name HN ) 3.90 2.10 2.10 assign ( resid 65 and name HN ) ( resid 65 and name HG* ) 4.01 2.22 2.22 assign ( resid 72 and name HG* ) ( resid 73 and name HN ) 4.34 2.54 2.54 assign ( resid 74 and name HG1 ) ( resid 75 and name HN ) 3.90 2.10 2.10 assign ( resid 75 and name HN ) ( resid 75 and name HG12 ) 3.05 1.26 1.26 assign ( resid 75 and name HN ) ( resid 75 and name HG11 ) 3.05 1.26 1.26 assign ( resid 75 and name HG12 ) ( resid 76 and name HN ) 3.90 2.10 2.10 assign ( resid 75 and name HG11 ) ( resid 76 and name HN ) 3.90 2.10 2.10 assign ( resid 76 and name HN ) ( resid 76 and name HG2 ) 2.89 1.09 1.09 assign ( resid 76 and name HN ) ( resid 76 and name HG1 ) 2.89 1.09 1.09 assign ( resid 76 and name HG2 ) ( resid 77 and name HN ) 3.52 1.72 1.72 assign ( resid 76 and name HG1 ) ( resid 77 and name HN ) 3.52 1.72 1.72 assign ( resid 79 and name HN ) ( resid 79 and name HG2 ) 3.56 1.76 1.76 assign ( resid 79 and name HN ) ( resid 79 and name HG1 ) 3.56 1.76 1.76 assign ( resid 79 and name HG1 ) ( resid 80 and name HN ) 3.90 2.10 2.10 assign ( resid 79 and name HD2 ) ( resid 80 and name HN ) 3.90 2.10 2.10 assign ( resid 79 and name HD1 ) ( resid 80 and name HN ) 3.90 2.10 2.10 assign ( resid 81 and name HA ) ( resid 81 and name HD21 ) 3.90 2.10 2.10 assign ( resid 81 and name HA ) ( resid 81 and name HD22 ) 3.90 2.10 2.10 assign ( resid 82 and name HD* ) ( resid 83 and name HN ) 4.96 3.17 3.17 assign ( resid 83 and name HN ) ( resid 83 and name HG ) 2.78 0.99 0.99 assign ( resid 83 and name HG ) ( resid 84 and name HN ) 3.38 1.58 1.58 assign ( resid 84 and name HN ) ( resid 84 and name HG* ) 4.28 2.49 2.49 assign ( resid 84 and name HG* ) ( resid 85 and name HN ) 4.34 2.54 2.54 assign ( resid 85 and name HN ) ( resid 85 and name HG ) 3.57 1.78 1.78 assign ( resid 85 and name HG ) ( resid 86 and name HN ) 3.77 1.98 1.98 assign ( resid 87 and name HN ) ( resid 87 and name HG ) 3.21 1.42 1.42 assign ( resid 87 and name HG ) ( resid 88 and name HN ) 3.61 1.81 1.81 assign ( resid 88 and name HN ) ( resid 88 and name HG* ) 4.34 2.54 2.54 assign ( resid 94 and name HN ) ( resid 94 and name HG12 ) 3.79 1.99 1.99 assign ( resid 94 and name HN ) ( resid 94 and name HG11 ) 3.79 1.99 1.99 assign ( resid 97 and name HD* ) ( resid 98 and name HN ) 4.34 2.54 2.54 assign ( resid 98 and name HN ) ( resid 98 and name HG* ) 4.34 2.54 2.54 assign ( resid 98 and name HG* ) ( resid 99 and name HN ) 4.34 2.54 2.54 assign ( resid 100 and name HN ) ( resid 100 and name HD2 ) 3.90 2.10 2.10 assign ( resid 100 and name HN ) ( resid 100 and name HD1 ) 3.90 2.10 2.10 assign ( resid 100 and name HG2 ) ( resid 101 and name HN ) 3.90 2.10 2.10 assign ( resid 100 and name HD2 ) ( resid 101 and name HN ) 3.90 2.10 2.10 assign ( resid 100 and name HD1 ) ( resid 101 and name HN ) 3.90 2.10 2.10 assign ( resid 100 and name HE* ) ( resid 101 and name HN ) 4.34 2.54 2.54 assign ( resid 102 and name HN ) ( resid 102 and name HG12 ) 3.00 1.20 1.20 assign ( resid 102 and name HN ) ( resid 102 and name HG11 ) 3.00 1.20 1.20 assign ( resid 102 and name HG11 ) ( resid 103 and name HN ) 3.90 2.10 2.10 assign ( resid 107 and name HN ) ( resid 107 and name HG ) 2.89 1.09 1.09 assign ( resid 107 and name HG ) ( resid 108 and name HN ) 3.56 1.76 1.76 assign ( resid 110 and name HN ) ( resid 110 and name HG ) 2.64 0.84 0.84 assign ( resid 110 and name HG ) ( resid 111 and name HN ) 3.34 1.54 1.54 assign ( resid 114 and name HN ) ( resid 114 and name HG2 ) 3.54 1.74 1.74 assign ( resid 114 and name HN ) ( resid 114 and name HG1 ) 3.54 1.74 1.74 assign ( resid 114 and name HD* ) ( resid 115 and name HN ) 4.34 2.54 2.54 assign ( resid 116 and name HN ) ( resid 116 and name HG2 ) 3.12 1.33 1.33 assign ( resid 116 and name HN ) ( resid 116 and name HG1 ) 3.12 1.33 1.33 assign ( resid 116 and name HG2 ) ( resid 117 and name HN ) 3.75 1.96 1.96 assign ( resid 116 and name HG1 ) ( resid 117 and name HN ) 3.75 1.96 1.96 assign ( resid 117 and name HN ) ( resid 117 and name HG12 ) 3.36 1.56 1.56 assign ( resid 117 and name HN ) ( resid 117 and name HG11 ) 3.36 1.56 1.56 assign ( resid 117 and name HG12 ) ( resid 118 and name HN ) 3.70 1.90 1.90 assign ( resid 117 and name HG11 ) ( resid 118 and name HN ) 3.70 1.90 1.90 assign ( resid 119 and name HN ) ( resid 119 and name HG2 ) 3.36 1.56 1.56 assign ( resid 119 and name HN ) ( resid 119 and name HG1 ) 3.36 1.56 1.56 assign ( resid 119 and name HN ) ( resid 119 and name HD* ) 4.34 2.54 2.54 assign ( resid 10 and name HN ) ( resid 10 and name HG1 ) 2.87 1.08 1.08 assign ( resid 10 and name HG1 ) ( resid 11 and name HN ) 3.65 1.85 1.85 assign ( resid 10 and name HN ) ( resid 54 and name HE1 ) 3.52 1.72 1.72 assign ( resid 11 and name HN ) ( resid 14 and name HG1* ) 4.34 2.54 2.54 assign ( resid 7 and name HG ) ( resid 11 and name HN ) 3.90 2.10 2.10 assign ( resid 17 and name HN ) ( resid 82 and name HE* ) 4.84 3.04 3.04 assign ( resid 18 and name HN ) ( resid 107 and name HG ) 3.52 1.72 1.72 assign ( resid 41 and name HN ) ( resid 42 and name HD2 ) 3.90 2.10 2.10 assign ( resid 48 and name HN ) ( resid 83 and name HG ) 3.90 2.10 2.10 assign ( resid 10 and name HG1 ) ( resid 54 and name HE1 ) 3.39 1.60 1.60 assign ( resid 10 and name HB ) ( resid 54 and name HE1 ) 3.90 2.10 2.10 assign ( resid 10 and name HA ) ( resid 54 and name HE1 ) 3.47 1.67 1.67 assign ( resid 54 and name HE3 ) ( resid 55 and name HN ) 3.57 1.78 1.78 assign ( resid 74 and name HE22 ) ( resid 108 and name HE* ) 4.96 3.17 3.17 assign ( resid 74 and name HE21 ) ( resid 108 and name HE* ) 4.96 3.17 3.17 assign ( resid 54 and name HZ3 ) ( resid 78 and name HN ) 3.90 2.10 2.10 assign ( resid 78 and name HA ) ( resid 81 and name HD21 ) 3.90 2.10 2.10 assign ( resid 78 and name HA ) ( resid 81 and name HD22 ) 3.90 2.10 2.10 assign ( resid 89 and name HN ) ( resid 99 and name HE* ) 4.96 3.17 3.17 assign ( resid 90 and name HN ) ( resid 90 and name HE* ) 4.96 3.17 3.17 assign ( resid 24 and name HD* ) ( resid 92 and name HN ) 4.96 3.17 3.17 assign ( resid 24 and name HE* ) ( resid 92 and name HN ) 4.96 3.17 3.17 assign ( resid 85 and name HG ) ( resid 103 and name HN ) 3.90 2.10 2.10 assign ( resid 103 and name HN ) ( resid 103 and name HG1 ) 2.82 1.02 1.02 assign ( resid 109 and name HN ) ( resid 110 and name HG ) 3.74 1.94 1.94 assign ( resid 13 and name HG* ) ( resid 54 and name HE1 ) 4.34 2.54 2.54 assign ( resid 7 and name HD2* ) ( resid 8 and name HN ) 4.28 2.49 2.49 assign ( resid 7 and name HD1* ) ( resid 8 and name HN ) 4.24 2.45 2.45 assign ( resid 13 and name HN ) ( resid 13 and name HE* ) 3.83 2.04 2.04 assign ( resid 13 and name HE* ) ( resid 14 and name HN ) 4.35 2.56 2.56 assign ( resid 16 and name HG1* ) ( resid 17 and name HN ) 3.24 1.44 1.44 assign ( resid 21 and name HB* ) ( resid 22 and name HN ) 2.93 1.14 1.14 assign ( resid 44 and name HN ) ( resid 44 and name HG2* ) 3.15 1.35 1.35 assign ( resid 50 and name HN ) ( resid 50 and name HD1* ) 3.62 1.82 1.82 assign ( resid 50 and name HN ) ( resid 50 and name HD2* ) 3.67 1.87 1.87 assign ( resid 50 and name HD1* ) ( resid 51 and name HN ) 4.16 2.36 2.36 assign ( resid 50 and name HD2* ) ( resid 51 and name HN ) 3.90 2.11 2.11 assign ( resid 51 and name HB* ) ( resid 52 and name HN ) 2.73 0.94 0.94 assign ( resid 52 and name HB* ) ( resid 53 and name HN ) 2.93 1.14 1.14 assign ( resid 59 and name HD2* ) ( resid 60 and name HN ) 4.05 2.25 2.25 assign ( resid 61 and name HD2* ) ( resid 62 and name HN ) 3.85 2.05 2.05 assign ( resid 61 and name HD1* ) ( resid 62 and name HN ) 3.83 2.04 2.04 assign ( resid 62 and name HD1* ) ( resid 63 and name HN ) 4.26 2.47 2.47 assign ( resid 70 and name HN ) ( resid 70 and name HG2* ) 3.29 1.50 1.50 assign ( resid 78 and name HN ) ( resid 78 and name HG2* ) 2.91 1.12 1.12 assign ( resid 85 and name HN ) ( resid 85 and name HD1* ) 3.76 1.96 1.96 assign ( resid 85 and name HD1* ) ( resid 86 and name HN ) 4.26 2.47 2.47 assign ( resid 87 and name HN ) ( resid 87 and name HD1* ) 3.65 1.86 1.86 assign ( resid 87 and name HN ) ( resid 87 and name HD2* ) 3.70 1.91 1.91 assign ( resid 87 and name HD1* ) ( resid 88 and name HN ) 4.21 2.41 2.41 assign ( resid 94 and name HN ) ( resid 94 and name HD1* ) 3.92 2.13 2.13 assign ( resid 102 and name HG2* ) ( resid 103 and name HN ) 3.76 1.96 1.96 assign ( resid 109 and name HG2* ) ( resid 110 and name HN ) 3.60 1.80 1.80 assign ( resid 110 and name HN ) ( resid 110 and name HD2* ) 3.65 1.86 1.86 assign ( resid 110 and name HN ) ( resid 110 and name HD1* ) 3.31 1.51 1.51 assign ( resid 113 and name HG1* ) ( resid 114 and name HN ) 3.65 1.86 1.86 assign ( resid 113 and name HG2* ) ( resid 114 and name HN ) 3.83 2.04 2.04 assign ( resid 117 and name HN ) ( resid 117 and name HD1* ) 3.29 1.50 1.50 assign ( resid 117 and name HG2* ) ( resid 118 and name HN ) 3.51 1.71 1.71 assign ( resid 117 and name HD1* ) ( resid 118 and name HN ) 4.25 2.45 2.45 assign ( resid 118 and name HN ) ( resid 118 and name HB* ) 2.71 0.92 0.92 assign ( resid 118 and name HB* ) ( resid 119 and name HN ) 3.04 1.24 1.24 assign ( resid 7 and name HD1* ) ( resid 9 and name HN ) 4.21 2.41 2.41 assign ( resid 7 and name HD1* ) ( resid 11 and name HN ) 4.30 2.50 2.50 assign ( resid 12 and name HE21 ) ( resid 50 and name HD2* ) 3.54 1.75 1.75 assign ( resid 12 and name HE22 ) ( resid 50 and name HD2* ) 3.54 1.75 1.75 assign ( resid 14 and name HN ) ( resid 110 and name HD1* ) 3.45 1.66 1.66 assign ( resid 15 and name HN ) ( resid 110 and name HD1* ) 4.41 2.61 2.61 assign ( resid 15 and name HN ) ( resid 16 and name HG2* ) 4.01 2.22 2.22 assign ( resid 17 and name HN ) ( resid 107 and name HD2* ) 4.07 2.27 2.27 assign ( resid 18 and name HN ) ( resid 107 and name HD2* ) 4.03 2.23 2.23 assign ( resid 14 and name HG2* ) ( resid 18 and name HN ) 3.83 2.04 2.04 assign ( resid 18 and name HN ) ( resid 107 and name HD1* ) 4.41 2.61 2.61 assign ( resid 44 and name HN ) ( resid 86 and name HG1* ) 4.41 2.61 2.61 assign ( resid 43 and name HB* ) ( resid 47 and name HD22 ) 4.08 2.29 2.29 assign ( resid 47 and name HN ) ( resid 50 and name HD2* ) 4.41 2.61 2.61 assign ( resid 16 and name HG1* ) ( resid 47 and name HD21 ) 4.41 2.61 2.61 assign ( resid 49 and name HN ) ( resid 52 and name HB* ) 4.41 2.61 2.61 assign ( resid 51 and name HB* ) ( resid 54 and name HN ) 4.26 2.47 2.47 assign ( resid 54 and name HN ) ( resid 55 and name HB* ) 3.96 2.16 2.16 assign ( resid 50 and name HD1* ) ( resid 54 and name HN ) 4.41 2.61 2.61 assign ( resid 13 and name HE* ) ( resid 54 and name HN ) 4.41 2.61 2.61 assign ( resid 6 and name HD1* ) ( resid 54 and name HE1 ) 3.96 2.16 2.16 assign ( resid 54 and name HE1 ) ( resid 110 and name HD2* ) 4.14 2.34 2.34 assign ( resid 56 and name HN ) ( resid 58 and name HB* ) 4.41 2.61 2.61 assign ( resid 55 and name HB* ) ( resid 58 and name HN ) 4.41 2.61 2.61 assign ( resid 6 and name HD1* ) ( resid 57 and name HN ) 4.41 2.61 2.61 assign ( resid 6 and name HD2* ) ( resid 61 and name HN ) 4.41 2.61 2.61 assign ( resid 62 and name HN ) ( resid 75 and name HD1* ) 4.34 2.54 2.54 assign ( resid 70 and name HN ) ( resid 113 and name HG2* ) 4.41 2.61 2.61 assign ( resid 62 and name HD1* ) ( resid 71 and name HN ) 4.41 2.61 2.61 assign ( resid 71 and name HN ) ( resid 75 and name HD1* ) 4.41 2.61 2.61 assign ( resid 70 and name HG2* ) ( resid 75 and name HN ) 4.41 2.61 2.61 assign ( resid 75 and name HN ) ( resid 109 and name HG2* ) 4.08 2.29 2.29 assign ( resid 76 and name HN ) ( resid 77 and name HB* ) 4.01 2.22 2.22 assign ( resid 59 and name HD1* ) ( resid 76 and name HN ) 4.19 2.40 2.40 assign ( resid 78 and name HN ) ( resid 109 and name HG2* ) 4.05 2.25 2.25 assign ( resid 75 and name HG2* ) ( resid 78 and name HN ) 4.41 2.61 2.61 assign ( resid 77 and name HB* ) ( resid 81 and name HD21 ) 4.30 2.50 2.50 assign ( resid 78 and name HG1* ) ( resid 81 and name HD21 ) 4.41 2.61 2.61 assign ( resid 77 and name HB* ) ( resid 81 and name HN ) 4.41 2.61 2.61 assign ( resid 82 and name HN ) ( resid 106 and name HG2* ) 3.81 2.02 2.02 assign ( resid 82 and name HN ) ( resid 106 and name HG1* ) 4.32 2.52 2.52 assign ( resid 84 and name HN ) ( resid 102 and name HD1* ) 4.41 2.61 2.61 assign ( resid 85 and name HN ) ( resid 86 and name HG2* ) 4.41 2.61 2.61 assign ( resid 90 and name HN ) ( resid 91 and name HG2* ) 3.97 2.18 2.18 assign ( resid 93 and name HN ) ( resid 94 and name HG2* ) 4.41 2.61 2.61 assign ( resid 94 and name HG2* ) ( resid 99 and name HN ) 4.41 2.61 2.61 assign ( resid 21 and name HB* ) ( resid 103 and name HN ) 4.41 2.61 2.61 assign ( resid 106 and name HN ) ( resid 107 and name HD2* ) 4.34 2.54 2.54 assign ( resid 85 and name HD1* ) ( resid 106 and name HN ) 3.69 1.89 1.89 assign ( resid 78 and name HG2* ) ( resid 109 and name HN ) 3.79 2.00 2.00 assign ( resid 78 and name HG2* ) ( resid 110 and name HN ) 4.24 2.45 2.45 assign ( resid 111 and name HN ) ( resid 112 and name HB* ) 4.35 2.56 2.56 assign ( resid 14 and name HD1* ) ( resid 111 and name HN ) 4.41 2.61 2.61 assign ( resid 112 and name HN ) ( resid 113 and name HG2* ) 4.41 2.61 2.61 assign ( resid 70 and name HG2* ) ( resid 112 and name HN ) 4.41 2.61 2.61 assign ( resid 70 and name HG1* ) ( resid 112 and name HN ) 4.41 2.61 2.61 assign ( resid 70 and name HG1* ) ( resid 113 and name HN ) 4.01 2.22 2.22 assign ( resid 18 and name HN ) ( resid 21 and name HB* ) 4.41 2.61 2.61 assign ( resid 16 and name HG1* ) ( resid 47 and name HD22 ) 4.41 2.61 2.61 assign ( resid 54 and name HE1 ) ( resid 113 and name HG2* ) 4.15 2.36 2.36 assign ( resid 13 and name HN ) ( resid 50 and name HD2* ) 3.56 1.77 1.77 assign ( resid 8 and name HA ) ( resid 11 and name HN ) 2.84 1.04 1.04 assign ( resid 8 and name HA ) ( resid 11 and name HB1 ) 2.80 1.00 1.00 assign ( resid 10 and name HA ) ( resid 13 and name HB2 ) 3.02 1.22 1.22 assign ( resid 10 and name HA ) ( resid 13 and name HB1 ) 3.02 1.22 1.22 assign ( resid 7 and name HA ) ( resid 10 and name HB ) 3.18 1.38 1.38 assign ( resid 11 and name HA ) ( resid 14 and name HB ) 2.87 1.08 1.08 assign ( resid 8 and name HA ) ( resid 11 and name HB2 ) 2.80 1.00 1.00 assign ( resid 12 and name HA ) ( resid 15 and name HB1 ) 3.59 1.80 1.80 assign ( resid 9 and name HA ) ( resid 12 and name HB2 ) 3.14 1.35 1.35 assign ( resid 9 and name HA ) ( resid 12 and name HB1 ) 3.14 1.35 1.35 assign ( resid 12 and name HA ) ( resid 15 and name HB2 ) 3.59 1.80 1.80 assign ( resid 15 and name HB2 ) ( resid 16 and name HN ) 2.87 1.08 1.08 assign ( resid 16 and name HA ) ( resid 19 and name HB1 ) 3.00 1.20 1.20 assign ( resid 16 and name HA ) ( resid 19 and name HB2 ) 2.84 1.04 1.04 assign ( resid 13 and name HA ) ( resid 16 and name HB ) 3.07 1.27 1.27 assign ( resid 15 and name HA ) ( resid 18 and name HB2 ) 2.78 0.99 0.99 assign ( resid 15 and name HA ) ( resid 18 and name HB1 ) 2.94 1.15 1.15 assign ( resid 19 and name HA ) ( resid 22 and name HN ) 2.78 0.99 0.99 assign ( resid 19 and name HA ) ( resid 22 and name HB* ) 3.08 1.28 1.28 assign ( resid 19 and name HN ) ( resid 19 and name HB1 ) 2.71 0.91 0.91 assign ( resid 19 and name HN ) ( resid 19 and name HB2 ) 2.55 0.75 0.75 assign ( resid 19 and name HB2 ) ( resid 20 and name HN ) 2.78 0.99 0.99 assign ( resid 20 and name HA1 ) ( resid 23 and name HB2 ) 3.43 1.63 1.63 assign ( resid 21 and name HA ) ( resid 24 and name HB2 ) 3.32 1.53 1.53 assign ( resid 21 and name HA ) ( resid 24 and name HB1 ) 3.32 1.53 1.53 assign ( resid 22 and name HA ) ( resid 25 and name HN ) 3.32 1.53 1.53 assign ( resid 22 and name HA ) ( resid 25 and name HB2 ) 2.80 1.00 1.00 assign ( resid 22 and name HA ) ( resid 25 and name HB1 ) 2.80 1.00 1.00 assign ( resid 20 and name HA2 ) ( resid 23 and name HB1 ) 3.38 1.58 1.58 assign ( resid 20 and name HA1 ) ( resid 23 and name HB1 ) 3.32 1.53 1.53 assign ( resid 25 and name HN ) ( resid 25 and name HB2 ) 2.69 0.90 0.90 assign ( resid 25 and name HB1 ) ( resid 26 and name HN ) 3.39 1.60 1.60 assign ( resid 23 and name HA ) ( resid 26 and name HB* ) 3.35 1.55 1.55 assign ( resid 38 and name HN ) ( resid 38 and name HB1 ) 2.73 0.93 0.93 assign ( resid 38 and name HA ) ( resid 38 and name HB1 ) 2.31 0.52 0.52 assign ( resid 38 and name HB1 ) ( resid 39 and name HN ) 2.84 1.04 1.04 assign ( resid 38 and name HN ) ( resid 38 and name HB2 ) 2.57 0.77 0.77 assign ( resid 38 and name HA ) ( resid 38 and name HB2 ) 2.40 0.61 0.61 assign ( resid 38 and name HB2 ) ( resid 39 and name HN ) 3.07 1.27 1.27 assign ( resid 42 and name HB1 ) ( resid 43 and name HN ) 3.18 1.38 1.38 assign ( resid 43 and name HA ) ( resid 46 and name HN ) 2.91 1.11 1.11 assign ( resid 44 and name HA ) ( resid 47 and name HB2 ) 3.32 1.53 1.53 assign ( resid 45 and name HA ) ( resid 48 and name HB1 ) 2.91 1.11 1.11 assign ( resid 46 and name HA ) ( resid 46 and name HB1 ) 2.33 0.54 0.54 assign ( resid 46 and name HA ) ( resid 49 and name HN ) 2.98 1.18 1.18 assign ( resid 46 and name HA ) ( resid 49 and name HB* ) 3.11 1.32 1.32 assign ( resid 43 and name HA ) ( resid 46 and name HB2 ) 2.80 1.00 1.00 assign ( resid 43 and name HA ) ( resid 46 and name HB1 ) 3.11 1.31 1.31 assign ( resid 46 and name HB1 ) ( resid 47 and name HN ) 2.51 0.72 0.72 assign ( resid 47 and name HA ) ( resid 50 and name HB1 ) 3.66 1.87 1.87 assign ( resid 44 and name HA ) ( resid 47 and name HB1 ) 3.56 1.76 1.76 assign ( resid 48 and name HA ) ( resid 51 and name HN ) 2.91 1.11 1.11 assign ( resid 45 and name HA ) ( resid 48 and name HB2 ) 2.91 1.11 1.11 assign ( resid 49 and name HA ) ( resid 52 and name HN ) 2.76 0.97 0.97 assign ( resid 49 and name HN ) ( resid 49 and name HB* ) 2.83 1.03 1.03 assign ( resid 50 and name HA ) ( resid 53 and name HB2 ) 2.96 1.17 1.17 assign ( resid 47 and name HA ) ( resid 50 and name HB2 ) 3.66 1.87 1.87 assign ( resid 51 and name HA ) ( resid 54 and name HN ) 3.18 1.38 1.38 assign ( resid 51 and name HA ) ( resid 54 and name HB1 ) 3.12 1.33 1.33 assign ( resid 52 and name HA ) ( resid 55 and name HN ) 3.03 1.24 1.24 assign ( resid 50 and name HA ) ( resid 53 and name HB1 ) 2.96 1.17 1.17 assign ( resid 51 and name HA ) ( resid 54 and name HB2 ) 3.12 1.33 1.33 assign ( resid 55 and name HA ) ( resid 58 and name HN ) 3.16 1.36 1.36 assign ( resid 56 and name HN ) ( resid 56 and name HA ) 2.35 0.55 0.55 assign ( resid 56 and name HA ) ( resid 56 and name HB2 ) 2.40 0.61 0.61 assign ( resid 56 and name HA ) ( resid 56 and name HB1 ) 2.40 0.61 0.61 assign ( resid 56 and name HA ) ( resid 59 and name HN ) 2.96 1.17 1.17 assign ( resid 56 and name HA ) ( resid 59 and name HB1 ) 3.05 1.26 1.26 assign ( resid 56 and name HA ) ( resid 59 and name HB2 ) 2.89 1.09 1.09 assign ( resid 53 and name HA ) ( resid 56 and name HB2 ) 2.89 1.09 1.09 assign ( resid 53 and name HA ) ( resid 56 and name HB1 ) 2.89 1.09 1.09 assign ( resid 56 and name HB1 ) ( resid 57 and name HN ) 2.82 1.02 1.02 assign ( resid 57 and name HA2 ) ( resid 60 and name HB2 ) 3.45 1.65 1.65 assign ( resid 57 and name HA1 ) ( resid 60 and name HB2 ) 3.32 1.53 1.53 assign ( resid 58 and name HA ) ( resid 61 and name HB2 ) 3.43 1.63 1.63 assign ( resid 57 and name HA2 ) ( resid 60 and name HB1 ) 3.45 1.65 1.65 assign ( resid 57 and name HA1 ) ( resid 60 and name HB1 ) 3.32 1.53 1.53 assign ( resid 58 and name HA ) ( resid 61 and name HB1 ) 3.43 1.63 1.63 assign ( resid 59 and name HA ) ( resid 62 and name HB ) 3.41 1.62 1.62 assign ( resid 60 and name HA ) ( resid 63 and name HB* ) 3.35 1.55 1.55 assign ( resid 63 and name HN ) ( resid 63 and name HB* ) 2.77 0.98 0.98 assign ( resid 63 and name HB* ) ( resid 64 and name HN ) 3.08 1.28 1.28 assign ( resid 61 and name HA ) ( resid 64 and name HB ) 2.78 0.99 0.99 assign ( resid 64 and name HN ) ( resid 64 and name HB ) 2.42 0.63 0.63 assign ( resid 64 and name HA ) ( resid 64 and name HB ) 2.40 0.61 0.61 assign ( resid 70 and name HB ) ( resid 71 and name HN ) 2.91 1.11 1.11 assign ( resid 71 and name HN ) ( resid 71 and name HB2 ) 2.85 1.06 1.06 assign ( resid 72 and name HA ) ( resid 75 and name HB ) 2.78 0.99 0.99 assign ( resid 72 and name HB2 ) ( resid 73 and name HN ) 3.16 1.36 1.36 assign ( resid 73 and name HA ) ( resid 76 and name HN ) 3.05 1.26 1.26 assign ( resid 73 and name HA ) ( resid 76 and name HB* ) 3.38 1.59 1.59 assign ( resid 76 and name HA ) ( resid 79 and name HN ) 3.02 1.22 1.22 assign ( resid 76 and name HA ) ( resid 79 and name HB2 ) 2.96 1.17 1.17 assign ( resid 76 and name HA ) ( resid 79 and name HB1 ) 2.96 1.17 1.17 assign ( resid 78 and name HA ) ( resid 81 and name HN ) 2.84 1.04 1.04 assign ( resid 78 and name HA ) ( resid 81 and name HB2 ) 2.89 1.09 1.09 assign ( resid 78 and name HA ) ( resid 81 and name HB1 ) 2.89 1.09 1.09 assign ( resid 75 and name HA ) ( resid 78 and name HB ) 2.94 1.15 1.15 assign ( resid 79 and name HA ) ( resid 82 and name HB1 ) 2.80 1.00 1.00 assign ( resid 79 and name HA ) ( resid 82 and name HB2 ) 2.82 1.02 1.02 assign ( resid 81 and name HA ) ( resid 84 and name HB* ) 3.60 1.80 1.80 assign ( resid 82 and name HA ) ( resid 85 and name HB2 ) 3.03 1.24 1.24 assign ( resid 83 and name HA ) ( resid 86 and name HB ) 2.66 0.86 0.86 assign ( resid 80 and name HA ) ( resid 83 and name HB1 ) 3.32 1.53 1.53 assign ( resid 83 and name HN ) ( resid 83 and name HB1 ) 2.69 0.90 0.90 assign ( resid 80 and name HA ) ( resid 83 and name HB2 ) 3.02 1.22 1.22 assign ( resid 84 and name HA ) ( resid 87 and name HB1 ) 2.58 0.79 0.79 assign ( resid 84 and name HA ) ( resid 87 and name HB2 ) 2.87 1.08 1.08 assign ( resid 82 and name HA ) ( resid 85 and name HB1 ) 3.27 1.47 1.47 assign ( resid 85 and name HB1 ) ( resid 86 and name HN ) 2.80 1.00 1.00 assign ( resid 86 and name HA ) ( resid 89 and name HN ) 3.11 1.31 1.31 assign ( resid 87 and name HN ) ( resid 87 and name HB1 ) 2.91 1.11 1.11 assign ( resid 99 and name HA ) ( resid 102 and name HN ) 3.20 1.40 1.40 assign ( resid 99 and name HA ) ( resid 102 and name HB ) 2.91 1.11 1.11 assign ( resid 101 and name HA ) ( resid 104 and name HN ) 3.07 1.27 1.27 assign ( resid 101 and name HA ) ( resid 104 and name HB1 ) 2.78 0.99 0.99 assign ( resid 98 and name HA ) ( resid 101 and name HB2 ) 2.82 1.02 1.02 assign ( resid 98 and name HA ) ( resid 101 and name HB1 ) 3.00 1.20 1.20 assign ( resid 103 and name HA ) ( resid 106 and name HB ) 2.93 1.13 1.13 assign ( resid 100 and name HA ) ( resid 103 and name HB ) 2.69 0.90 0.90 assign ( resid 104 and name HA ) ( resid 107 and name HN ) 3.00 1.20 1.20 assign ( resid 104 and name HA ) ( resid 107 and name HB1 ) 3.00 1.20 1.20 assign ( resid 104 and name HA ) ( resid 107 and name HB2 ) 2.67 0.88 0.88 assign ( resid 101 and name HA ) ( resid 104 and name HB2 ) 2.78 0.99 0.99 assign ( resid 105 and name HA ) ( resid 108 and name HN ) 3.07 1.27 1.27 assign ( resid 105 and name HA ) ( resid 108 and name HB1 ) 2.69 0.90 0.90 assign ( resid 105 and name HA ) ( resid 108 and name HB2 ) 2.84 1.04 1.04 assign ( resid 102 and name HA ) ( resid 105 and name HB* ) 2.97 1.18 1.18 assign ( resid 105 and name HN ) ( resid 105 and name HB* ) 2.79 1.00 1.00 assign ( resid 105 and name HB* ) ( resid 106 and name HN ) 3.02 1.23 1.23 assign ( resid 106 and name HA ) ( resid 109 and name HB ) 2.85 1.06 1.06 assign ( resid 107 and name HA ) ( resid 110 and name HN ) 2.93 1.13 1.13 assign ( resid 107 and name HA ) ( resid 110 and name HB2 ) 3.12 1.33 1.33 assign ( resid 107 and name HA ) ( resid 110 and name HB1 ) 3.12 1.33 1.33 assign ( resid 108 and name HA ) ( resid 111 and name HB2 ) 3.34 1.54 1.54 assign ( resid 111 and name HA ) ( resid 114 and name HB2 ) 2.64 0.84 0.84 assign ( resid 111 and name HA ) ( resid 114 and name HB1 ) 2.66 0.86 0.86 assign ( resid 108 and name HA ) ( resid 111 and name HB1 ) 3.34 1.54 1.54 assign ( resid 113 and name HA ) ( resid 116 and name HN ) 2.85 1.06 1.06 assign ( resid 113 and name HA ) ( resid 116 and name HB1 ) 3.75 1.96 1.96 assign ( resid 110 and name HA ) ( resid 113 and name HB ) 3.02 1.22 1.22 assign ( resid 114 and name HA ) ( resid 117 and name HB ) 2.78 0.99 0.99 assign ( resid 115 and name HN ) ( resid 115 and name HA ) 2.37 0.57 0.57 assign ( resid 115 and name HA ) ( resid 118 and name HN ) 2.76 0.97 0.97 assign ( resid 112 and name HA ) ( resid 115 and name HB2 ) 3.11 1.31 1.31 assign ( resid 112 and name HA ) ( resid 115 and name HB1 ) 3.11 1.31 1.31 assign ( resid 116 and name HA ) ( resid 119 and name HB2 ) 2.58 0.79 0.79 assign ( resid 116 and name HA ) ( resid 119 and name HB1 ) 2.78 0.99 0.99 assign ( resid 113 and name HA ) ( resid 116 and name HB2 ) 3.75 1.96 1.96 assign ( resid 117 and name HA ) ( resid 120 and name HN ) 3.57 1.78 1.78 assign ( resid 117 and name HN ) ( resid 117 and name HB ) 2.64 0.84 0.84 assign ( resid 120 and name HA ) ( resid 120 and name HB1 ) 2.33 0.54 0.54 assign ( resid 20 and name HA1 ) ( resid 22 and name HN ) 3.56 1.76 1.76 assign ( resid 37 and name HA ) ( resid 41 and name HB* ) 3.47 1.68 1.68 assign ( resid 42 and name HA ) ( resid 45 and name HB2 ) 3.07 1.27 1.27 assign ( resid 41 and name HA ) ( resid 44 and name HB ) 3.00 1.20 1.20 assign ( resid 55 and name HA ) ( resid 59 and name HN ) 2.96 1.17 1.17 assign ( resid 63 and name HN ) ( resid 64 and name HB ) 3.21 1.42 1.42 assign ( resid 78 and name HA ) ( resid 80 and name HN ) 3.34 1.54 1.54 assign ( resid 79 and name HA ) ( resid 83 and name HN ) 3.41 1.62 1.62 assign ( resid 104 and name HN ) ( resid 105 and name HB* ) 3.65 1.86 1.86 assign ( resid 125 and name HA ) ( resid 125 and name HB1 ) 2.39 0.59 0.59 assign ( resid 125 and name HA ) ( resid 125 and name HB2 ) 2.39 0.59 0.59 assign ( resid 36 and name HA ) ( resid 40 and name HB ) 2.64 0.84 0.84 assign ( resid 120 and name HA ) ( resid 120 and name HB2 ) 2.33 0.54 0.54 assign ( resid 11 and name HN ) ( resid 11 and name HG2 ) 2.75 0.95 0.95 assign ( resid 11 and name HN ) ( resid 11 and name HG1 ) 2.75 0.95 0.95 assign ( resid 11 and name HG1 ) ( resid 12 and name HN ) 3.90 2.10 2.10 assign ( resid 12 and name HA ) ( resid 12 and name HG2 ) 2.76 0.97 0.97 assign ( resid 12 and name HG2 ) ( resid 13 and name HN ) 3.47 1.67 1.67 assign ( resid 12 and name HN ) ( resid 12 and name HG1 ) 3.29 1.49 1.49 assign ( resid 12 and name HA ) ( resid 12 and name HG1 ) 2.76 0.97 0.97 assign ( resid 12 and name HG1 ) ( resid 13 and name HN ) 3.47 1.67 1.67 assign ( resid 13 and name HG* ) ( resid 14 and name HN ) 4.34 2.54 2.54 assign ( resid 15 and name HN ) ( resid 15 and name HG2 ) 3.18 1.38 1.38 assign ( resid 15 and name HA ) ( resid 15 and name HG2 ) 2.67 0.88 0.88 assign ( resid 15 and name HG2 ) ( resid 16 and name HN ) 3.70 1.90 1.90 assign ( resid 15 and name HN ) ( resid 15 and name HG1 ) 3.18 1.38 1.38 assign ( resid 15 and name HA ) ( resid 15 and name HG1 ) 2.67 0.88 0.88 assign ( resid 18 and name HN ) ( resid 18 and name HG2 ) 2.84 1.04 1.04 assign ( resid 18 and name HA ) ( resid 18 and name HG2 ) 2.75 0.95 0.95 assign ( resid 18 and name HN ) ( resid 18 and name HG1 ) 2.84 1.04 1.04 assign ( resid 18 and name HA ) ( resid 18 and name HG1 ) 2.75 0.95 0.95 assign ( resid 18 and name HG1 ) ( resid 19 and name HN ) 3.90 2.10 2.10 assign ( resid 19 and name HN ) ( resid 19 and name HG2 ) 3.07 1.27 1.27 assign ( resid 19 and name HA ) ( resid 19 and name HG2 ) 2.93 1.13 1.13 assign ( resid 19 and name HN ) ( resid 19 and name HG1 ) 3.07 1.27 1.27 assign ( resid 19 and name HA ) ( resid 19 and name HG1 ) 2.93 1.13 1.13 assign ( resid 19 and name HN ) ( resid 19 and name HD* ) 3.65 1.86 1.86 assign ( resid 19 and name HA ) ( resid 19 and name HD* ) 3.40 1.61 1.61 assign ( resid 19 and name HN ) ( resid 19 and name HE* ) 4.34 2.54 2.54 assign ( resid 19 and name HB2 ) ( resid 19 and name HE* ) 3.82 2.02 2.02 assign ( resid 26 and name HA ) ( resid 26 and name HG2 ) 2.84 1.04 1.04 assign ( resid 26 and name HA ) ( resid 26 and name HG1 ) 2.84 1.04 1.04 assign ( resid 38 and name HN ) ( resid 38 and name HG2 ) 3.21 1.42 1.42 assign ( resid 38 and name HA ) ( resid 38 and name HG2 ) 2.73 0.93 0.93 assign ( resid 38 and name HN ) ( resid 38 and name HG1 ) 3.21 1.42 1.42 assign ( resid 38 and name HA ) ( resid 38 and name HG1 ) 2.73 0.93 0.93 assign ( resid 38 and name HG1 ) ( resid 39 and name HN ) 3.90 2.10 2.10 assign ( resid 45 and name HA ) ( resid 45 and name HG2 ) 2.69 0.90 0.90 assign ( resid 45 and name HN ) ( resid 45 and name HG1 ) 2.82 1.02 1.02 assign ( resid 45 and name HA ) ( resid 45 and name HG1 ) 2.69 0.90 0.90 assign ( resid 45 and name HG1 ) ( resid 46 and name HN ) 3.84 2.05 2.05 assign ( resid 46 and name HN ) ( resid 46 and name HG* ) 3.15 1.36 1.36 assign ( resid 46 and name HG* ) ( resid 47 and name HN ) 3.83 2.04 2.04 assign ( resid 49 and name HN ) ( resid 49 and name HG2 ) 2.64 0.84 0.84 assign ( resid 49 and name HA ) ( resid 49 and name HG2 ) 2.67 0.88 0.88 assign ( resid 49 and name HG2 ) ( resid 50 and name HN ) 3.75 1.96 1.96 assign ( resid 49 and name HN ) ( resid 49 and name HG1 ) 2.64 0.84 0.84 assign ( resid 49 and name HA ) ( resid 49 and name HG1 ) 2.67 0.88 0.88 assign ( resid 49 and name HG1 ) ( resid 50 and name HN ) 3.75 1.96 1.96 assign ( resid 53 and name HN ) ( resid 53 and name HG2 ) 2.98 1.18 1.18 assign ( resid 53 and name HN ) ( resid 53 and name HD* ) 4.34 2.54 2.54 assign ( resid 53 and name HA ) ( resid 53 and name HD* ) 3.56 1.77 1.77 assign ( resid 54 and name HA ) ( resid 54 and name HD1 ) 3.75 1.96 1.96 assign ( resid 56 and name HA ) ( resid 56 and name HG2 ) 2.64 0.84 0.84 assign ( resid 56 and name HN ) ( resid 56 and name HG2 ) 2.89 1.09 1.09 assign ( resid 56 and name HG2 ) ( resid 57 and name HN ) 3.59 1.80 1.80 assign ( resid 56 and name HN ) ( resid 56 and name HG1 ) 2.89 1.09 1.09 assign ( resid 56 and name HA ) ( resid 56 and name HG1 ) 2.64 0.84 0.84 assign ( resid 56 and name HG1 ) ( resid 57 and name HN ) 3.59 1.80 1.80 assign ( resid 60 and name HN ) ( resid 60 and name HG* ) 3.19 1.39 1.39 assign ( resid 60 and name HG* ) ( resid 61 and name HN ) 4.14 2.35 2.35 assign ( resid 61 and name HG ) ( resid 62 and name HN ) 3.90 2.10 2.10 assign ( resid 63 and name HA ) ( resid 63 and name HE* ) 4.34 2.54 2.54 assign ( resid 63 and name HB* ) ( resid 63 and name HE* ) 4.78 2.98 2.98 assign ( resid 63 and name HN ) ( resid 63 and name HG2 ) 3.36 1.56 1.56 assign ( resid 63 and name HG2 ) ( resid 64 and name HN ) 3.75 1.96 1.96 assign ( resid 63 and name HN ) ( resid 63 and name HG1 ) 3.36 1.56 1.56 assign ( resid 63 and name HN ) ( resid 63 and name HD2 ) 3.59 1.80 1.80 assign ( resid 63 and name HA ) ( resid 63 and name HD2 ) 3.70 1.90 1.90 assign ( resid 63 and name HN ) ( resid 63 and name HD1 ) 3.59 1.80 1.80 assign ( resid 63 and name HA ) ( resid 63 and name HD1 ) 3.70 1.90 1.90 assign ( resid 65 and name HN ) ( resid 65 and name HD* ) 4.34 2.54 2.54 assign ( resid 65 and name HA ) ( resid 65 and name HD* ) 4.07 2.27 2.27 assign ( resid 71 and name HA ) ( resid 71 and name HD2 ) 3.90 2.10 2.10 assign ( resid 72 and name HN ) ( resid 72 and name HD* ) 4.34 2.54 2.54 assign ( resid 72 and name HA ) ( resid 72 and name HD* ) 4.01 2.22 2.22 assign ( resid 72 and name HB2 ) ( resid 72 and name HE* ) 4.34 2.54 2.54 assign ( resid 72 and name HB1 ) ( resid 72 and name HE* ) 4.34 2.54 2.54 assign ( resid 73 and name HA ) ( resid 73 and name HG1 ) 2.71 0.91 0.91 assign ( resid 73 and name HN ) ( resid 73 and name HG2 ) 3.72 1.92 1.92 assign ( resid 73 and name HA ) ( resid 73 and name HG2 ) 2.71 0.91 0.91 assign ( resid 73 and name HG2 ) ( resid 74 and name HN ) 3.90 2.10 2.10 assign ( resid 73 and name HN ) ( resid 73 and name HG1 ) 3.72 1.92 1.92 assign ( resid 73 and name HG1 ) ( resid 74 and name HN ) 3.90 2.10 2.10 assign ( resid 74 and name HN ) ( resid 74 and name HG2 ) 3.23 1.44 1.44 assign ( resid 74 and name HA ) ( resid 74 and name HG2 ) 2.98 1.18 1.18 assign ( resid 74 and name HG2 ) ( resid 75 and name HN ) 3.90 2.10 2.10 assign ( resid 74 and name HN ) ( resid 74 and name HG1 ) 3.23 1.44 1.44 assign ( resid 74 and name HA ) ( resid 74 and name HG1 ) 2.98 1.18 1.18 assign ( resid 76 and name HA ) ( resid 76 and name HG2 ) 2.84 1.04 1.04 assign ( resid 76 and name HA ) ( resid 76 and name HG1 ) 2.84 1.04 1.04 assign ( resid 79 and name HG2 ) ( resid 80 and name HN ) 3.90 2.10 2.10 assign ( resid 79 and name HN ) ( resid 79 and name HD2 ) 3.90 2.10 2.10 assign ( resid 79 and name HA ) ( resid 79 and name HD2 ) 3.90 2.10 2.10 assign ( resid 79 and name HN ) ( resid 79 and name HD1 ) 3.90 2.10 2.10 assign ( resid 79 and name HA ) ( resid 79 and name HD1 ) 3.90 2.10 2.10 assign ( resid 79 and name HB2 ) ( resid 79 and name HE* ) 4.14 2.35 2.35 assign ( resid 79 and name HB1 ) ( resid 79 and name HE* ) 4.14 2.35 2.35 assign ( resid 97 and name HB* ) ( resid 97 and name HE* ) 4.78 2.98 2.98 assign ( resid 97 and name HG* ) ( resid 98 and name HN ) 4.34 2.54 2.54 assign ( resid 97 and name HA ) ( resid 97 and name HD* ) 4.32 2.53 2.53 assign ( resid 97 and name HA ) ( resid 97 and name HE* ) 4.18 2.38 2.38 assign ( resid 100 and name HN ) ( resid 100 and name HG2 ) 3.90 2.10 2.10 assign ( resid 100 and name HN ) ( resid 100 and name HG1 ) 3.90 2.10 2.10 assign ( resid 100 and name HG1 ) ( resid 101 and name HN ) 3.90 2.10 2.10 assign ( resid 100 and name HA ) ( resid 100 and name HD2 ) 3.90 2.10 2.10 assign ( resid 100 and name HA ) ( resid 100 and name HD1 ) 3.90 2.10 2.10 assign ( resid 100 and name HA ) ( resid 100 and name HE* ) 4.34 2.54 2.54 assign ( resid 100 and name HB2 ) ( resid 100 and name HE* ) 4.34 2.54 2.54 assign ( resid 100 and name HB1 ) ( resid 100 and name HE* ) 4.34 2.54 2.54 assign ( resid 102 and name HG12 ) ( resid 103 and name HN ) 3.90 2.10 2.10 assign ( resid 104 and name HN ) ( resid 104 and name HG2 ) 3.07 1.27 1.27 assign ( resid 104 and name HA ) ( resid 104 and name HG2 ) 2.91 1.11 1.11 assign ( resid 104 and name HG2 ) ( resid 105 and name HN ) 3.90 2.10 2.10 assign ( resid 104 and name HN ) ( resid 104 and name HG1 ) 3.07 1.27 1.27 assign ( resid 104 and name HA ) ( resid 104 and name HG1 ) 2.91 1.11 1.11 assign ( resid 104 and name HG1 ) ( resid 105 and name HN ) 3.90 2.10 2.10 assign ( resid 107 and name HA ) ( resid 107 and name HG ) 2.89 1.09 1.09 assign ( resid 110 and name HA ) ( resid 110 and name HG ) 2.69 0.90 0.90 assign ( resid 114 and name HA ) ( resid 114 and name HD* ) 4.10 2.31 2.31 assign ( resid 114 and name HG2 ) ( resid 115 and name HN ) 3.90 2.10 2.10 assign ( resid 114 and name HG1 ) ( resid 115 and name HN ) 3.90 2.10 2.10 assign ( resid 114 and name HN ) ( resid 114 and name HD* ) 4.34 2.54 2.54 assign ( resid 119 and name HA ) ( resid 119 and name HD* ) 4.34 2.54 2.54 assign ( resid 13 and name HA ) ( resid 82 and name HE* ) 4.96 3.17 3.17 assign ( resid 14 and name HG1* ) ( resid 111 and name HA ) 4.28 2.49 2.49 assign ( resid 14 and name HG1* ) ( resid 114 and name HE* ) 4.22 2.43 2.43 assign ( resid 15 and name HG1 ) ( resid 19 and name HE* ) 4.19 2.40 2.40 assign ( resid 15 and name HG2 ) ( resid 19 and name HE* ) 4.19 2.40 2.40 assign ( resid 15 and name HG1 ) ( resid 19 and name HD* ) 3.67 1.88 1.88 assign ( resid 15 and name HG2 ) ( resid 19 and name HD* ) 3.67 1.88 1.88 assign ( resid 21 and name HA ) ( resid 99 and name HE* ) 4.24 2.45 2.45 assign ( resid 21 and name HA ) ( resid 99 and name HZ ) 3.18 1.38 1.38 assign ( resid 24 and name HE* ) ( resid 92 and name HA ) 4.12 2.32 2.32 assign ( resid 24 and name HD* ) ( resid 25 and name HA ) 4.96 3.17 3.17 assign ( resid 37 and name HE* ) ( resid 41 and name HB* ) 5.40 3.61 3.61 assign ( resid 41 and name HB* ) ( resid 42 and name HD2 ) 4.34 2.54 2.54 assign ( resid 41 and name HB* ) ( resid 42 and name HD1 ) 4.34 2.54 2.54 assign ( resid 41 and name HN ) ( resid 42 and name HD1 ) 3.90 2.10 2.10 assign ( resid 43 and name HA ) ( resid 46 and name HG* ) 4.34 2.54 2.54 assign ( resid 51 and name HA ) ( resid 54 and name HE3 ) 3.88 2.08 2.08 assign ( resid 57 and name HA1 ) ( resid 60 and name HG* ) 4.34 2.54 2.54 assign ( resid 59 and name HA ) ( resid 62 and name HG1* ) 3.87 2.07 2.07 assign ( resid 64 and name HB ) ( resid 65 and name HG* ) 4.34 2.54 2.54 assign ( resid 69 and name HD* ) ( resid 70 and name HN ) 4.96 3.17 3.17 assign ( resid 73 and name HA ) ( resid 76 and name HG1 ) 3.90 2.10 2.10 assign ( resid 73 and name HA ) ( resid 76 and name HG2 ) 3.90 2.10 2.10 assign ( resid 72 and name HG* ) ( resid 76 and name HG1 ) 4.34 2.54 2.54 assign ( resid 72 and name HG* ) ( resid 76 and name HG2 ) 4.34 2.54 2.54 assign ( resid 54 and name HZ3 ) ( resid 78 and name HB ) 3.05 1.26 1.26 assign ( resid 54 and name HH2 ) ( resid 78 and name HB ) 3.88 2.08 2.08 assign ( resid 82 and name HD* ) ( resid 83 and name HG ) 4.69 2.90 2.90 assign ( resid 82 and name HB1 ) ( resid 83 and name HG ) 3.90 2.10 2.10 assign ( resid 86 and name HA ) ( resid 90 and name HE* ) 4.96 3.17 3.17 assign ( resid 99 and name HA ) ( resid 102 and name HG12 ) 3.90 2.10 2.10 assign ( resid 99 and name HA ) ( resid 102 and name HG11 ) 3.90 2.10 2.10 assign ( resid 111 and name HA ) ( resid 114 and name HD* ) 4.34 2.54 2.54 assign ( resid 114 and name HA ) ( resid 114 and name HE* ) 4.34 2.54 2.54 assign ( resid 111 and name HA ) ( resid 114 and name HE* ) 4.34 2.54 2.54 assign ( resid 114 and name HB1 ) ( resid 114 and name HE* ) 3.17 1.37 1.37 assign ( resid 114 and name HB2 ) ( resid 114 and name HE* ) 4.10 2.31 2.31 assign ( resid 114 and name HN ) ( resid 114 and name HE* ) 4.34 2.54 2.54 assign ( resid 36 and name HE* ) ( resid 41 and name HB* ) 5.40 3.61 3.61 assign ( resid 36 and name HD* ) ( resid 41 and name HB* ) 5.40 3.61 3.61 assign ( resid 60 and name HA ) ( resid 63 and name HD2 ) 3.90 2.10 2.10 assign ( resid 68 and name HA ) ( resid 68 and name HG2 ) 2.94 1.15 1.15 assign ( resid 68 and name HA ) ( resid 68 and name HD2 ) 3.90 2.10 2.10 assign ( resid 68 and name HB2 ) ( resid 68 and name HE* ) 3.51 1.72 1.72 assign ( resid 68 and name HB1 ) ( resid 68 and name HE* ) 3.51 1.72 1.72 assign ( resid 68 and name HA ) ( resid 68 and name HG1 ) 2.94 1.15 1.15 assign ( resid 68 and name HA ) ( resid 68 and name HD1 ) 3.90 2.10 2.10 assign ( resid 68 and name HE* ) ( resid 69 and name HE* ) 4.92 3.12 3.12 assign ( resid 68 and name HE* ) ( resid 69 and name HD* ) 5.40 3.61 3.61 assign ( resid 68 and name HD1 ) ( resid 69 and name HE* ) 4.96 3.17 3.17 assign ( resid 68 and name HB2 ) ( resid 69 and name HD* ) 4.96 3.17 3.17 assign ( resid 68 and name HG2 ) ( resid 69 and name HD* ) 4.96 3.17 3.17 assign ( resid 123 and name HA ) ( resid 123 and name HD* ) 4.16 2.36 2.36 assign ( resid 125 and name HA ) ( resid 125 and name HG1 ) 2.66 0.86 0.86 assign ( resid 125 and name HA ) ( resid 125 and name HG2 ) 2.66 0.86 0.86 assign ( resid 60 and name HA ) ( resid 63 and name HG1 ) 3.90 2.10 2.10 assign ( resid 60 and name HA ) ( resid 63 and name HD1 ) 3.90 2.10 2.10 assign ( resid 60 and name HA ) ( resid 63 and name HG2 ) 3.90 2.10 2.10 assign ( resid 7 and name HA ) ( resid 10 and name HG1 ) 3.52 1.72 1.72 assign ( resid 120 and name HA ) ( resid 120 and name HG2 ) 2.85 1.06 1.06 assign ( resid 120 and name HA ) ( resid 120 and name HG1 ) 2.85 1.06 1.06 assign ( resid 71 and name HN ) ( resid 71 and name HD2 ) 3.90 2.10 2.10 assign ( resid 34 and name HD* ) ( resid 90 and name HA ) 4.96 3.17 3.17 assign ( resid 92 and name HA ) ( resid 92 and name HD2 ) 3.74 1.94 1.94 assign ( resid 92 and name HN ) ( resid 92 and name HD2 ) 3.65 1.85 1.85 assign ( resid 93 and name HA ) ( resid 93 and name HD2 ) 3.90 2.10 2.10 assign ( resid 111 and name HA ) ( resid 111 and name HD2 ) 3.90 2.10 2.10 assign ( resid 111 and name HN ) ( resid 111 and name HD2 ) 3.74 1.94 1.94 assign ( resid 24 and name HD* ) ( resid 92 and name HA ) 4.57 2.77 2.77 assign ( resid 24 and name HD* ) ( resid 96 and name HA ) 4.96 3.17 3.17 assign ( resid 24 and name HE* ) ( resid 96 and name HE* ) 5.41 3.61 3.61 assign ( resid 24 and name HE* ) ( resid 96 and name HD* ) 5.41 3.61 3.61 assign ( resid 24 and name HE* ) ( resid 96 and name HG* ) 5.41 3.61 3.61 assign ( resid 36 and name HD* ) ( resid 40 and name HB ) 4.96 3.17 3.17 assign ( resid 37 and name HD* ) ( resid 41 and name HB* ) 5.19 3.39 3.39 assign ( resid 10 and name HN ) ( resid 54 and name HD1 ) 3.90 2.10 2.10 assign ( resid 10 and name HG1 ) ( resid 54 and name HD1 ) 3.90 2.10 2.10 assign ( resid 10 and name HA ) ( resid 54 and name HD1 ) 3.90 2.10 2.10 assign ( resid 9 and name HB* ) ( resid 54 and name HD1 ) 4.34 2.54 2.54 assign ( resid 54 and name HZ2 ) ( resid 113 and name HB ) 3.84 2.05 2.05 assign ( resid 54 and name HH2 ) ( resid 75 and name HA ) 3.90 2.10 2.10 assign ( resid 54 and name HZ2 ) ( resid 110 and name HA ) 3.90 2.10 2.10 assign ( resid 54 and name HE3 ) ( resid 55 and name HA ) 3.90 2.10 2.10 assign ( resid 54 and name HZ3 ) ( resid 75 and name HA ) 3.90 2.10 2.10 assign ( resid 54 and name HZ3 ) ( resid 55 and name HA ) 3.84 2.05 2.05 assign ( resid 68 and name HB1 ) ( resid 69 and name HD* ) 4.96 3.17 3.17 assign ( resid 69 and name HD* ) ( resid 116 and name HA ) 4.78 2.99 2.99 assign ( resid 69 and name HE* ) ( resid 116 and name HA ) 4.96 3.17 3.17 assign ( resid 69 and name HE* ) ( resid 119 and name HD* ) 5.41 3.61 3.61 assign ( resid 68 and name HB1 ) ( resid 69 and name HE* ) 4.96 3.17 3.17 assign ( resid 68 and name HG1 ) ( resid 69 and name HD* ) 4.96 3.17 3.17 assign ( resid 68 and name HB2 ) ( resid 69 and name HE* ) 4.96 3.17 3.17 assign ( resid 68 and name HG1 ) ( resid 69 and name HE* ) 4.96 3.17 3.17 assign ( resid 68 and name HG2 ) ( resid 69 and name HE* ) 4.96 3.17 3.17 assign ( resid 47 and name HB2 ) ( resid 82 and name HD* ) 4.96 3.17 3.17 assign ( resid 13 and name HG* ) ( resid 82 and name HE* ) 5.40 3.61 3.61 assign ( resid 24 and name HD* ) ( resid 92 and name HD2 ) 4.96 3.17 3.17 assign ( resid 24 and name HA ) ( resid 92 and name HD2 ) 3.90 2.10 2.10 assign ( resid 89 and name HA ) ( resid 99 and name HE* ) 4.96 3.17 3.17 assign ( resid 85 and name HA ) ( resid 99 and name HE* ) 4.96 3.17 3.17 assign ( resid 85 and name HG ) ( resid 99 and name HD* ) 4.96 3.17 3.17 assign ( resid 85 and name HG ) ( resid 99 and name HE* ) 4.96 3.17 3.17 assign ( resid 89 and name HA ) ( resid 99 and name HZ ) 3.90 2.10 2.10 assign ( resid 85 and name HG ) ( resid 99 and name HZ ) 3.90 2.10 2.10 assign ( resid 108 and name HD* ) ( resid 109 and name HN ) 4.96 3.17 3.17 assign ( resid 108 and name HE* ) ( resid 109 and name HA ) 4.96 3.17 3.17 assign ( resid 108 and name HD* ) ( resid 109 and name HA ) 4.58 2.79 2.79 assign ( resid 107 and name HA ) ( resid 111 and name HD2 ) 3.79 1.99 1.99 assign ( resid 107 and name HB1 ) ( resid 111 and name HD2 ) 3.30 1.51 1.51 assign ( resid 110 and name HG ) ( resid 111 and name HD2 ) 3.90 2.10 2.10 assign ( resid 107 and name HB2 ) ( resid 111 and name HD2 ) 3.90 2.10 2.10 assign ( resid 21 and name HA ) ( resid 24 and name HD* ) 4.96 3.17 3.17 assign ( resid 88 and name HG* ) ( resid 99 and name HD* ) 5.40 3.61 3.61 assign ( resid 68 and name HD2 ) ( resid 69 and name HE* ) 4.96 3.17 3.17 assign ( resid 7 and name HA ) ( resid 7 and name HD2* ) 3.76 1.96 1.96 assign ( resid 7 and name HN ) ( resid 7 and name HD1* ) 4.41 2.61 2.61 assign ( resid 7 and name HA ) ( resid 7 and name HD1* ) 2.73 0.94 0.94 assign ( resid 9 and name HN ) ( resid 9 and name HE* ) 3.34 1.55 1.55 assign ( resid 9 and name HA ) ( resid 9 and name HE* ) 3.97 2.18 2.18 assign ( resid 9 and name HE* ) ( resid 10 and name HN ) 3.94 2.14 2.14 assign ( resid 10 and name HG2* ) ( resid 11 and name HN ) 3.36 1.57 1.57 assign ( resid 13 and name HA ) ( resid 13 and name HE* ) 4.28 2.49 2.49 assign ( resid 13 and name HB2 ) ( resid 13 and name HE* ) 3.70 1.91 1.91 assign ( resid 13 and name HB1 ) ( resid 13 and name HE* ) 3.70 1.91 1.91 assign ( resid 14 and name HG2* ) ( resid 15 and name HN ) 3.22 1.42 1.42 assign ( resid 14 and name HN ) ( resid 14 and name HD1* ) 3.47 1.68 1.68 assign ( resid 14 and name HB ) ( resid 14 and name HD1* ) 2.79 0.99 0.99 assign ( resid 14 and name HD1* ) ( resid 15 and name HN ) 3.67 1.87 1.87 assign ( resid 16 and name HN ) ( resid 16 and name HG2* ) 2.79 0.99 0.99 assign ( resid 16 and name HA ) ( resid 16 and name HG2* ) 2.75 0.96 0.96 assign ( resid 16 and name HG2* ) ( resid 17 and name HN ) 3.40 1.60 1.60 assign ( resid 14 and name HA ) ( resid 17 and name HB* ) 3.31 1.51 1.51 assign ( resid 18 and name HA ) ( resid 21 and name HB* ) 3.09 1.30 1.30 assign ( resid 39 and name HG2* ) ( resid 40 and name HN ) 3.81 2.02 2.02 assign ( resid 40 and name HN ) ( resid 40 and name HD1* ) 3.72 1.93 1.93 assign ( resid 43 and name HN ) ( resid 43 and name HB* ) 2.62 0.83 0.83 assign ( resid 43 and name HB* ) ( resid 44 and name HN ) 2.91 1.12 1.12 assign ( resid 44 and name HG2* ) ( resid 45 and name HN ) 3.51 1.71 1.71 assign ( resid 44 and name HG1* ) ( resid 45 and name HN ) 3.25 1.46 1.46 assign ( resid 48 and name HA ) ( resid 51 and name HB* ) 3.36 1.57 1.57 assign ( resid 49 and name HA ) ( resid 52 and name HB* ) 3.04 1.24 1.24 assign ( resid 50 and name HA ) ( resid 50 and name HD2* ) 3.72 1.93 1.93 assign ( resid 50 and name HA ) ( resid 50 and name HD1* ) 2.99 1.19 1.19 assign ( resid 52 and name HA ) ( resid 55 and name HB* ) 2.93 1.14 1.14 assign ( resid 55 and name HN ) ( resid 55 and name HB* ) 2.66 0.87 0.87 assign ( resid 55 and name HB* ) ( resid 56 and name HN ) 2.70 0.90 0.90 assign ( resid 55 and name HA ) ( resid 58 and name HB* ) 3.06 1.26 1.26 assign ( resid 59 and name HN ) ( resid 59 and name HD1* ) 3.15 1.35 1.35 assign ( resid 59 and name HA ) ( resid 59 and name HD1* ) 3.18 1.39 1.39 assign ( resid 59 and name HB1 ) ( resid 59 and name HD1* ) 2.68 0.88 0.88 assign ( resid 59 and name HD1* ) ( resid 60 and name HN ) 4.16 2.36 2.36 assign ( resid 59 and name HN ) ( resid 59 and name HD2* ) 3.61 1.82 1.82 assign ( resid 59 and name HA ) ( resid 59 and name HD2* ) 2.91 1.12 1.12 assign ( resid 61 and name HN ) ( resid 61 and name HD2* ) 4.23 2.43 2.43 assign ( resid 61 and name HA ) ( resid 61 and name HD2* ) 3.60 1.80 1.80 assign ( resid 61 and name HN ) ( resid 61 and name HD1* ) 3.33 1.53 1.53 assign ( resid 61 and name HA ) ( resid 61 and name HD1* ) 2.71 0.92 0.92 assign ( resid 62 and name HN ) ( resid 62 and name HG2* ) 3.25 1.46 1.46 assign ( resid 62 and name HG2* ) ( resid 63 and name HN ) 3.61 1.82 1.82 assign ( resid 62 and name HN ) ( resid 62 and name HD1* ) 3.08 1.28 1.28 assign ( resid 62 and name HB ) ( resid 62 and name HD1* ) 2.79 0.99 0.99 assign ( resid 64 and name HN ) ( resid 64 and name HG2* ) 2.73 0.94 0.94 assign ( resid 64 and name HA ) ( resid 64 and name HG2* ) 2.61 0.81 0.81 assign ( resid 64 and name HG2* ) ( resid 65 and name HN ) 3.54 1.75 1.75 assign ( resid 64 and name HN ) ( resid 64 and name HG1* ) 3.11 1.32 1.32 assign ( resid 64 and name HA ) ( resid 64 and name HG1* ) 2.70 0.90 0.90 assign ( resid 64 and name HG1* ) ( resid 65 and name HN ) 3.87 2.07 2.07 assign ( resid 70 and name HN ) ( resid 70 and name HG1* ) 3.06 1.26 1.26 assign ( resid 70 and name HG1* ) ( resid 71 and name HN ) 3.24 1.44 1.44 assign ( resid 70 and name HG2* ) ( resid 71 and name HN ) 3.15 1.35 1.35 assign ( resid 75 and name HN ) ( resid 75 and name HG2* ) 3.24 1.44 1.44 assign ( resid 75 and name HG2* ) ( resid 76 and name HN ) 3.78 1.98 1.98 assign ( resid 75 and name HN ) ( resid 75 and name HD1* ) 3.09 1.30 1.30 assign ( resid 75 and name HA ) ( resid 75 and name HD1* ) 3.06 1.26 1.26 assign ( resid 75 and name HD1* ) ( resid 76 and name HN ) 3.71 1.91 1.91 assign ( resid 74 and name HA ) ( resid 77 and name HB* ) 2.91 1.12 1.12 assign ( resid 77 and name HN ) ( resid 77 and name HB* ) 2.68 0.88 0.88 assign ( resid 78 and name HG1* ) ( resid 79 and name HN ) 3.60 1.80 1.80 assign ( resid 78 and name HA ) ( resid 78 and name HG2* ) 2.75 0.96 0.96 assign ( resid 78 and name HG2* ) ( resid 79 and name HN ) 3.61 1.82 1.82 assign ( resid 83 and name HN ) ( resid 83 and name HD2* ) 3.45 1.66 1.66 assign ( resid 83 and name HA ) ( resid 83 and name HD2* ) 2.73 0.94 0.94 assign ( resid 83 and name HB1 ) ( resid 83 and name HD2* ) 2.77 0.97 0.97 assign ( resid 83 and name HD2* ) ( resid 84 and name HN ) 4.41 2.61 2.61 assign ( resid 83 and name HN ) ( resid 83 and name HD1* ) 3.56 1.77 1.77 assign ( resid 83 and name HA ) ( resid 83 and name HD1* ) 3.25 1.46 1.46 assign ( resid 83 and name HB1 ) ( resid 83 and name HD1* ) 2.75 0.96 0.96 assign ( resid 83 and name HD1* ) ( resid 84 and name HN ) 4.05 2.25 2.25 assign ( resid 85 and name HA ) ( resid 85 and name HD1* ) 4.41 2.61 2.61 assign ( resid 85 and name HN ) ( resid 85 and name HD2* ) 4.06 2.27 2.27 assign ( resid 85 and name HA ) ( resid 85 and name HD2* ) 3.54 1.75 1.75 assign ( resid 85 and name HD2* ) ( resid 86 and name HN ) 3.70 1.91 1.91 assign ( resid 86 and name HN ) ( resid 86 and name HG2* ) 2.82 1.03 1.03 assign ( resid 86 and name HG2* ) ( resid 87 and name HN ) 3.53 1.73 1.73 assign ( resid 86 and name HG1* ) ( resid 87 and name HN ) 3.33 1.53 1.53 assign ( resid 87 and name HA ) ( resid 87 and name HD1* ) 3.13 1.33 1.33 assign ( resid 87 and name HA ) ( resid 87 and name HD2* ) 3.87 2.07 2.07 assign ( resid 87 and name HD2* ) ( resid 88 and name HN ) 4.06 2.27 2.27 assign ( resid 91 and name HG1* ) ( resid 92 and name HN ) 4.14 2.34 2.34 assign ( resid 91 and name HN ) ( resid 91 and name HG2* ) 2.98 1.19 1.19 assign ( resid 91 and name HG2* ) ( resid 92 and name HN ) 3.45 1.66 1.66 assign ( resid 94 and name HN ) ( resid 94 and name HG2* ) 3.16 1.37 1.37 assign ( resid 102 and name HN ) ( resid 102 and name HG2* ) 3.16 1.37 1.37 assign ( resid 102 and name HN ) ( resid 102 and name HD1* ) 3.80 2.00 2.00 assign ( resid 102 and name HD1* ) ( resid 103 and name HN ) 4.41 2.61 2.61 assign ( resid 103 and name HN ) ( resid 103 and name HG2* ) 3.29 1.50 1.50 assign ( resid 103 and name HG2* ) ( resid 104 and name HN ) 3.13 1.33 1.33 assign ( resid 106 and name HG1* ) ( resid 107 and name HN ) 3.45 1.66 1.66 assign ( resid 106 and name HN ) ( resid 106 and name HG2* ) 2.93 1.14 1.14 assign ( resid 106 and name HA ) ( resid 106 and name HG2* ) 2.77 0.97 0.97 assign ( resid 106 and name HG2* ) ( resid 107 and name HN ) 3.61 1.82 1.82 assign ( resid 107 and name HN ) ( resid 107 and name HD2* ) 3.22 1.42 1.42 assign ( resid 107 and name HA ) ( resid 107 and name HD2* ) 2.90 1.10 1.10 assign ( resid 107 and name HB1 ) ( resid 107 and name HD2* ) 2.72 0.92 0.92 assign ( resid 107 and name HD2* ) ( resid 108 and name HN ) 3.96 2.16 2.16 assign ( resid 107 and name HN ) ( resid 107 and name HD1* ) 3.45 1.66 1.66 assign ( resid 107 and name HA ) ( resid 107 and name HD1* ) 3.18 1.39 1.39 assign ( resid 107 and name HD1* ) ( resid 108 and name HN ) 4.12 2.32 2.32 assign ( resid 110 and name HA ) ( resid 110 and name HD2* ) 2.93 1.14 1.14 assign ( resid 110 and name HD2* ) ( resid 111 and name HN ) 4.41 2.61 2.61 assign ( resid 110 and name HA ) ( resid 110 and name HD1* ) 3.34 1.55 1.55 assign ( resid 110 and name HD1* ) ( resid 111 and name HN ) 4.41 2.61 2.61 assign ( resid 109 and name HA ) ( resid 112 and name HB* ) 2.86 1.06 1.06 assign ( resid 112 and name HN ) ( resid 112 and name HB* ) 2.73 0.94 0.94 assign ( resid 112 and name HB* ) ( resid 113 and name HN ) 3.00 1.21 1.21 assign ( resid 113 and name HN ) ( resid 113 and name HG2* ) 2.89 1.10 1.10 assign ( resid 115 and name HA ) ( resid 118 and name HB* ) 2.95 1.15 1.15 assign ( resid 7 and name HD1* ) ( resid 10 and name HB ) 3.40 1.60 1.60 assign ( resid 7 and name HD1* ) ( resid 114 and name HA ) 3.42 1.62 1.62 assign ( resid 7 and name HD1* ) ( resid 10 and name HG1 ) 4.28 2.49 2.49 assign ( resid 7 and name HD2* ) ( resid 11 and name HG2 ) 4.41 2.61 2.61 assign ( resid 7 and name HD2* ) ( resid 11 and name HG1 ) 4.41 2.61 2.61 assign ( resid 7 and name HD1* ) ( resid 8 and name HA ) 4.06 2.27 2.27 assign ( resid 6 and name HD1* ) ( resid 9 and name HE* ) 3.78 1.99 1.99 assign ( resid 9 and name HE* ) ( resid 57 and name HA1 ) 2.91 1.12 1.12 assign ( resid 6 and name HA ) ( resid 9 and name HE* ) 2.75 0.96 0.96 assign ( resid 9 and name HE* ) ( resid 57 and name HA2 ) 3.90 2.11 2.11 assign ( resid 9 and name HE* ) ( resid 58 and name HN ) 4.41 2.61 2.61 assign ( resid 9 and name HE* ) ( resid 54 and name HN ) 4.01 2.22 2.22 assign ( resid 9 and name HE* ) ( resid 57 and name HN ) 3.99 2.20 2.20 assign ( resid 10 and name HG2* ) ( resid 110 and name HA ) 3.38 1.59 1.59 assign ( resid 7 and name HA ) ( resid 10 and name HG2* ) 4.14 2.34 2.34 assign ( resid 10 and name HG2* ) ( resid 54 and name HE1 ) 3.24 1.44 1.44 assign ( resid 10 and name HG2* ) ( resid 114 and name HN ) 3.49 1.69 1.69 assign ( resid 10 and name HG2* ) ( resid 13 and name HN ) 4.41 2.61 2.61 assign ( resid 10 and name HG2* ) ( resid 113 and name HB ) 3.85 2.05 2.05 assign ( resid 10 and name HG2* ) ( resid 114 and name HB1 ) 3.31 1.51 1.51 assign ( resid 10 and name HG2* ) ( resid 114 and name HB2 ) 3.25 1.46 1.46 assign ( resid 10 and name HG2* ) ( resid 114 and name HG1 ) 3.78 1.98 1.98 assign ( resid 10 and name HG2* ) ( resid 14 and name HD1* ) 3.87 2.08 2.08 assign ( resid 7 and name HD1* ) ( resid 11 and name HG2 ) 3.49 1.69 1.69 assign ( resid 7 and name HD1* ) ( resid 11 and name HG1 ) 3.49 1.69 1.69 assign ( resid 12 and name HG2 ) ( resid 16 and name HG2* ) 3.58 1.78 1.78 assign ( resid 12 and name HG1 ) ( resid 16 and name HG2* ) 3.58 1.78 1.78 assign ( resid 12 and name HG1 ) ( resid 50 and name HD2* ) 3.24 1.44 1.44 assign ( resid 12 and name HG2 ) ( resid 50 and name HD2* ) 3.24 1.44 1.44 assign ( resid 12 and name HB1 ) ( resid 50 and name HD2* ) 3.65 1.86 1.86 assign ( resid 12 and name HB2 ) ( resid 50 and name HD2* ) 3.65 1.86 1.86 assign ( resid 13 and name HE* ) ( resid 50 and name HB2 ) 3.69 1.89 1.89 assign ( resid 13 and name HE* ) ( resid 82 and name HB2 ) 4.32 2.52 2.52 assign ( resid 13 and name HE* ) ( resid 82 and name HB1 ) 4.30 2.50 2.50 assign ( resid 13 and name HE* ) ( resid 51 and name HA ) 3.38 1.59 1.59 assign ( resid 13 and name HE* ) ( resid 82 and name HE* ) 4.82 3.03 3.03 assign ( resid 13 and name HE* ) ( resid 82 and name HD* ) 4.99 3.19 3.19 assign ( resid 11 and name HN ) ( resid 14 and name HD1* ) 4.41 2.61 2.61 assign ( resid 14 and name HG2* ) ( resid 111 and name HN ) 4.41 2.61 2.61 assign ( resid 14 and name HG2* ) ( resid 17 and name HN ) 4.41 2.61 2.61 assign ( resid 11 and name HA ) ( resid 14 and name HD1* ) 3.09 1.30 1.30 assign ( resid 11 and name HA ) ( resid 14 and name HG2* ) 3.74 1.95 1.95 assign ( resid 14 and name HG2* ) ( resid 111 and name HA ) 3.96 2.16 2.16 assign ( resid 14 and name HG2* ) ( resid 15 and name HA ) 3.69 1.89 1.89 assign ( resid 14 and name HG2* ) ( resid 107 and name HD2* ) 3.93 2.13 2.13 assign ( resid 14 and name HD1* ) ( resid 114 and name HG2 ) 3.89 2.09 2.09 assign ( resid 14 and name HD1* ) ( resid 114 and name HB1 ) 3.65 1.86 1.86 assign ( resid 14 and name HG2* ) ( resid 18 and name HG2 ) 3.51 1.71 1.71 assign ( resid 14 and name HG2* ) ( resid 18 and name HB2 ) 4.30 2.50 2.50 assign ( resid 14 and name HG2* ) ( resid 18 and name HG1 ) 3.51 1.71 1.71 assign ( resid 10 and name HG2* ) ( resid 14 and name HG2* ) 4.92 3.12 3.12 assign ( resid 13 and name HE* ) ( resid 110 and name HD2* ) 4.20 2.40 2.40 assign ( resid 14 and name HG2* ) ( resid 110 and name HD1* ) 4.32 2.53 2.53 assign ( resid 14 and name HA ) ( resid 110 and name HD1* ) 3.22 1.42 1.42 assign ( resid 14 and name HD1* ) ( resid 110 and name HD1* ) 3.87 2.08 2.08 assign ( resid 16 and name HG1* ) ( resid 82 and name HE* ) 4.84 3.05 3.05 assign ( resid 16 and name HG1* ) ( resid 82 and name HZ ) 3.36 1.57 1.57 assign ( resid 16 and name HG1* ) ( resid 82 and name HD* ) 5.47 3.68 3.68 assign ( resid 16 and name HG2* ) ( resid 47 and name HD21 ) 3.56 1.77 1.77 assign ( resid 12 and name HE21 ) ( resid 16 and name HG2* ) 3.83 2.04 2.04 assign ( resid 16 and name HG2* ) ( resid 82 and name HZ ) 3.58 1.78 1.78 assign ( resid 12 and name HE22 ) ( resid 16 and name HG2* ) 3.83 2.04 2.04 assign ( resid 13 and name HA ) ( resid 16 and name HG2* ) 3.06 1.26 1.26 assign ( resid 13 and name HA ) ( resid 16 and name HG1* ) 3.99 2.20 2.20 assign ( resid 16 and name HG1* ) ( resid 17 and name HA ) 4.14 2.34 2.34 assign ( resid 12 and name HA ) ( resid 16 and name HG2* ) 3.51 1.71 1.71 assign ( resid 16 and name HG1* ) ( resid 86 and name HG2* ) 3.94 2.15 2.15 assign ( resid 16 and name HG2* ) ( resid 86 and name HG2* ) 4.66 2.87 2.87 assign ( resid 17 and name HB* ) ( resid 82 and name HE* ) 5.33 3.53 3.53 assign ( resid 17 and name HB* ) ( resid 82 and name HD* ) 5.47 3.68 3.68 assign ( resid 17 and name HB* ) ( resid 21 and name HB* ) 4.32 2.53 2.53 assign ( resid 17 and name HB* ) ( resid 106 and name HB ) 4.41 2.61 2.61 assign ( resid 17 and name HB* ) ( resid 18 and name HB2 ) 4.39 2.59 2.59 assign ( resid 17 and name HB* ) ( resid 107 and name HD2* ) 3.89 2.10 2.10 assign ( resid 17 and name HB* ) ( resid 107 and name HD1* ) 4.66 2.87 2.87 assign ( resid 17 and name HB* ) ( resid 85 and name HD2* ) 3.84 2.04 2.04 assign ( resid 17 and name HB* ) ( resid 110 and name HD1* ) 4.66 2.87 2.87 assign ( resid 18 and name HA ) ( resid 107 and name HD2* ) 4.03 2.23 2.23 assign ( resid 18 and name HG1 ) ( resid 107 and name HD2* ) 3.56 1.77 1.77 assign ( resid 20 and name HA1 ) ( resid 85 and name HD2* ) 4.37 2.58 2.58 assign ( resid 20 and name HA2 ) ( resid 85 and name HD2* ) 4.41 2.61 2.61 assign ( resid 21 and name HB* ) ( resid 99 and name HE* ) 4.55 2.76 2.76 assign ( resid 21 and name HB* ) ( resid 99 and name HZ ) 3.88 2.09 2.09 assign ( resid 21 and name HB* ) ( resid 85 and name HD2* ) 4.92 3.12 3.12 assign ( resid 21 and name HB* ) ( resid 107 and name HD1* ) 4.92 3.12 3.12 assign ( resid 21 and name HA ) ( resid 85 and name HD2* ) 4.41 2.61 2.61 assign ( resid 21 and name HB* ) ( resid 22 and name HA ) 3.83 2.04 2.04 assign ( resid 34 and name HD* ) ( resid 39 and name HG2* ) 4.55 2.76 2.76 assign ( resid 39 and name HG2* ) ( resid 90 and name HE* ) 4.90 3.10 3.10 assign ( resid 39 and name HG2* ) ( resid 90 and name HD* ) 5.47 3.68 3.68 assign ( resid 39 and name HG2* ) ( resid 40 and name HA ) 4.10 2.31 2.31 assign ( resid 34 and name HB* ) ( resid 39 and name HG2* ) 4.85 3.05 3.05 assign ( resid 40 and name HG2* ) ( resid 90 and name HB2 ) 4.23 2.43 2.43 assign ( resid 40 and name HD1* ) ( resid 90 and name HB2 ) 3.36 1.57 1.57 assign ( resid 37 and name HA ) ( resid 40 and name HD1* ) 4.19 2.40 2.40 assign ( resid 37 and name HA ) ( resid 40 and name HG2* ) 3.97 2.18 2.18 assign ( resid 36 and name HD* ) ( resid 40 and name HD1* ) 5.40 3.60 3.60 assign ( resid 36 and name HD* ) ( resid 40 and name HG2* ) 4.93 3.14 3.14 assign ( resid 36 and name HE* ) ( resid 40 and name HG2* ) 4.90 3.10 3.10 assign ( resid 40 and name HG2* ) ( resid 41 and name HN ) 3.54 1.75 1.75 assign ( resid 37 and name HD* ) ( resid 40 and name HG2* ) 5.47 3.68 3.68 assign ( resid 40 and name HD1* ) ( resid 41 and name HN ) 4.41 2.61 2.61 assign ( resid 43 and name HB* ) ( resid 47 and name HD21 ) 4.08 2.29 2.29 assign ( resid 43 and name HB* ) ( resid 47 and name HN ) 4.41 2.61 2.61 assign ( resid 43 and name HB* ) ( resid 90 and name HE* ) 4.52 2.72 2.72 assign ( resid 43 and name HB* ) ( resid 44 and name HA ) 4.17 2.38 2.38 assign ( resid 43 and name HB* ) ( resid 46 and name HB2 ) 3.70 1.91 1.91 assign ( resid 43 and name HB* ) ( resid 46 and name HB1 ) 4.21 2.41 2.41 assign ( resid 40 and name HA ) ( resid 43 and name HB* ) 3.61 1.82 1.82 assign ( resid 43 and name HB* ) ( resid 47 and name HB2 ) 4.41 2.61 2.61 assign ( resid 43 and name HB* ) ( resid 86 and name HG1* ) 4.12 2.33 2.33 assign ( resid 43 and name HB* ) ( resid 86 and name HG2* ) 4.92 3.12 3.12 assign ( resid 41 and name HA ) ( resid 44 and name HG2* ) 4.41 2.61 2.61 assign ( resid 41 and name HA ) ( resid 44 and name HG1* ) 4.17 2.38 2.38 assign ( resid 63 and name HE* ) ( resid 64 and name HG1* ) 4.85 3.05 3.05 assign ( resid 43 and name HB* ) ( resid 46 and name HG* ) 4.42 2.62 2.62 assign ( resid 49 and name HG1 ) ( resid 52 and name HB* ) 4.08 2.29 2.29 assign ( resid 49 and name HG2 ) ( resid 52 and name HB* ) 4.08 2.29 2.29 assign ( resid 13 and name HN ) ( resid 50 and name HD1* ) 4.23 2.43 2.43 assign ( resid 9 and name HG2 ) ( resid 50 and name HD1* ) 3.78 1.98 1.98 assign ( resid 9 and name HB* ) ( resid 50 and name HD1* ) 4.56 2.76 2.76 assign ( resid 9 and name HG1 ) ( resid 50 and name HD1* ) 3.78 1.98 1.98 assign ( resid 46 and name HB2 ) ( resid 50 and name HD1* ) 3.69 1.89 1.89 assign ( resid 46 and name HG* ) ( resid 50 and name HD1* ) 4.81 3.02 3.02 assign ( resid 16 and name HG2* ) ( resid 50 and name HD2* ) 4.57 2.78 2.78 assign ( resid 51 and name HB* ) ( resid 83 and name HD1* ) 4.70 2.91 2.91 assign ( resid 51 and name HB* ) ( resid 79 and name HE* ) 4.85 3.05 3.05 assign ( resid 51 and name HB* ) ( resid 79 and name HA ) 3.72 1.93 1.93 assign ( resid 51 and name HB* ) ( resid 82 and name HE* ) 4.61 2.81 2.81 assign ( resid 51 and name HB* ) ( resid 82 and name HD* ) 4.50 2.70 2.70 assign ( resid 51 and name HB* ) ( resid 55 and name HN ) 4.21 2.41 2.41 assign ( resid 9 and name HE* ) ( resid 54 and name HA ) 3.51 1.71 1.71 assign ( resid 6 and name HD1* ) ( resid 54 and name HA ) 3.63 1.84 1.84 assign ( resid 55 and name HB* ) ( resid 58 and name HB* ) 4.25 2.46 2.46 assign ( resid 55 and name HB* ) ( resid 75 and name HD1* ) 4.92 3.12 3.12 assign ( resid 55 and name HB* ) ( resid 75 and name HG2* ) 3.84 2.04 2.04 assign ( resid 55 and name HB* ) ( resid 56 and name HA ) 4.41 2.61 2.61 assign ( resid 54 and name HZ3 ) ( resid 55 and name HB* ) 4.06 2.27 2.27 assign ( resid 54 and name HE3 ) ( resid 55 and name HB* ) 3.63 1.84 1.84 assign ( resid 55 and name HB* ) ( resid 59 and name HN ) 4.03 2.23 2.23 assign ( resid 55 and name HB* ) ( resid 79 and name HN ) 4.41 2.61 2.61 assign ( resid 56 and name HA ) ( resid 59 and name HD1* ) 3.18 1.39 1.39 assign ( resid 56 and name HG2 ) ( resid 59 and name HD1* ) 4.37 2.58 2.58 assign ( resid 56 and name HG1 ) ( resid 59 and name HD1* ) 4.37 2.58 2.58 assign ( resid 57 and name HN ) ( resid 58 and name HB* ) 4.33 2.54 2.54 assign ( resid 54 and name HE3 ) ( resid 58 and name HB* ) 3.74 1.95 1.95 assign ( resid 54 and name HZ3 ) ( resid 58 and name HB* ) 3.87 2.07 2.07 assign ( resid 58 and name HB* ) ( resid 75 and name HB ) 4.41 2.61 2.61 assign ( resid 9 and name HE* ) ( resid 58 and name HB* ) 4.92 3.12 3.12 assign ( resid 58 and name HB* ) ( resid 59 and name HG ) 3.94 2.14 2.14 assign ( resid 58 and name HB* ) ( resid 62 and name HG2* ) 4.36 2.56 2.56 assign ( resid 58 and name HB* ) ( resid 113 and name HG1* ) 4.18 2.38 2.38 assign ( resid 56 and name HN ) ( resid 59 and name HD1* ) 4.05 2.25 2.25 assign ( resid 59 and name HD2* ) ( resid 72 and name HA ) 4.37 2.58 2.58 assign ( resid 59 and name HD1* ) ( resid 76 and name HB* ) 4.09 2.30 2.30 assign ( resid 55 and name HB* ) ( resid 59 and name HD1* ) 4.07 2.28 2.28 assign ( resid 59 and name HD2* ) ( resid 72 and name HE* ) 4.85 3.05 3.05 assign ( resid 60 and name HG* ) ( resid 64 and name HG2* ) 3.82 2.03 2.03 assign ( resid 60 and name HG* ) ( resid 64 and name HG1* ) 4.27 2.48 2.48 assign ( resid 60 and name HG* ) ( resid 61 and name HD1* ) 4.38 2.58 2.58 assign ( resid 61 and name HD1* ) ( resid 117 and name HA ) 4.15 2.36 2.36 assign ( resid 61 and name HD2* ) ( resid 117 and name HA ) 3.87 2.07 2.07 assign ( resid 6 and name HD2* ) ( resid 61 and name HD2* ) 3.93 2.13 2.13 assign ( resid 59 and name HA ) ( resid 62 and name HD1* ) 3.18 1.39 1.39 assign ( resid 62 and name HD1* ) ( resid 72 and name HA ) 2.95 1.15 1.15 assign ( resid 59 and name HA ) ( resid 62 and name HG2* ) 3.43 1.64 1.64 assign ( resid 62 and name HG2* ) ( resid 72 and name HA ) 3.94 2.14 2.14 assign ( resid 62 and name HD1* ) ( resid 75 and name HB ) 3.47 1.68 1.68 assign ( resid 62 and name HD1* ) ( resid 72 and name HB1 ) 3.13 1.33 1.33 assign ( resid 62 and name HD1* ) ( resid 72 and name HB2 ) 3.13 1.33 1.33 assign ( resid 62 and name HD1* ) ( resid 72 and name HD* ) 4.13 2.33 2.33 assign ( resid 62 and name HG2* ) ( resid 75 and name HB ) 3.90 2.11 2.11 assign ( resid 62 and name HG2* ) ( resid 72 and name HB1 ) 4.10 2.31 2.31 assign ( resid 62 and name HG2* ) ( resid 72 and name HB2 ) 4.10 2.31 2.31 assign ( resid 62 and name HG2* ) ( resid 75 and name HD1* ) 4.00 2.20 2.20 assign ( resid 62 and name HD1* ) ( resid 75 and name HD1* ) 3.75 1.95 1.95 assign ( resid 62 and name HD1* ) ( resid 70 and name HG2* ) 4.45 2.65 2.65 assign ( resid 62 and name HG2* ) ( resid 70 and name HG2* ) 3.93 2.13 2.13 assign ( resid 61 and name HN ) ( resid 62 and name HG2* ) 4.41 2.61 2.61 assign ( resid 6 and name HD2* ) ( resid 117 and name HG2* ) 4.23 2.44 2.44 assign ( resid 6 and name HD2* ) ( resid 61 and name HB1 ) 4.41 2.61 2.61 assign ( resid 6 and name HD2* ) ( resid 61 and name HB2 ) 4.41 2.61 2.61 assign ( resid 6 and name HD2* ) ( resid 58 and name HA ) 3.42 1.62 1.62 assign ( resid 6 and name HD2* ) ( resid 57 and name HA1 ) 4.41 2.61 2.61 assign ( resid 6 and name HA ) ( resid 6 and name HD2* ) 4.14 2.34 2.34 assign ( resid 6 and name HD2* ) ( resid 10 and name HN ) 4.41 2.61 2.61 assign ( resid 6 and name HD2* ) ( resid 7 and name HN ) 4.32 2.52 2.52 assign ( resid 61 and name HA ) ( resid 64 and name HG2* ) 3.31 1.51 1.51 assign ( resid 63 and name HN ) ( resid 64 and name HG2* ) 3.94 2.14 2.14 assign ( resid 63 and name HN ) ( resid 64 and name HG1* ) 4.41 2.61 2.61 assign ( resid 64 and name HG1* ) ( resid 65 and name HG* ) 4.09 2.30 2.30 assign ( resid 64 and name HG1* ) ( resid 65 and name HD* ) 4.85 3.05 3.05 assign ( resid 61 and name HD1* ) ( resid 65 and name HD* ) 4.85 3.05 3.05 assign ( resid 61 and name HD2* ) ( resid 65 and name HD* ) 4.85 3.05 3.05 assign ( resid 69 and name HE* ) ( resid 112 and name HB* ) 5.40 3.61 3.61 assign ( resid 70 and name HG1* ) ( resid 113 and name HG2* ) 3.57 1.77 1.77 assign ( resid 70 and name HG1* ) ( resid 112 and name HB* ) 3.80 2.01 2.01 assign ( resid 70 and name HG2* ) ( resid 113 and name HG2* ) 3.69 1.90 1.90 assign ( resid 70 and name HG2* ) ( resid 112 and name HB* ) 3.91 2.11 2.11 assign ( resid 70 and name HG1* ) ( resid 74 and name HB2 ) 3.53 1.73 1.73 assign ( resid 70 and name HG1* ) ( resid 113 and name HA ) 3.65 1.86 1.86 assign ( resid 70 and name HG1* ) ( resid 75 and name HA ) 4.41 2.61 2.61 assign ( resid 70 and name HG1* ) ( resid 109 and name HA ) 4.41 2.61 2.61 assign ( resid 70 and name HG1* ) ( resid 112 and name HA ) 4.35 2.56 2.56 assign ( resid 70 and name HG2* ) ( resid 74 and name HB2 ) 3.20 1.41 1.41 assign ( resid 70 and name HG2* ) ( resid 113 and name HA ) 3.74 1.95 1.95 assign ( resid 70 and name HG1* ) ( resid 75 and name HN ) 4.32 2.52 2.52 assign ( resid 70 and name HG2* ) ( resid 113 and name HN ) 4.06 2.27 2.27 assign ( resid 54 and name HZ3 ) ( resid 75 and name HG2* ) 3.49 1.69 1.69 assign ( resid 54 and name HH2 ) ( resid 75 and name HG2* ) 3.63 1.84 1.84 assign ( resid 74 and name HN ) ( resid 75 and name HD1* ) 4.41 2.61 2.61 assign ( resid 54 and name HZ3 ) ( resid 75 and name HD1* ) 3.60 1.80 1.80 assign ( resid 54 and name HH2 ) ( resid 75 and name HD1* ) 3.31 1.51 1.51 assign ( resid 59 and name HA ) ( resid 75 and name HG2* ) 3.52 1.73 1.73 assign ( resid 72 and name HA ) ( resid 75 and name HG2* ) 4.01 2.22 2.22 assign ( resid 59 and name HA ) ( resid 75 and name HD1* ) 3.72 1.93 1.93 assign ( resid 72 and name HA ) ( resid 75 and name HD1* ) 3.22 1.42 1.42 assign ( resid 55 and name HA ) ( resid 75 and name HG2* ) 3.25 1.46 1.46 assign ( resid 70 and name HB ) ( resid 75 and name HD1* ) 3.26 1.46 1.46 assign ( resid 59 and name HG ) ( resid 75 and name HG2* ) 2.97 1.17 1.17 assign ( resid 75 and name HA ) ( resid 109 and name HG2* ) 3.70 1.91 1.91 assign ( resid 59 and name HD1* ) ( resid 75 and name HB ) 4.03 2.23 2.23 assign ( resid 75 and name HG2* ) ( resid 109 and name HG2* ) 4.92 3.12 3.12 assign ( resid 75 and name HD1* ) ( resid 109 and name HG2* ) 3.58 1.79 1.79 assign ( resid 70 and name HG2* ) ( resid 75 and name HD1* ) 3.82 2.02 2.02 assign ( resid 70 and name HG1* ) ( resid 75 and name HD1* ) 4.00 2.20 2.20 assign ( resid 58 and name HB* ) ( resid 75 and name HG2* ) 3.73 1.93 1.93 assign ( resid 58 and name HB* ) ( resid 75 and name HD1* ) 3.59 1.79 1.79 assign ( resid 75 and name HG2* ) ( resid 76 and name HA ) 4.41 2.61 2.61 assign ( resid 59 and name HD1* ) ( resid 76 and name HA ) 3.76 1.96 1.96 assign ( resid 59 and name HD1* ) ( resid 76 and name HG2 ) 3.36 1.57 1.57 assign ( resid 59 and name HD1* ) ( resid 76 and name HG1 ) 3.36 1.57 1.57 assign ( resid 77 and name HB* ) ( resid 81 and name HD22 ) 4.30 2.50 2.50 assign ( resid 76 and name HB* ) ( resid 77 and name HB* ) 4.45 2.66 2.66 assign ( resid 78 and name HG1* ) ( resid 110 and name HD2* ) 4.29 2.49 2.49 assign ( resid 78 and name HG2* ) ( resid 110 and name HD1* ) 4.92 3.12 3.12 assign ( resid 78 and name HA ) ( resid 106 and name HG2* ) 3.56 1.77 1.77 assign ( resid 78 and name HA ) ( resid 109 and name HG2* ) 4.23 2.43 2.43 assign ( resid 77 and name HB* ) ( resid 78 and name HA ) 3.90 2.11 2.11 assign ( resid 77 and name HB* ) ( resid 78 and name HB ) 4.24 2.45 2.45 assign ( resid 78 and name HG1* ) ( resid 109 and name HG2* ) 4.36 2.56 2.56 assign ( resid 78 and name HG1* ) ( resid 106 and name HG1* ) 3.69 1.90 1.90 assign ( resid 78 and name HG2* ) ( resid 106 and name HG2* ) 3.80 2.01 2.01 assign ( resid 77 and name HB* ) ( resid 78 and name HG1* ) 4.92 3.12 3.12 assign ( resid 78 and name HG1* ) ( resid 110 and name HG ) 3.49 1.69 1.69 assign ( resid 78 and name HG1* ) ( resid 82 and name HB2 ) 3.40 1.60 1.60 assign ( resid 78 and name HG1* ) ( resid 82 and name HB1 ) 3.49 1.69 1.69 assign ( resid 75 and name HA ) ( resid 78 and name HG1* ) 3.67 1.87 1.87 assign ( resid 75 and name HA ) ( resid 78 and name HG2* ) 3.40 1.60 1.60 assign ( resid 78 and name HG2* ) ( resid 109 and name HB ) 3.31 1.51 1.51 assign ( resid 54 and name HE3 ) ( resid 78 and name HG1* ) 3.92 2.13 2.13 assign ( resid 54 and name HZ3 ) ( resid 78 and name HG1* ) 3.74 1.95 1.95 assign ( resid 78 and name HG1* ) ( resid 81 and name HD22 ) 4.41 2.61 2.61 assign ( resid 54 and name HH2 ) ( resid 78 and name HG1* ) 3.87 2.07 2.07 assign ( resid 54 and name HZ3 ) ( resid 78 and name HG2* ) 3.29 1.50 1.50 assign ( resid 54 and name HH2 ) ( resid 78 and name HG2* ) 3.16 1.37 1.37 assign ( resid 78 and name HG1* ) ( resid 82 and name HN ) 3.80 2.00 2.00 assign ( resid 78 and name HG1* ) ( resid 79 and name HA ) 3.78 1.98 1.98 assign ( resid 78 and name HG1* ) ( resid 82 and name HD* ) 5.47 3.68 3.68 assign ( resid 48 and name HN ) ( resid 83 and name HD1* ) 3.67 1.87 1.87 assign ( resid 48 and name HN ) ( resid 83 and name HD2* ) 3.54 1.75 1.75 assign ( resid 82 and name HN ) ( resid 83 and name HD2* ) 4.41 2.61 2.61 assign ( resid 82 and name HE* ) ( resid 83 and name HD2* ) 4.56 2.76 2.76 assign ( resid 82 and name HD* ) ( resid 83 and name HD2* ) 4.52 2.72 2.72 assign ( resid 82 and name HE* ) ( resid 83 and name HD1* ) 5.47 3.68 3.68 assign ( resid 82 and name HD* ) ( resid 83 and name HD1* ) 5.47 3.68 3.68 assign ( resid 48 and name HA ) ( resid 83 and name HD2* ) 2.75 0.96 0.96 assign ( resid 48 and name HA ) ( resid 83 and name HD1* ) 2.80 1.01 1.01 assign ( resid 79 and name HE* ) ( resid 83 and name HD1* ) 4.00 2.21 2.21 assign ( resid 44 and name HA ) ( resid 83 and name HD1* ) 4.41 2.61 2.61 assign ( resid 51 and name HB* ) ( resid 83 and name HD2* ) 4.25 2.46 2.46 assign ( resid 85 and name HD1* ) ( resid 103 and name HG2* ) 4.52 2.73 2.73 assign ( resid 21 and name HN ) ( resid 85 and name HD1* ) 3.90 2.11 2.11 assign ( resid 21 and name HN ) ( resid 85 and name HD2* ) 3.60 1.80 1.80 assign ( resid 20 and name HN ) ( resid 85 and name HD2* ) 3.88 2.09 2.09 assign ( resid 85 and name HD1* ) ( resid 103 and name HN ) 4.41 2.61 2.61 assign ( resid 85 and name HD2* ) ( resid 99 and name HE* ) 5.44 3.64 3.64 assign ( resid 85 and name HD2* ) ( resid 99 and name HZ ) 3.81 2.02 2.02 assign ( resid 85 and name HD1* ) ( resid 103 and name HA ) 3.13 1.33 1.33 assign ( resid 85 and name HD2* ) ( resid 103 and name HA ) 3.43 1.64 1.64 assign ( resid 17 and name HA ) ( resid 85 and name HD2* ) 2.86 1.06 1.06 assign ( resid 82 and name HA ) ( resid 85 and name HD1* ) 3.44 1.64 1.64 assign ( resid 85 and name HD1* ) ( resid 106 and name HB ) 4.03 2.23 2.23 assign ( resid 85 and name HD2* ) ( resid 86 and name HA ) 4.26 2.47 2.47 assign ( resid 85 and name HD2* ) ( resid 102 and name HD1* ) 4.92 3.12 3.12 assign ( resid 85 and name HD2* ) ( resid 86 and name HG2* ) 4.65 2.85 2.85 assign ( resid 47 and name HN ) ( resid 86 and name HG1* ) 4.21 2.41 2.41 assign ( resid 47 and name HD21 ) ( resid 86 and name HG1* ) 3.69 1.89 1.89 assign ( resid 47 and name HD22 ) ( resid 86 and name HG1* ) 3.69 1.89 1.89 assign ( resid 86 and name HG1* ) ( resid 90 and name HD* ) 5.47 3.68 3.68 assign ( resid 86 and name HG1* ) ( resid 90 and name HE* ) 4.61 2.81 2.81 assign ( resid 82 and name HZ ) ( resid 86 and name HG2* ) 4.41 2.61 2.61 assign ( resid 83 and name HA ) ( resid 86 and name HG1* ) 3.90 2.11 2.11 assign ( resid 86 and name HG1* ) ( resid 89 and name HB* ) 4.85 3.05 3.05 assign ( resid 44 and name HA ) ( resid 86 and name HG1* ) 3.56 1.77 1.77 assign ( resid 83 and name HA ) ( resid 86 and name HG2* ) 3.99 2.20 2.20 assign ( resid 47 and name HB2 ) ( resid 86 and name HG2* ) 3.44 1.64 1.64 assign ( resid 47 and name HB2 ) ( resid 86 and name HG1* ) 3.49 1.69 1.69 assign ( resid 44 and name HB ) ( resid 86 and name HG1* ) 4.41 2.61 2.61 assign ( resid 16 and name HB ) ( resid 86 and name HG2* ) 4.41 2.61 2.61 assign ( resid 84 and name HN ) ( resid 87 and name HD2* ) 4.41 2.61 2.61 assign ( resid 84 and name HA ) ( resid 87 and name HD2* ) 4.39 2.59 2.59 assign ( resid 91 and name HG2* ) ( resid 93 and name HN ) 3.34 1.55 1.55 assign ( resid 91 and name HG1* ) ( resid 93 and name HN ) 3.81 2.02 2.02 assign ( resid 90 and name HN ) ( resid 91 and name HG1* ) 4.41 2.61 2.61 assign ( resid 91 and name HG1* ) ( resid 92 and name HD2 ) 4.41 2.61 2.61 assign ( resid 36 and name HE* ) ( resid 91 and name HG2* ) 5.47 3.68 3.68 assign ( resid 91 and name HG2* ) ( resid 92 and name HD2 ) 4.41 2.61 2.61 assign ( resid 88 and name HA ) ( resid 91 and name HG2* ) 2.91 1.12 1.12 assign ( resid 87 and name HG ) ( resid 91 and name HG2* ) 3.49 1.69 1.69 assign ( resid 87 and name HB2 ) ( resid 91 and name HG2* ) 4.23 2.43 2.43 assign ( resid 91 and name HG1* ) ( resid 93 and name HB* ) 4.70 2.91 2.91 assign ( resid 90 and name HB2 ) ( resid 91 and name HG1* ) 4.07 2.27 2.27 assign ( resid 91 and name HG2* ) ( resid 92 and name HA ) 3.76 1.96 1.96 assign ( resid 91 and name HG2* ) ( resid 93 and name HB* ) 4.67 2.87 2.87 assign ( resid 94 and name HD1* ) ( resid 99 and name HN ) 4.41 2.61 2.61 assign ( resid 94 and name HD1* ) ( resid 99 and name HE* ) 5.47 3.68 3.68 assign ( resid 94 and name HD1* ) ( resid 99 and name HD* ) 4.54 2.74 2.74 assign ( resid 94 and name HG2* ) ( resid 95 and name HN ) 3.81 2.02 2.02 assign ( resid 93 and name HD2 ) ( resid 94 and name HG2* ) 4.28 2.49 2.49 assign ( resid 94 and name HG2* ) ( resid 99 and name HD* ) 5.40 3.60 3.60 assign ( resid 94 and name HD1* ) ( resid 99 and name HA ) 3.35 1.55 1.55 assign ( resid 88 and name HB2 ) ( resid 94 and name HD1* ) 3.26 1.46 1.46 assign ( resid 88 and name HB1 ) ( resid 94 and name HD1* ) 3.58 1.78 1.78 assign ( resid 88 and name HB1 ) ( resid 94 and name HG2* ) 3.65 1.86 1.86 assign ( resid 88 and name HG* ) ( resid 94 and name HG2* ) 4.70 2.91 2.91 assign ( resid 88 and name HB2 ) ( resid 94 and name HG2* ) 3.63 1.84 1.84 assign ( resid 93 and name HB* ) ( resid 94 and name HG2* ) 4.69 2.89 2.89 assign ( resid 94 and name HD1* ) ( resid 102 and name HD1* ) 4.14 2.35 2.35 assign ( resid 85 and name HN ) ( resid 102 and name HD1* ) 3.92 2.13 2.13 assign ( resid 85 and name HN ) ( resid 102 and name HG2* ) 3.70 1.91 1.91 assign ( resid 85 and name HA ) ( resid 102 and name HG2* ) 4.19 2.40 2.40 assign ( resid 102 and name HG2* ) ( resid 105 and name HB* ) 4.72 2.93 2.93 assign ( resid 99 and name HA ) ( resid 102 and name HG2* ) 3.92 2.13 2.13 assign ( resid 85 and name HA ) ( resid 102 and name HD1* ) 4.25 2.45 2.45 assign ( resid 99 and name HA ) ( resid 102 and name HD1* ) 3.96 2.16 2.16 assign ( resid 102 and name HG2* ) ( resid 103 and name HB ) 4.24 2.45 2.45 assign ( resid 81 and name HA ) ( resid 102 and name HG2* ) 4.01 2.22 2.22 assign ( resid 84 and name HG* ) ( resid 102 and name HD1* ) 4.76 2.96 2.96 assign ( resid 84 and name HB* ) ( resid 102 and name HD1* ) 3.75 1.95 1.95 assign ( resid 99 and name HB2 ) ( resid 102 and name HD1* ) 4.23 2.43 2.43 assign ( resid 94 and name HB ) ( resid 102 and name HD1* ) 4.41 2.61 2.61 assign ( resid 85 and name HB1 ) ( resid 102 and name HG2* ) 3.88 2.09 2.09 assign ( resid 84 and name HB* ) ( resid 102 and name HG2* ) 4.63 2.84 2.84 assign ( resid 81 and name HB1 ) ( resid 102 and name HG2* ) 3.65 1.86 1.86 assign ( resid 81 and name HB2 ) ( resid 102 and name HG2* ) 3.65 1.86 1.86 assign ( resid 94 and name HD1* ) ( resid 102 and name HB ) 4.41 2.61 2.61 assign ( resid 21 and name HB* ) ( resid 103 and name HG2* ) 3.94 2.15 2.15 assign ( resid 21 and name HN ) ( resid 103 and name HG2* ) 4.19 2.40 2.40 assign ( resid 106 and name HG2* ) ( resid 110 and name HN ) 4.41 2.61 2.61 assign ( resid 106 and name HG1* ) ( resid 110 and name HN ) 4.07 2.27 2.27 assign ( resid 105 and name HN ) ( resid 106 and name HG2* ) 4.41 2.61 2.61 assign ( resid 81 and name HN ) ( resid 106 and name HG2* ) 4.15 2.36 2.36 assign ( resid 82 and name HD* ) ( resid 106 and name HG2* ) 5.47 3.68 3.68 assign ( resid 82 and name HA ) ( resid 106 and name HG2* ) 3.02 1.23 1.23 assign ( resid 82 and name HA ) ( resid 106 and name HG1* ) 3.29 1.50 1.50 assign ( resid 103 and name HA ) ( resid 106 and name HG2* ) 3.78 1.98 1.98 assign ( resid 103 and name HA ) ( resid 106 and name HG1* ) 3.94 2.14 2.14 assign ( resid 81 and name HB1 ) ( resid 106 and name HG2* ) 3.29 1.50 1.50 assign ( resid 81 and name HB2 ) ( resid 106 and name HG2* ) 3.29 1.50 1.50 assign ( resid 82 and name HB2 ) ( resid 106 and name HG2* ) 3.60 1.80 1.80 assign ( resid 82 and name HB2 ) ( resid 106 and name HG1* ) 3.49 1.69 1.69 assign ( resid 78 and name HG2* ) ( resid 106 and name HA ) 3.42 1.62 1.62 assign ( resid 85 and name HB2 ) ( resid 106 and name HG2* ) 3.49 1.69 1.69 assign ( resid 85 and name HD1* ) ( resid 106 and name HG2* ) 4.16 2.37 2.37 assign ( resid 78 and name HG1* ) ( resid 106 and name HG2* ) 4.16 2.37 2.37 assign ( resid 85 and name HD1* ) ( resid 106 and name HG1* ) 4.14 2.35 2.35 assign ( resid 106 and name HG1* ) ( resid 110 and name HD1* ) 3.73 1.93 1.93 assign ( resid 104 and name HA ) ( resid 107 and name HD2* ) 3.94 2.14 2.14 assign ( resid 104 and name HA ) ( resid 107 and name HD1* ) 3.88 2.09 2.09 assign ( resid 14 and name HA ) ( resid 107 and name HD2* ) 3.33 1.53 1.53 assign ( resid 18 and name HG2 ) ( resid 107 and name HD2* ) 3.56 1.77 1.77 assign ( resid 18 and name HG2 ) ( resid 107 and name HD1* ) 3.87 2.07 2.07 assign ( resid 18 and name HG1 ) ( resid 107 and name HD1* ) 3.87 2.07 2.07 assign ( resid 14 and name HA ) ( resid 107 and name HD1* ) 4.41 2.61 2.61 assign ( resid 107 and name HD1* ) ( resid 110 and name HD1* ) 4.92 3.12 3.12 assign ( resid 14 and name HD1* ) ( resid 107 and name HD1* ) 4.92 3.12 3.12 assign ( resid 107 and name HD2* ) ( resid 110 and name HD1* ) 4.11 2.31 2.31 assign ( resid 14 and name HD1* ) ( resid 107 and name HD2* ) 4.88 3.09 3.09 assign ( resid 110 and name HD2* ) ( resid 113 and name HN ) 4.41 2.61 2.61 assign ( resid 14 and name HN ) ( resid 110 and name HD2* ) 4.32 2.52 2.52 assign ( resid 54 and name HZ2 ) ( resid 110 and name HD2* ) 3.47 1.68 1.68 assign ( resid 54 and name HH2 ) ( resid 110 and name HD2* ) 4.05 2.25 2.25 assign ( resid 10 and name HA ) ( resid 110 and name HD2* ) 4.05 2.25 2.25 assign ( resid 13 and name HA ) ( resid 110 and name HD1* ) 4.23 2.43 2.43 assign ( resid 10 and name HG2* ) ( resid 110 and name HD1* ) 4.34 2.55 2.55 assign ( resid 78 and name HG2* ) ( resid 110 and name HD2* ) 4.68 2.89 2.89 assign ( resid 10 and name HG2* ) ( resid 110 and name HD2* ) 3.75 1.95 1.95 assign ( resid 78 and name HG1* ) ( resid 110 and name HD1* ) 4.92 3.12 3.12 assign ( resid 14 and name HD1* ) ( resid 111 and name HA ) 3.81 2.02 2.02 assign ( resid 70 and name HN ) ( resid 112 and name HB* ) 4.41 2.61 2.61 assign ( resid 69 and name HB1 ) ( resid 112 and name HB* ) 4.01 2.22 2.22 assign ( resid 69 and name HB2 ) ( resid 112 and name HB* ) 4.19 2.40 2.40 assign ( resid 112 and name HB* ) ( resid 113 and name HB ) 4.41 2.61 2.61 assign ( resid 70 and name HB ) ( resid 112 and name HB* ) 3.24 1.44 1.44 assign ( resid 112 and name HB* ) ( resid 113 and name HG2* ) 4.12 2.33 2.33 assign ( resid 54 and name HE1 ) ( resid 113 and name HG1* ) 3.36 1.57 1.57 assign ( resid 54 and name HZ2 ) ( resid 113 and name HG1* ) 2.99 1.19 1.19 assign ( resid 54 and name HH2 ) ( resid 113 and name HG1* ) 4.05 2.25 2.25 assign ( resid 54 and name HZ2 ) ( resid 113 and name HG2* ) 2.88 1.08 1.08 assign ( resid 54 and name HH2 ) ( resid 113 and name HG2* ) 3.33 1.53 1.53 assign ( resid 110 and name HA ) ( resid 113 and name HG2* ) 3.47 1.68 1.68 assign ( resid 110 and name HA ) ( resid 113 and name HG1* ) 3.98 2.18 2.18 assign ( resid 113 and name HG1* ) ( resid 114 and name HA ) 3.76 1.96 1.96 assign ( resid 75 and name HA ) ( resid 113 and name HG2* ) 3.97 2.18 2.18 assign ( resid 10 and name HG1 ) ( resid 113 and name HG1* ) 4.41 2.61 2.61 assign ( resid 70 and name HB ) ( resid 113 and name HG2* ) 3.58 1.78 1.78 assign ( resid 113 and name HG1* ) ( resid 114 and name HB1 ) 4.14 2.34 2.34 assign ( resid 75 and name HD1* ) ( resid 113 and name HG2* ) 3.80 2.01 2.01 assign ( resid 58 and name HB* ) ( resid 113 and name HG2* ) 4.18 2.38 2.38 assign ( resid 110 and name HD2* ) ( resid 113 and name HG2* ) 4.92 3.12 3.12 assign ( resid 113 and name HG1* ) ( resid 117 and name HD1* ) 3.51 1.72 1.72 assign ( resid 6 and name HD2* ) ( resid 113 and name HG1* ) 4.34 2.55 2.55 assign ( resid 110 and name HD2* ) ( resid 113 and name HG1* ) 4.92 3.12 3.12 assign ( resid 110 and name HD2* ) ( resid 113 and name HB ) 4.41 2.61 2.61 assign ( resid 10 and name HG2* ) ( resid 114 and name HA ) 4.21 2.41 2.41 assign ( resid 7 and name HD1* ) ( resid 114 and name HE* ) 3.75 1.95 1.95 assign ( resid 14 and name HD1* ) ( resid 114 and name HE* ) 4.00 2.21 2.21 assign ( resid 7 and name HD1* ) ( resid 114 and name HG1 ) 3.54 1.75 1.75 assign ( resid 14 and name HD1* ) ( resid 114 and name HG1 ) 3.89 2.09 2.09 assign ( resid 10 and name HG2* ) ( resid 114 and name HD* ) 4.29 2.50 2.50 assign ( resid 10 and name HG2* ) ( resid 114 and name HG2 ) 3.78 1.98 1.98 assign ( resid 7 and name HD1* ) ( resid 114 and name HG2 ) 3.54 1.75 1.75 assign ( resid 7 and name HD1* ) ( resid 114 and name HB2 ) 3.65 1.86 1.86 assign ( resid 14 and name HD1* ) ( resid 114 and name HD* ) 4.63 2.84 2.84 assign ( resid 10 and name HN ) ( resid 117 and name HG2* ) 4.41 2.61 2.61 assign ( resid 10 and name HN ) ( resid 117 and name HD1* ) 4.17 2.38 2.38 assign ( resid 114 and name HA ) ( resid 117 and name HG2* ) 3.38 1.59 1.59 assign ( resid 7 and name HA ) ( resid 117 and name HG2* ) 3.79 2.00 2.00 assign ( resid 114 and name HA ) ( resid 117 and name HD1* ) 3.20 1.41 1.41 assign ( resid 7 and name HA ) ( resid 117 and name HD1* ) 3.17 1.37 1.37 assign ( resid 10 and name HB ) ( resid 117 and name HD1* ) 4.26 2.47 2.47 assign ( resid 10 and name HG1 ) ( resid 117 and name HD1* ) 4.32 2.52 2.52 assign ( resid 117 and name HG2* ) ( resid 118 and name HB* ) 4.21 2.42 2.42 assign ( resid 114 and name HB2 ) ( resid 117 and name HD1* ) 3.56 1.77 1.77 assign ( resid 6 and name HG ) ( resid 117 and name HD1* ) 3.04 1.24 1.24 assign ( resid 6 and name HG ) ( resid 117 and name HG2* ) 3.29 1.50 1.50 assign ( resid 117 and name HN ) ( resid 118 and name HB* ) 4.41 2.61 2.61 assign ( resid 117 and name HG2* ) ( resid 118 and name HA ) 3.38 1.59 1.59 assign ( resid 7 and name HD1* ) ( resid 118 and name HB* ) 4.57 2.78 2.78 assign ( resid 62 and name HD1* ) ( resid 71 and name HA ) 3.71 1.91 1.91 assign ( resid 16 and name HG2* ) ( resid 47 and name HD22 ) 3.56 1.77 1.77 assign ( resid 6 and name HD1* ) ( resid 58 and name HB* ) 4.48 2.69 2.69 assign ( resid 6 and name HD1* ) ( resid 57 and name HA2 ) 3.52 1.73 1.73 assign ( resid 6 and name HD1* ) ( resid 58 and name HA ) 3.81 2.02 2.02 assign ( resid 6 and name HD1* ) ( resid 57 and name HA1 ) 3.09 1.30 1.30 assign ( resid 6 and name HA ) ( resid 6 and name HD1* ) 3.11 1.32 1.32 assign ( resid 6 and name HD1* ) ( resid 10 and name HG1 ) 4.41 2.61 2.61 assign ( resid 6 and name HD1* ) ( resid 10 and name HN ) 4.30 2.50 2.50 assign ( resid 6 and name HD1* ) ( resid 7 and name HN ) 4.41 2.61 2.61 assign ( resid 13 and name HE* ) ( resid 51 and name HN ) 4.41 2.61 2.61 assign ( resid 16 and name HG2* ) ( resid 82 and name HE* ) 5.47 3.68 3.68 assign ( resid 21 and name HB* ) ( resid 22 and name HB* ) 4.85 3.05 3.05 assign ( resid 40 and name HD1* ) ( resid 90 and name HN ) 4.41 2.61 2.61 assign ( resid 40 and name HG2* ) ( resid 87 and name HD1* ) 4.07 2.28 2.28 assign ( resid 40 and name HD1* ) ( resid 87 and name HD1* ) 4.40 2.60 2.60 assign ( resid 40 and name HG2* ) ( resid 44 and name HG2* ) 4.11 2.31 2.31 assign ( resid 58 and name HA ) ( resid 61 and name HD2* ) 4.10 2.31 2.31 assign ( resid 17 and name HB* ) ( resid 107 and name HG ) 3.65 1.86 1.86 assign ( resid 17 and name HB* ) ( resid 106 and name HG1* ) 4.39 2.60 2.60 assign ( resid 40 and name HG2* ) ( resid 44 and name HG1* ) 4.90 3.10 3.10 assign ( resid 54 and name HZ2 ) ( resid 109 and name HG2* ) 3.87 2.07 2.07 assign ( resid 10 and name HG2* ) ( resid 54 and name HH2 ) 4.33 2.54 2.54 assign ( resid 10 and name HG2* ) ( resid 54 and name HZ2 ) 4.26 2.47 2.47 assign ( resid 54 and name HH2 ) ( resid 109 and name HG2* ) 3.69 1.89 1.89 assign ( resid 58 and name HB* ) ( resid 70 and name HG1* ) 4.92 3.12 3.12 assign ( resid 62 and name HG2* ) ( resid 71 and name HA ) 4.41 2.61 2.61 assign ( resid 59 and name HB2 ) ( resid 62 and name HD1* ) 3.99 2.20 2.20 assign ( resid 62 and name HG2* ) ( resid 113 and name HG1* ) 4.74 2.94 2.94 assign ( resid 6 and name HD2* ) ( resid 58 and name HN ) 4.41 2.61 2.61 assign ( resid 6 and name HD1* ) ( resid 58 and name HN ) 3.72 1.93 1.93 assign ( resid 108 and name HD* ) ( resid 112 and name HB* ) 5.47 3.68 3.68 assign ( resid 70 and name HG2* ) ( resid 109 and name HG2* ) 3.87 2.08 2.08 assign ( resid 70 and name HG1* ) ( resid 109 and name HG2* ) 4.27 2.47 2.47 assign ( resid 75 and name HG2* ) ( resid 113 and name HG2* ) 4.92 3.12 3.12 assign ( resid 55 and name HN ) ( resid 75 and name HG2* ) 4.39 2.59 2.59 assign ( resid 40 and name HD1* ) ( resid 87 and name HA ) 4.41 2.61 2.61 assign ( resid 77 and name HB* ) ( resid 80 and name HN ) 4.17 2.38 2.38 assign ( resid 82 and name HA ) ( resid 85 and name HD2* ) 3.90 2.11 2.11 assign ( resid 85 and name HD2* ) ( resid 103 and name HB ) 4.41 2.61 2.61 assign ( resid 17 and name HA ) ( resid 85 and name HD1* ) 3.35 1.55 1.55 assign ( resid 85 and name HD1* ) ( resid 103 and name HB ) 4.41 2.61 2.61 assign ( resid 93 and name HB* ) ( resid 94 and name HD1* ) 4.85 3.05 3.05 assign ( resid 94 and name HG2* ) ( resid 99 and name HB2 ) 3.61 1.82 1.82 assign ( resid 94 and name HD1* ) ( resid 99 and name HB2 ) 3.36 1.57 1.57 assign ( resid 85 and name HD2* ) ( resid 102 and name HG2* ) 4.47 2.67 2.67 assign ( resid 102 and name HG2* ) ( resid 106 and name HG2* ) 4.47 2.67 2.67 assign ( resid 102 and name HG2* ) ( resid 106 and name HG1* ) 4.92 3.12 3.12 assign ( resid 75 and name HD1* ) ( resid 113 and name HG1* ) 4.50 2.71 2.71 assign ( resid 6 and name HD2* ) ( resid 113 and name HG2* ) 4.92 3.12 3.12 assign ( resid 78 and name HG2* ) ( resid 109 and name HG2* ) 3.49 1.70 1.70 assign ( resid 56 and name HA ) ( resid 59 and name HD2* ) 3.90 2.11 2.11 assign ( resid 13 and name HE* ) ( resid 50 and name HB1 ) 3.69 1.89 1.89 assign ( resid 13 and name HE* ) ( resid 50 and name HG ) 3.58 1.78 1.78 assign ( resid 13 and name HE* ) ( resid 51 and name HB* ) 3.87 2.08 2.08 assign ( resid 13 and name HE* ) ( resid 50 and name HD2* ) 4.50 2.71 2.71 assign ( resid 54 and name HZ2 ) ( resid 75 and name HD1* ) 4.41 2.61 2.61 assign ( resid 7 and name HG ) ( resid 117 and name HD1* ) 4.41 2.61 2.61 assign ( resid 106 and name HG1* ) ( resid 110 and name HG ) 3.08 1.28 1.28 assign ( resid 106 and name HG1* ) ( resid 110 and name HD2* ) 4.72 2.92 2.92 assign ( resid 6 and name HD2* ) ( resid 58 and name HB* ) 4.92 3.12 3.12 assign ( resid 6 and name HD2* ) ( resid 9 and name HE* ) 4.92 3.12 3.12 assign ( resid 7 and name HD1* ) ( resid 114 and name HD* ) 3.73 1.94 1.94 assign ( resid 7 and name HD2* ) ( resid 114 and name HD* ) 4.85 3.05 3.05 assign ( resid 46 and name HG* ) ( resid 50 and name HD2* ) 4.85 3.05 3.05 assign ( resid 82 and name HD* ) ( resid 106 and name HG1* ) 4.25 2.45 2.45 assign ( resid 13 and name HA ) ( resid 50 and name HD1* ) 4.41 2.61 2.61 assign ( resid 13 and name HA ) ( resid 50 and name HD2* ) 4.15 2.36 2.36 assign ( resid 59 and name HN ) ( resid 75 and name HG2* ) 3.61 1.82 1.82 assign ( resid 59 and name HN ) ( resid 75 and name HD1* ) 4.41 2.61 2.61 assign ( resid 7 and name HD1* ) ( resid 114 and name HB1 ) 3.43 1.64 1.64 assign ( resid 36 and name HA ) ( resid 40 and name HG2* ) 4.35 2.56 2.56 assign ( resid 36 and name HA ) ( resid 40 and name HD1* ) 3.60 1.80 1.80 assign ( resid 40 and name HG2* ) ( resid 41 and name HA ) 4.41 2.61 2.61 assign ( resid 34 and name HA ) ( resid 40 and name HD1* ) 4.41 2.61 2.61 assign ( resid 40 and name HG2* ) ( resid 90 and name HD* ) 5.22 3.42 3.42 assign ( resid 40 and name HD1* ) ( resid 91 and name HG1* ) 4.32 2.53 2.53 assign ( resid 40 and name HD1* ) ( resid 90 and name HD* ) 5.27 3.48 3.48 assign ( resid 21 and name HB* ) ( resid 24 and name HD* ) 5.47 3.68 3.68 assign ( resid 36 and name HD* ) ( resid 91 and name HG1* ) 5.47 3.68 3.68 assign ( resid 36 and name HE* ) ( resid 91 and name HG1* ) 5.38 3.59 3.59 assign ( resid 36 and name HE* ) ( resid 40 and name HD1* ) 5.47 3.68 3.68 assign ( resid 36 and name HZ ) ( resid 91 and name HG1* ) 4.41 2.61 2.61 assign ( resid 9 and name HE* ) ( resid 54 and name HD1 ) 3.79 2.00 2.00 assign ( resid 54 and name HD1 ) ( resid 113 and name HG1* ) 4.41 2.61 2.61 assign ( resid 6 and name HD1* ) ( resid 54 and name HD1 ) 3.61 1.82 1.82 assign ( resid 54 and name HZ2 ) ( resid 75 and name HG2* ) 4.41 2.61 2.61 assign ( resid 54 and name HZ2 ) ( resid 78 and name HG1* ) 4.41 2.61 2.61 assign ( resid 54 and name HH2 ) ( resid 58 and name HB* ) 4.41 2.61 2.61 assign ( resid 54 and name HZ2 ) ( resid 58 and name HB* ) 4.41 2.61 2.61 assign ( resid 54 and name HE3 ) ( resid 75 and name HG2* ) 4.41 2.61 2.61 assign ( resid 13 and name HE* ) ( resid 54 and name HE3 ) 4.41 2.61 2.61 assign ( resid 69 and name HD* ) ( resid 112 and name HB* ) 5.02 3.23 3.23 assign ( resid 69 and name HD* ) ( resid 70 and name HG2* ) 5.47 3.68 3.68 assign ( resid 82 and name HD* ) ( resid 85 and name HD2* ) 5.47 3.68 3.68 assign ( resid 34 and name HD* ) ( resid 40 and name HD1* ) 5.47 3.68 3.68 assign ( resid 34 and name HE* ) ( resid 39 and name HG2* ) 5.47 3.68 3.68 assign ( resid 87 and name HD2* ) ( resid 93 and name HD2 ) 4.41 2.61 2.61 assign ( resid 93 and name HD2 ) ( resid 94 and name HD1* ) 4.41 2.61 2.61 assign ( resid 108 and name HE* ) ( resid 112 and name HB* ) 5.47 3.68 3.68 assign ( resid 107 and name HD2* ) ( resid 111 and name HD2 ) 4.16 2.36 2.36 assign ( resid 107 and name HD1* ) ( resid 111 and name HD2 ) 4.32 2.52 2.52 assign ( resid 14 and name HD1* ) ( resid 111 and name HD2 ) 4.41 2.61 2.61 assign ( resid 82 and name HE* ) ( resid 106 and name HG1* ) 5.47 3.68 3.68 assign ( resid 82 and name HE* ) ( resid 85 and name HD2* ) 5.47 3.68 3.68 assign ( resid 91 and name HG2* ) ( resid 93 and name HD2 ) 4.08 2.29 2.29 assign ( resid 85 and name HD1* ) ( resid 99 and name HZ ) 4.41 2.61 2.61 assign ( resid 85 and name HD1* ) ( resid 99 and name HE* ) 5.47 3.68 3.68 assign ( resid 6 and name HB* ) ( resid 117 and name HB ) 4.34 2.54 2.54 assign ( resid 6 and name HB* ) ( resid 117 and name HG1* ) 4.78 2.98 2.98 assign ( resid 6 and name HD2* ) ( resid 117 and name HG1* ) 4.18 2.39 2.39 assign ( resid 7 and name HB* ) ( resid 117 and name HG2* ) 3.46 1.67 1.67 assign ( resid 7 and name HB* ) ( resid 117 and name HD1* ) 4.02 2.22 2.22 assign ( resid 7 and name HD1* ) ( resid 11 and name HG* ) 3.27 1.47 1.47 assign ( resid 7 and name HD1* ) ( resid 114 and name HG* ) 3.34 1.54 1.54 assign ( resid 7 and name HD2* ) ( resid 11 and name HG* ) 4.12 2.32 2.32 assign ( resid 8 and name HN ) ( resid 8 and name HB* ) 2.49 0.70 0.70 assign ( resid 8 and name HN ) ( resid 8 and name HG* ) 2.93 1.13 1.13 assign ( resid 8 and name HG* ) ( resid 9 and name HN ) 3.54 1.74 1.74 assign ( resid 9 and name HN ) ( resid 9 and name HG* ) 3.29 1.50 1.50 assign ( resid 9 and name HA ) ( resid 12 and name HB* ) 3.02 1.22 1.22 assign ( resid 9 and name HG* ) ( resid 10 and name HN ) 4.34 2.54 2.54 assign ( resid 9 and name HG* ) ( resid 50 and name HD1* ) 3.54 1.75 1.75 assign ( resid 10 and name HA ) ( resid 13 and name HB* ) 2.80 1.01 1.01 assign ( resid 10 and name HG2* ) ( resid 13 and name HB* ) 3.64 1.85 1.85 assign ( resid 10 and name HG2* ) ( resid 114 and name HG* ) 3.47 1.67 1.67 assign ( resid 11 and name HN ) ( resid 11 and name HB* ) 2.52 0.73 0.73 assign ( resid 11 and name HB* ) ( resid 12 and name HN ) 2.76 0.96 0.96 assign ( resid 11 and name HB* ) ( resid 14 and name HD1* ) 4.38 2.58 2.58 assign ( resid 11 and name HG* ) ( resid 12 and name HN ) 3.79 1.99 1.99 assign ( resid 12 and name HN ) ( resid 12 and name HB* ) 2.40 0.61 0.61 assign ( resid 12 and name HN ) ( resid 12 and name HG* ) 3.19 1.40 1.40 assign ( resid 12 and name HA ) ( resid 12 and name HG* ) 2.59 0.80 0.80 assign ( resid 12 and name HA ) ( resid 15 and name HB* ) 3.32 1.53 1.53 assign ( resid 12 and name HB* ) ( resid 13 and name HN ) 2.66 0.86 0.86 assign ( resid 12 and name HB* ) ( resid 50 and name HD2* ) 3.43 1.64 1.64 assign ( resid 12 and name HG* ) ( resid 13 and name HN ) 3.36 1.56 1.56 assign ( resid 12 and name HG* ) ( resid 16 and name HG2* ) 3.45 1.66 1.66 assign ( resid 12 and name HG* ) ( resid 50 and name HD2* ) 3.11 1.31 1.31 assign ( resid 12 and name HE2* ) ( resid 15 and name HG* ) 4.77 2.98 2.98 assign ( resid 12 and name HE2* ) ( resid 16 and name HA ) 4.33 2.53 2.53 assign ( resid 12 and name HE2* ) ( resid 16 and name HG1* ) 4.49 2.70 2.70 assign ( resid 12 and name HE2* ) ( resid 16 and name HG2* ) 3.72 1.92 1.92 assign ( resid 12 and name HE2* ) ( resid 50 and name HD2* ) 3.36 1.57 1.57 assign ( resid 13 and name HN ) ( resid 13 and name HB* ) 2.55 0.75 0.75 assign ( resid 13 and name HB* ) ( resid 14 and name HN ) 2.80 1.00 1.00 assign ( resid 13 and name HE* ) ( resid 50 and name HB* ) 3.54 1.74 1.74 assign ( resid 14 and name HG2* ) ( resid 18 and name HG* ) 3.37 1.58 1.58 assign ( resid 14 and name HD1* ) ( resid 110 and name HB* ) 3.64 1.85 1.85 assign ( resid 14 and name HD1* ) ( resid 114 and name HG* ) 3.80 2.00 2.00 assign ( resid 15 and name HN ) ( resid 15 and name HB* ) 2.39 0.59 0.59 assign ( resid 15 and name HN ) ( resid 15 and name HG* ) 3.08 1.28 1.28 assign ( resid 15 and name HB* ) ( resid 16 and name HN ) 2.69 0.89 0.89 assign ( resid 15 and name HB* ) ( resid 16 and name HG1* ) 4.74 2.94 2.94 assign ( resid 15 and name HB* ) ( resid 16 and name HG2* ) 3.70 1.90 1.90 assign ( resid 15 and name HB* ) ( resid 17 and name HN ) 3.67 1.88 1.88 assign ( resid 15 and name HG* ) ( resid 16 and name HN ) 3.48 1.68 1.68 assign ( resid 15 and name HG* ) ( resid 19 and name HG* ) 4.24 2.44 2.44 assign ( resid 15 and name HG* ) ( resid 19 and name HD* ) 3.56 1.77 1.77 assign ( resid 15 and name HG* ) ( resid 19 and name HE* ) 3.94 2.15 2.15 assign ( resid 16 and name HG1* ) ( resid 47 and name HD2* ) 4.31 2.51 2.51 assign ( resid 16 and name HG2* ) ( resid 47 and name HD2* ) 3.44 1.64 1.64 assign ( resid 17 and name HB* ) ( resid 18 and name HG* ) 4.58 2.78 2.78 assign ( resid 18 and name HN ) ( resid 18 and name HG* ) 2.70 0.91 0.91 assign ( resid 18 and name HA ) ( resid 18 and name HG* ) 2.54 0.75 0.75 assign ( resid 18 and name HG* ) ( resid 19 and name HN ) 3.72 1.93 1.93 assign ( resid 18 and name HG* ) ( resid 107 and name HD1* ) 3.54 1.75 1.75 assign ( resid 18 and name HG* ) ( resid 107 and name HD2* ) 3.45 1.66 1.66 assign ( resid 19 and name HA ) ( resid 19 and name HG* ) 2.80 1.00 1.00 assign ( resid 21 and name HA ) ( resid 24 and name HB* ) 3.09 1.29 1.29 assign ( resid 22 and name HA ) ( resid 25 and name HB* ) 2.68 0.89 0.89 assign ( resid 22 and name HB* ) ( resid 25 and name HB* ) 4.78 2.98 2.98 assign ( resid 24 and name HN ) ( resid 24 and name HB* ) 2.71 0.92 0.92 assign ( resid 24 and name HB* ) ( resid 25 and name HN ) 3.07 1.27 1.27 assign ( resid 24 and name HB* ) ( resid 99 and name HE* ) 5.40 3.61 3.61 assign ( resid 26 and name HN ) ( resid 26 and name HG* ) 4.34 2.54 2.54 assign ( resid 26 and name HA ) ( resid 26 and name HG* ) 2.74 0.95 0.95 assign ( resid 38 and name HN ) ( resid 38 and name HG* ) 3.07 1.28 1.28 assign ( resid 38 and name HA ) ( resid 38 and name HG* ) 2.57 0.78 0.78 assign ( resid 40 and name HN ) ( resid 40 and name HG1* ) 3.54 1.75 1.75 assign ( resid 40 and name HG1* ) ( resid 41 and name HN ) 4.34 2.54 2.54 assign ( resid 41 and name HN ) ( resid 42 and name HD* ) 3.80 2.01 2.01 assign ( resid 41 and name HB* ) ( resid 42 and name HD* ) 4.25 2.46 2.46 assign ( resid 43 and name HB* ) ( resid 47 and name HD2* ) 3.78 1.99 1.99 assign ( resid 45 and name HN ) ( resid 45 and name HG* ) 2.69 0.89 0.89 assign ( resid 45 and name HA ) ( resid 45 and name HG* ) 2.61 0.81 0.81 assign ( resid 45 and name HA ) ( resid 48 and name HB* ) 2.67 0.87 0.87 assign ( resid 46 and name HA ) ( resid 49 and name HG* ) 3.62 1.82 1.82 assign ( resid 46 and name HG* ) ( resid 47 and name HD2* ) 4.77 2.97 2.97 assign ( resid 47 and name HN ) ( resid 47 and name HD2* ) 3.41 1.62 1.62 assign ( resid 47 and name HA ) ( resid 50 and name HB* ) 3.45 1.66 1.66 assign ( resid 47 and name HD2* ) ( resid 86 and name HG1* ) 3.48 1.68 1.68 assign ( resid 47 and name HD2* ) ( resid 86 and name HG2* ) 3.74 1.94 1.94 assign ( resid 48 and name HN ) ( resid 49 and name HG* ) 4.34 2.54 2.54 assign ( resid 48 and name HB* ) ( resid 49 and name HN ) 2.78 0.99 0.99 assign ( resid 48 and name HB* ) ( resid 83 and name HD1* ) 3.73 1.94 1.94 assign ( resid 49 and name HA ) ( resid 49 and name HG* ) 2.56 0.77 0.77 assign ( resid 49 and name HG* ) ( resid 50 and name HN ) 3.68 1.89 1.89 assign ( resid 49 and name HG* ) ( resid 52 and name HB* ) 3.82 2.03 2.03 assign ( resid 50 and name HN ) ( resid 50 and name HB* ) 2.40 0.61 0.61 assign ( resid 50 and name HA ) ( resid 53 and name HB* ) 2.84 1.05 1.05 assign ( resid 51 and name HA ) ( resid 54 and name HB* ) 3.03 1.23 1.23 assign ( resid 51 and name HB* ) ( resid 54 and name HB* ) 4.11 2.31 2.31 assign ( resid 52 and name HN ) ( resid 54 and name HB* ) 3.85 2.06 2.06 assign ( resid 53 and name HN ) ( resid 53 and name HB* ) 2.38 0.58 0.58 assign ( resid 53 and name HN ) ( resid 53 and name HG* ) 2.89 1.10 1.10 assign ( resid 53 and name HA ) ( resid 56 and name HB* ) 2.79 0.99 0.99 assign ( resid 53 and name HB* ) ( resid 54 and name HN ) 2.77 0.98 0.98 assign ( resid 53 and name HG* ) ( resid 54 and name HN ) 3.65 1.85 1.85 assign ( resid 54 and name HB* ) ( resid 55 and name HN ) 2.86 1.06 1.06 assign ( resid 54 and name HH2 ) ( resid 75 and name HG1* ) 4.09 2.29 2.29 assign ( resid 55 and name HN ) ( resid 56 and name HB* ) 3.83 2.04 2.04 assign ( resid 55 and name HB* ) ( resid 56 and name HB* ) 4.43 2.64 2.64 assign ( resid 55 and name HB* ) ( resid 56 and name HG* ) 4.59 2.80 2.80 assign ( resid 55 and name HB* ) ( resid 79 and name HB* ) 4.65 2.85 2.85 assign ( resid 56 and name HN ) ( resid 56 and name HB* ) 2.40 0.60 0.60 assign ( resid 56 and name HN ) ( resid 56 and name HG* ) 2.80 1.01 1.01 assign ( resid 56 and name HB* ) ( resid 57 and name HN ) 2.74 0.94 0.94 assign ( resid 56 and name HB* ) ( resid 59 and name HD1* ) 4.85 3.05 3.05 assign ( resid 56 and name HG* ) ( resid 59 and name HD1* ) 4.28 2.49 2.49 assign ( resid 57 and name HA2 ) ( resid 60 and name HB* ) 3.31 1.51 1.51 assign ( resid 57 and name HA1 ) ( resid 60 and name HB* ) 3.25 1.46 1.46 assign ( resid 58 and name HN ) ( resid 75 and name HG1* ) 4.34 2.54 2.54 assign ( resid 58 and name HA ) ( resid 61 and name HB* ) 3.00 1.21 1.21 assign ( resid 58 and name HA ) ( resid 117 and name HG1* ) 3.92 2.13 2.13 assign ( resid 58 and name HB* ) ( resid 75 and name HG1* ) 3.91 2.12 2.12 assign ( resid 58 and name HB* ) ( resid 117 and name HG1* ) 4.85 3.05 3.05 assign ( resid 59 and name HN ) ( resid 60 and name HB* ) 3.83 2.04 2.04 assign ( resid 59 and name HD1* ) ( resid 72 and name HB* ) 4.76 2.96 2.96 assign ( resid 59 and name HD1* ) ( resid 76 and name HG* ) 3.25 1.46 1.46 assign ( resid 59 and name HD2* ) ( resid 76 and name HG* ) 4.34 2.55 2.55 assign ( resid 60 and name HN ) ( resid 60 and name HB* ) 2.33 0.54 0.54 assign ( resid 60 and name HA ) ( resid 63 and name HG* ) 3.79 2.00 2.00 assign ( resid 60 and name HB* ) ( resid 61 and name HN ) 2.71 0.92 0.92 assign ( resid 60 and name HG* ) ( resid 63 and name HD* ) 4.49 2.70 2.70 assign ( resid 61 and name HN ) ( resid 61 and name HB* ) 2.74 0.95 0.95 assign ( resid 61 and name HB* ) ( resid 62 and name HN ) 2.73 0.94 0.94 assign ( resid 62 and name HG2* ) ( resid 67 and name HD* ) 4.47 2.68 2.68 assign ( resid 62 and name HG2* ) ( resid 72 and name HB* ) 4.00 2.20 2.20 assign ( resid 63 and name HN ) ( resid 63 and name HD* ) 3.51 1.72 1.72 assign ( resid 63 and name HA ) ( resid 63 and name HD* ) 3.53 1.73 1.73 assign ( resid 63 and name HG* ) ( resid 64 and name HN ) 3.62 1.83 1.83 assign ( resid 63 and name HD* ) ( resid 64 and name HN ) 3.80 2.01 2.01 assign ( resid 63 and name HD* ) ( resid 64 and name HB ) 4.09 2.29 2.29 assign ( resid 63 and name HD* ) ( resid 64 and name HG1* ) 3.82 2.03 2.03 assign ( resid 68 and name HA ) ( resid 68 and name HG* ) 2.79 0.99 0.99 assign ( resid 68 and name HA ) ( resid 68 and name HD* ) 3.57 1.78 1.78 assign ( resid 68 and name HB* ) ( resid 68 and name HD* ) 2.59 0.80 0.80 assign ( resid 68 and name HB* ) ( resid 68 and name HE* ) 3.40 1.61 1.61 assign ( resid 68 and name HB* ) ( resid 70 and name HN ) 4.00 2.20 2.20 assign ( resid 68 and name HG* ) ( resid 70 and name HN ) 4.34 2.54 2.54 assign ( resid 68 and name HD* ) ( resid 116 and name HA ) 4.05 2.25 2.25 assign ( resid 69 and name HD* ) ( resid 116 and name HB* ) 5.40 3.61 3.61 assign ( resid 69 and name HE* ) ( resid 115 and name HB* ) 5.40 3.61 3.61 assign ( resid 69 and name HE* ) ( resid 116 and name HB* ) 5.40 3.61 3.61 assign ( resid 69 and name HE* ) ( resid 119 and name HG* ) 5.40 3.61 3.61 assign ( resid 70 and name HG1* ) ( resid 75 and name HG1* ) 3.71 1.92 1.92 assign ( resid 70 and name HG1* ) ( resid 116 and name HB* ) 3.84 2.04 2.04 assign ( resid 71 and name HN ) ( resid 74 and name HG* ) 4.34 2.54 2.54 assign ( resid 71 and name HD2 ) ( resid 73 and name HB* ) 3.87 2.07 2.07 assign ( resid 71 and name HD2 ) ( resid 74 and name HG* ) 4.23 2.43 2.43 assign ( resid 72 and name HB* ) ( resid 73 and name HN ) 2.96 1.16 1.16 assign ( resid 72 and name HG* ) ( resid 76 and name HG* ) 4.20 2.40 2.40 assign ( resid 73 and name HN ) ( resid 73 and name HB* ) 2.80 1.00 1.00 assign ( resid 73 and name HN ) ( resid 73 and name HG* ) 3.58 1.78 1.78 assign ( resid 73 and name HA ) ( resid 73 and name HG* ) 2.61 0.81 0.81 assign ( resid 73 and name HA ) ( resid 76 and name HG* ) 3.61 1.81 1.81 assign ( resid 73 and name HB* ) ( resid 74 and name HN ) 2.79 1.00 1.00 assign ( resid 74 and name HN ) ( resid 74 and name HG* ) 3.12 1.32 1.32 assign ( resid 74 and name HN ) ( resid 74 and name HE2* ) 4.33 2.53 2.53 assign ( resid 74 and name HA ) ( resid 74 and name HG* ) 2.88 1.09 1.09 assign ( resid 74 and name HG* ) ( resid 75 and name HN ) 3.81 2.01 2.01 assign ( resid 74 and name HG* ) ( resid 77 and name HB* ) 4.56 2.76 2.76 assign ( resid 74 and name HE2* ) ( resid 78 and name HG2* ) 4.84 3.04 3.04 assign ( resid 75 and name HN ) ( resid 75 and name HG1* ) 2.96 1.17 1.17 assign ( resid 75 and name HG2* ) ( resid 76 and name HG* ) 4.67 2.87 2.87 assign ( resid 75 and name HG1* ) ( resid 76 and name HN ) 3.66 1.87 1.87 assign ( resid 75 and name HG1* ) ( resid 113 and name HG1* ) 3.70 1.90 1.90 assign ( resid 75 and name HG1* ) ( resid 113 and name HG2* ) 3.05 1.25 1.25 assign ( resid 76 and name HN ) ( resid 76 and name HG* ) 2.79 1.00 1.00 assign ( resid 76 and name HA ) ( resid 76 and name HG* ) 2.56 0.77 0.77 assign ( resid 76 and name HG* ) ( resid 77 and name HN ) 3.31 1.52 1.52 assign ( resid 77 and name HB* ) ( resid 81 and name HD2* ) 4.06 2.27 2.27 assign ( resid 78 and name HA ) ( resid 81 and name HB* ) 2.71 0.92 0.92 assign ( resid 78 and name HG1* ) ( resid 79 and name HB* ) 4.85 3.05 3.05 assign ( resid 78 and name HG1* ) ( resid 81 and name HD2* ) 4.01 2.22 2.22 assign ( resid 78 and name HG2* ) ( resid 81 and name HD2* ) 4.33 2.54 2.54 assign ( resid 79 and name HN ) ( resid 79 and name HG* ) 3.31 1.51 1.51 assign ( resid 79 and name HB* ) ( resid 79 and name HE* ) 4.00 2.21 2.21 assign ( resid 79 and name HB* ) ( resid 80 and name HN ) 2.61 0.82 0.82 assign ( resid 79 and name HG* ) ( resid 80 and name HN ) 3.70 1.90 1.90 assign ( resid 79 and name HG* ) ( resid 83 and name HD1* ) 3.71 1.92 1.92 assign ( resid 80 and name HB* ) ( resid 81 and name HN ) 2.89 1.09 1.09 assign ( resid 81 and name HN ) ( resid 81 and name HB* ) 2.66 0.86 0.86 assign ( resid 81 and name HB* ) ( resid 82 and name HN ) 3.10 1.31 1.31 assign ( resid 81 and name HB* ) ( resid 102 and name HG2* ) 3.42 1.62 1.62 assign ( resid 81 and name HB* ) ( resid 106 and name HG1* ) 3.95 2.15 2.15 assign ( resid 81 and name HB* ) ( resid 106 and name HG2* ) 3.15 1.36 1.36 assign ( resid 81 and name HD2* ) ( resid 82 and name HN ) 4.33 2.53 2.53 assign ( resid 81 and name HD2* ) ( resid 106 and name HG2* ) 4.84 3.04 3.04 assign ( resid 94 and name HN ) ( resid 94 and name HG1* ) 3.54 1.75 1.75 assign ( resid 94 and name HD1* ) ( resid 102 and name HG1* ) 4.85 3.05 3.05 assign ( resid 100 and name HN ) ( resid 100 and name HG* ) 3.79 2.00 2.00 assign ( resid 100 and name HA ) ( resid 100 and name HD* ) 3.76 1.96 1.96 assign ( resid 100 and name HG* ) ( resid 101 and name HN ) 3.79 2.00 2.00 assign ( resid 101 and name HA ) ( resid 104 and name HG* ) 4.19 2.40 2.40 assign ( resid 102 and name HG1* ) ( resid 103 and name HN ) 3.63 1.84 1.84 assign ( resid 104 and name HN ) ( resid 104 and name HB* ) 2.55 0.76 0.76 assign ( resid 104 and name HN ) ( resid 104 and name HG* ) 2.83 1.04 1.04 assign ( resid 104 and name HA ) ( resid 104 and name HG* ) 2.68 0.89 0.89 assign ( resid 104 and name HB* ) ( resid 105 and name HN ) 2.61 0.81 0.81 assign ( resid 104 and name HG* ) ( resid 105 and name HN ) 3.61 1.81 1.81 assign ( resid 107 and name HA ) ( resid 110 and name HB* ) 2.90 1.11 1.11 assign ( resid 108 and name HA ) ( resid 111 and name HB* ) 3.24 1.45 1.45 assign ( resid 110 and name HN ) ( resid 110 and name HB* ) 2.58 0.79 0.79 assign ( resid 110 and name HB* ) ( resid 111 and name HN ) 2.66 0.86 0.86 assign ( resid 111 and name HN ) ( resid 111 and name HB* ) 2.58 0.79 0.79 assign ( resid 111 and name HA ) ( resid 114 and name HG* ) 4.34 2.54 2.54 assign ( resid 111 and name HB* ) ( resid 112 and name HN ) 2.74 0.94 0.94 assign ( resid 112 and name HA ) ( resid 115 and name HB* ) 2.90 1.11 1.11 assign ( resid 112 and name HB* ) ( resid 115 and name HB* ) 4.85 3.05 3.05 assign ( resid 113 and name HA ) ( resid 116 and name HB* ) 3.60 1.81 1.81 assign ( resid 113 and name HG1* ) ( resid 117 and name HG1* ) 3.80 2.01 2.01 assign ( resid 114 and name HN ) ( resid 114 and name HG* ) 3.47 1.67 1.67 assign ( resid 114 and name HG* ) ( resid 117 and name HD1* ) 4.00 2.21 2.21 assign ( resid 115 and name HN ) ( resid 115 and name HB* ) 2.43 0.64 0.64 assign ( resid 116 and name HN ) ( resid 116 and name HG* ) 2.98 1.19 1.19 assign ( resid 116 and name HA ) ( resid 116 and name HG* ) 2.84 1.05 1.05 assign ( resid 116 and name HG* ) ( resid 117 and name HN ) 3.60 1.81 1.81 assign ( resid 117 and name HN ) ( resid 117 and name HG1* ) 3.08 1.28 1.28 assign ( resid 117 and name HA ) ( resid 120 and name HB* ) 4.34 2.54 2.54 assign ( resid 117 and name HG2* ) ( resid 120 and name HB* ) 4.25 2.46 2.46 assign ( resid 117 and name HG1* ) ( resid 118 and name HN ) 3.47 1.68 1.68 assign ( resid 119 and name HN ) ( resid 119 and name HG* ) 3.23 1.43 1.43 assign ( resid 120 and name HA ) ( resid 120 and name HG* ) 2.69 0.89 0.89 assign ( resid 7 and name O ) ( resid 11 and name HN ) 2.00 0.20 0.30 assign ( resid 7 and name O ) ( resid 11 and name N ) 3.00 0.30 0.30 assign ( resid 8 and name O ) ( resid 12 and name HN ) 2.00 0.20 0.30 assign ( resid 8 and name O ) ( resid 12 and name N ) 3.00 0.30 0.30 assign ( resid 9 and name O ) ( resid 13 and name HN ) 2.00 0.20 0.30 assign ( resid 9 and name O ) ( resid 13 and name N ) 3.00 0.30 0.30 assign ( resid 10 and name O ) ( resid 14 and name HN ) 2.00 0.20 0.30 assign ( resid 10 and name O ) ( resid 14 and name N ) 3.00 0.30 0.30 assign ( resid 11 and name O ) ( resid 15 and name HN ) 2.00 0.20 0.30 assign ( resid 11 and name O ) ( resid 15 and name N ) 3.00 0.30 0.30 assign ( resid 12 and name O ) ( resid 16 and name HN ) 2.00 0.20 0.30 assign ( resid 12 and name O ) ( resid 16 and name N ) 3.00 0.30 0.30 assign ( resid 13 and name O ) ( resid 17 and name HN ) 2.00 0.20 0.30 assign ( resid 13 and name O ) ( resid 17 and name N ) 3.00 0.30 0.30 assign ( resid 14 and name O ) ( resid 18 and name HN ) 2.00 0.20 0.30 assign ( resid 14 and name O ) ( resid 18 and name N ) 3.00 0.30 0.30 assign ( resid 15 and name O ) ( resid 19 and name HN ) 2.00 0.20 0.30 assign ( resid 15 and name O ) ( resid 19 and name N ) 3.00 0.30 0.30 assign ( resid 16 and name O ) ( resid 20 and name HN ) 2.00 0.20 0.30 assign ( resid 16 and name O ) ( resid 20 and name N ) 3.00 0.30 0.30 assign ( resid 17 and name O ) ( resid 21 and name HN ) 2.00 0.20 0.30 assign ( resid 17 and name O ) ( resid 21 and name N ) 3.00 0.30 0.30 assign ( resid 18 and name O ) ( resid 22 and name HN ) 2.00 0.20 0.30 assign ( resid 18 and name O ) ( resid 22 and name N ) 3.00 0.30 0.30 assign ( resid 19 and name O ) ( resid 23 and name HN ) 2.00 0.20 0.30 assign ( resid 19 and name O ) ( resid 23 and name N ) 3.00 0.30 0.30 assign ( resid 20 and name O ) ( resid 24 and name HN ) 2.00 0.20 0.30 assign ( resid 20 and name O ) ( resid 24 and name N ) 3.00 0.30 0.30 assign ( resid 21 and name O ) ( resid 25 and name HN ) 2.00 0.20 0.30 assign ( resid 21 and name O ) ( resid 25 and name N ) 3.00 0.30 0.30 assign ( resid 22 and name O ) ( resid 26 and name HN ) 2.00 0.20 0.30 assign ( resid 22 and name O ) ( resid 26 and name N ) 3.00 0.30 0.30 assign ( resid 23 and name O ) ( resid 27 and name HN ) 2.00 0.20 0.30 assign ( resid 23 and name O ) ( resid 27 and name N ) 3.00 0.30 0.30 assign ( resid 43 and name O ) ( resid 47 and name HN ) 2.00 0.20 0.30 assign ( resid 43 and name O ) ( resid 47 and name N ) 3.00 0.30 0.30 assign ( resid 44 and name O ) ( resid 48 and name HN ) 2.00 0.20 0.30 assign ( resid 44 and name O ) ( resid 48 and name N ) 3.00 0.30 0.30 assign ( resid 46 and name O ) ( resid 50 and name HN ) 2.00 0.20 0.30 assign ( resid 46 and name O ) ( resid 50 and name N ) 3.00 0.30 0.30 assign ( 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and name C ) ( resid 16 and name N ) (resid 16 and name CA ) ( resid 16 and name C ) 1 -66.00 13.00 2 assign ( resid 16 and name N ) ( resid 16 and name CA ) (resid 16 and name C ) ( resid 17 and name N ) 1 -44.00 11.00 2 assign ( resid 16 and name C ) ( resid 17 and name N ) (resid 17 and name CA ) ( resid 17 and name C ) 1 -62.00 13.00 2 assign ( resid 17 and name N ) ( resid 17 and name CA ) (resid 17 and name C ) ( resid 18 and name N ) 1 -41.00 14.00 2 assign ( resid 17 and name C ) ( resid 18 and name N ) (resid 18 and name CA ) ( resid 18 and name C ) 1 -66.00 15.00 2 assign ( resid 18 and name N ) ( resid 18 and name CA ) (resid 18 and name C ) ( resid 19 and name N ) 1 -43.00 12.00 2 assign ( resid 18 and name C ) ( resid 19 and name N ) (resid 19 and name CA ) ( resid 19 and name C ) 1 -63.00 16.00 2 assign ( resid 19 and name N ) ( resid 19 and name CA ) (resid 19 and name C ) ( resid 20 and name N ) 1 -38.00 31.00 2 assign ( resid 19 and name C ) ( resid 20 and name N ) (resid 20 and name CA ) ( resid 20 and name C ) 1 -64.00 11.00 2 assign ( resid 20 and name N ) ( resid 20 and name CA ) (resid 20 and name C ) ( resid 21 and name N ) 1 -41.00 22.00 2 assign ( resid 20 and name C ) ( resid 21 and name N ) (resid 21 and name CA ) ( resid 21 and name C ) 1 -67.00 18.00 2 assign ( resid 21 and name N ) ( resid 21 and name CA ) (resid 21 and name C ) ( resid 22 and name N ) 1 -41.00 14.00 2 assign ( resid 21 and name C ) ( resid 22 and name N ) (resid 22 and name CA ) ( resid 22 and name C ) 1 -67.00 10.00 2 assign ( resid 22 and name N ) ( resid 22 and name CA ) (resid 22 and name C ) ( resid 23 and name N ) 1 -40.00 11.00 2 assign ( resid 22 and name C ) ( resid 23 and name N ) (resid 23 and name CA ) ( resid 23 and name C ) 1 -68.00 11.00 2 assign ( resid 23 and name N ) ( resid 23 and name CA ) (resid 23 and name C ) ( resid 24 and name N ) 1 -39.00 10.00 2 assign ( resid 23 and name C ) ( resid 24 and name N ) (resid 24 and name CA ) ( resid 24 and 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57 and name C ) ( resid 58 and name N ) (resid 58 and name CA ) ( resid 58 and name C ) 1 -65.00 12.00 2 assign ( resid 58 and name N ) ( resid 58 and name CA ) (resid 58 and name C ) ( resid 59 and name N ) 1 -41.00 12.00 2 assign ( resid 58 and name C ) ( resid 59 and name N ) (resid 59 and name CA ) ( resid 59 and name C ) 1 -61.00 10.00 2 assign ( resid 59 and name N ) ( resid 59 and name CA ) (resid 59 and name C ) ( resid 60 and name N ) 1 -36.00 15.00 2 assign ( resid 59 and name C ) ( resid 60 and name N ) (resid 60 and name CA ) ( resid 60 and name C ) 1 -62.00 13.00 2 assign ( resid 60 and name N ) ( resid 60 and name CA ) (resid 60 and name C ) ( resid 61 and name N ) 1 -42.00 11.00 2 assign ( resid 60 and name C ) ( resid 61 and name N ) (resid 61 and name CA ) ( resid 61 and name C ) 1 -65.00 10.00 2 assign ( resid 61 and name N ) ( resid 61 and name CA ) (resid 61 and name C ) ( resid 62 and name N ) 1 -42.00 11.00 2 assign ( resid 62 and name C ) ( resid 63 and name N ) (resid 63 and name CA ) ( resid 63 and name C ) 1 -68.00 13.00 2 assign ( resid 63 and name N ) ( resid 63 and name CA ) (resid 63 and name C ) ( resid 64 and name N ) 1 -35.00 14.00 2 assign ( resid 71 and name C ) ( resid 72 and name N ) (resid 72 and name CA ) ( resid 72 and name C ) 1 -57.00 10.00 2 assign ( resid 72 and name N ) ( resid 72 and name CA ) (resid 72 and name C ) ( resid 73 and name N ) 1 -40.00 17.00 2 assign ( resid 72 and name C ) ( resid 73 and name N ) (resid 73 and name CA ) ( resid 73 and name C ) 1 -65.00 16.00 2 assign ( resid 73 and name N ) ( resid 73 and name CA ) (resid 73 and name C ) ( resid 74 and name N ) 1 -42.00 15.00 2 assign ( resid 73 and name C ) ( resid 74 and name N ) (resid 74 and name CA ) ( resid 74 and name C ) 1 -61.00 10.00 2 assign ( resid 74 and name N ) ( resid 74 and name CA ) (resid 74 and name C ) ( resid 75 and name N ) 1 -44.00 15.00 2 assign ( resid 74 and name C ) ( resid 75 and name N ) (resid 75 and name CA ) ( resid 75 and name C ) 1 -66.00 21.00 2 assign ( resid 75 and name N ) ( resid 75 and name CA ) (resid 75 and name C ) ( resid 76 and name N ) 1 -42.00 15.00 2 assign ( resid 75 and name C ) ( resid 76 and name N ) (resid 76 and name CA ) ( resid 76 and name C ) 1 -63.00 18.00 2 assign ( resid 76 and name N ) ( resid 76 and name CA ) (resid 76 and name C ) ( resid 77 and name N ) 1 -37.00 12.00 2 assign ( resid 77 and name C ) ( resid 78 and name N ) (resid 78 and name CA ) ( resid 78 and name C ) 1 -64.00 15.00 2 assign ( resid 78 and name N ) ( resid 78 and name CA ) (resid 78 and name C ) ( resid 79 and name N ) 1 -46.00 11.00 2 assign ( resid 78 and name C ) ( resid 79 and name N ) (resid 79 and name CA ) ( resid 79 and name C ) 1 -61.00 10.00 2 assign ( resid 79 and name N ) ( resid 79 and name CA ) (resid 79 and name C ) ( resid 80 and name N ) 1 -41.00 12.00 2 assign ( resid 79 and name C ) ( resid 80 and name N ) (resid 80 and name CA ) ( resid 80 and name C ) 1 -64.00 13.00 2 assign ( resid 80 and name N ) ( resid 80 and name CA ) (resid 80 and name C ) ( resid 81 and name N ) 1 -40.00 13.00 2 assign ( resid 80 and name C ) ( resid 81 and name N ) (resid 81 and name CA ) ( resid 81 and name C ) 1 -67.00 14.00 2 assign ( resid 81 and name N ) ( resid 81 and name CA ) (resid 81 and name C ) ( resid 82 and name N ) 1 -37.00 12.00 2 assign ( resid 81 and name C ) ( resid 82 and name N ) (resid 82 and name CA ) ( resid 82 and name C ) 1 -65.00 12.00 2 assign ( resid 82 and name N ) ( resid 82 and name CA ) (resid 82 and name C ) ( resid 83 and name N ) 1 -44.00 11.00 2 assign ( resid 82 and name C ) ( resid 83 and name N ) (resid 83 and name CA ) ( resid 83 and name C ) 1 -62.00 11.00 2 assign ( resid 83 and name N ) ( resid 83 and name CA ) (resid 83 and name C ) ( resid 84 and name N ) 1 -38.00 11.00 2 assign ( resid 83 and name C ) ( resid 84 and name N ) (resid 84 and name CA ) ( resid 84 and name C ) 1 -67.00 10.00 2 assign ( resid 84 and name N ) ( resid 84 and name CA ) (resid 84 and name C ) ( resid 85 and name N ) 1 -43.00 12.00 2 assign ( resid 84 and name C ) ( resid 85 and name N ) (resid 85 and name CA ) ( resid 85 and name C ) 1 -65.00 12.00 2 assign ( resid 85 and name N ) ( resid 85 and name CA ) (resid 85 and name C ) ( resid 86 and name N ) 1 -41.00 12.00 2 assign ( resid 85 and name C ) ( resid 86 and name N ) (resid 86 and name CA ) ( resid 86 and name C ) 1 -63.00 10.00 2 assign ( resid 86 and name N ) ( resid 86 and name CA ) (resid 86 and name C ) ( resid 87 and name N ) 1 -46.00 11.00 2 assign ( resid 86 and name C ) ( resid 87 and name N ) (resid 87 and name CA ) ( resid 87 and name C ) 1 -58.00 11.00 2 assign ( resid 87 and name N ) ( resid 87 and name CA ) (resid 87 and name C ) ( resid 88 and name N ) 1 -42.00 19.00 2 assign ( resid 88 and name C ) ( resid 89 and name N ) (resid 89 and name CA ) ( resid 89 and name C ) 1 -63.00 16.00 2 assign ( resid 89 and name N ) ( resid 89 and name CA ) (resid 89 and name C ) ( resid 90 and name N ) 1 -36.00 23.00 2 assign ( resid 89 and name C ) ( resid 90 and name N ) (resid 90 and name CA ) ( resid 90 and name C ) 1 -84.00 26.00 2 assign ( resid 90 and name N ) ( resid 90 and name CA ) (resid 90 and name C ) ( resid 91 and name N ) 1 -35.00 22.00 2 assign ( resid 96 and name C ) ( resid 97 and name N ) (resid 97 and name CA ) ( resid 97 and name C ) 1 -62.00 10.00 2 assign ( resid 97 and name N ) ( resid 97 and name CA ) (resid 97 and name C ) ( resid 98 and name N ) 1 -43.00 14.00 2 assign ( resid 97 and name C ) ( resid 98 and name N ) (resid 98 and name CA ) ( resid 98 and name C ) 1 -66.00 13.00 2 assign ( resid 98 and name N ) ( resid 98 and name CA ) (resid 98 and name C ) ( resid 99 and name N ) 1 -39.00 16.00 2 assign ( resid 98 and name C ) ( resid 99 and name N ) (resid 99 and name CA ) ( resid 99 and name C ) 1 -61.00 14.00 2 assign ( resid 99 and name N ) ( resid 99 and name CA ) (resid 99 and name C ) ( resid 100 and name N ) 1 -44.00 11.00 2 assign ( resid 99 and name C ) ( resid 100 and name N ) (resid 100 and name CA ) ( resid 100 and name C ) 1 -63.00 10.00 2 assign ( resid 100 and name N ) ( resid 100 and name CA ) (resid 100 and name C ) ( resid 101 and name N ) 1 -39.00 26.00 2 assign ( resid 100 and name C ) ( resid 101 and name N ) (resid 101 and name CA ) ( resid 101 and name C ) 1 -68.00 11.00 2 assign ( resid 101 and name N ) ( resid 101 and name CA ) (resid 101 and name C ) ( resid 102 and name N ) 1 -36.00 21.00 2 assign ( resid 101 and name C ) ( resid 102 and name N ) (resid 102 and name CA ) ( resid 102 and name C ) 1 -64.00 11.00 2 assign ( resid 102 and name N ) ( resid 102 and name CA ) (resid 102 and name C ) ( resid 103 and name N ) 1 -43.00 10.00 2 assign ( resid 102 and name C ) ( resid 103 and name N ) (resid 103 and name CA ) ( resid 103 and name C ) 1 -66.00 11.00 2 assign ( resid 103 and name N ) ( resid 103 and name CA ) (resid 103 and name C ) ( resid 104 and name N ) 1 -41.00 10.00 2 assign ( resid 103 and name C ) ( resid 104 and name N ) (resid 104 and name CA ) ( resid 104 and name C ) 1 -61.00 12.00 2 assign ( resid 104 and name N ) ( resid 104 and name CA ) (resid 104 and name C ) ( resid 105 and name N ) 1 -42.00 13.00 2 assign ( resid 104 and name C ) ( resid 105 and name N ) (resid 105 and name CA ) ( resid 105 and name C ) 1 -65.00 10.00 2 assign ( resid 105 and name N ) ( resid 105 and name CA ) (resid 105 and name C ) ( resid 106 and name N ) 1 -39.00 10.00 2 assign ( resid 105 and name C ) ( resid 106 and name N ) (resid 106 and name CA ) ( resid 106 and name C ) 1 -63.00 12.00 2 assign ( resid 106 and name N ) ( resid 106 and name CA ) (resid 106 and name C ) ( resid 107 and name N ) 1 -46.00 11.00 2 assign ( resid 106 and name C ) ( resid 107 and name N ) (resid 107 and name CA ) ( resid 107 and name C ) 1 -61.00 10.00 2 assign ( resid 107 and name N ) ( resid 107 and name CA ) (resid 107 and name C ) ( resid 108 and name N ) 1 -38.00 11.00 2 assign ( resid 107 and name C ) ( resid 108 and name N ) (resid 108 and name CA ) ( resid 108 and name C ) 1 -67.00 16.00 2 assign ( resid 108 and name N ) ( resid 108 and name CA ) (resid 108 and name C ) ( resid 109 and name N ) 1 -40.00 19.00 2 assign ( resid 108 and name C ) ( resid 109 and name N ) (resid 109 and name CA ) ( resid 109 and name C ) 1 -69.00 18.00 2 assign ( resid 109 and name N ) ( resid 109 and name CA ) (resid 109 and name C ) ( resid 110 and name N ) 1 -39.00 10.00 2 assign ( resid 109 and name C ) ( resid 110 and name N ) (resid 110 and name CA ) ( resid 110 and name C ) 1 -61.00 10.00 2 assign ( resid 110 and name N ) ( resid 110 and name CA ) (resid 110 and name C ) ( resid 111 and name N ) 1 -43.00 10.00 2 assign ( resid 110 and name C ) ( resid 111 and name N ) (resid 111 and name CA ) ( resid 111 and name C ) 1 -61.00 10.00 2 assign ( resid 111 and name N ) ( resid 111 and name CA ) (resid 111 and name C ) ( resid 112 and name N ) 1 -42.00 13.00 2 assign ( resid 111 and name C ) ( resid 112 and name N ) (resid 112 and name CA ) ( resid 112 and name C ) 1 -63.00 10.00 2 assign ( resid 112 and name N ) ( resid 112 and name CA ) (resid 112 and name C ) ( resid 113 and name N ) 1 -39.00 10.00 2 assign ( resid 112 and name C ) ( resid 113 and name N ) (resid 113 and name CA ) ( resid 113 and name C ) 1 -65.00 12.00 2 assign ( resid 113 and name N ) ( resid 113 and name CA ) (resid 113 and name C ) ( resid 114 and name N ) 1 -43.00 10.00 2 assign ( resid 113 and name C ) ( resid 114 and name N ) (resid 114 and name CA ) ( resid 114 and name C ) 1 -62.00 11.00 2 assign ( resid 114 and name N ) ( resid 114 and name CA ) (resid 114 and name C ) ( resid 115 and name N ) 1 -42.00 13.00 2 assign ( resid 114 and name C ) ( resid 115 and name N ) (resid 115 and name CA ) ( resid 115 and name C ) 1 -64.00 11.00 2 assign ( resid 115 and name N ) ( resid 115 and name CA ) (resid 115 and name C ) ( resid 116 and name N ) 1 -41.00 10.00 2 assign ( resid 115 and name C ) ( resid 116 and name N ) (resid 116 and name CA ) ( resid 116 and name C ) 1 -68.00 13.00 2 assign ( resid 116 and name N ) ( resid 116 and name CA ) (resid 116 and name C ) ( resid 117 and name N ) 1 -40.00 13.00 2 assign ( resid 116 and name C ) ( resid 117 and name N ) (resid 117 and name CA ) ( resid 117 and name C ) 1 -69.00 22.00 2 assign ( resid 117 and name N ) ( resid 117 and name CA ) (resid 117 and name C ) ( resid 118 and name N ) 1 -42.00 11.00 2 assign ( resid 119 and name C ) ( resid 120 and name N ) (resid 120 and name CA ) ( resid 120 and name C ) 1 -80.00 28.00 2 assign ( resid 120 and name N ) ( resid 120 and name CA ) (resid 120 and name C ) ( resid 121 and name N ) 1 -20.00 44.00 2 assign ( resid 26 and name C ) ( resid 27 and name N ) (resid 27 and name CA ) ( resid 27 and name C ) 1 -180.00 135.00 2 assign ( resid 56 and name C ) ( resid 57 and name N ) (resid 57 and name CA ) ( resid 57 and name C ) 1 -180.00 135.00 2 assign ( resid 57 and name N ) ( resid 57 and name CA ) (resid 57 and name C ) ( resid 58 and name N ) 1 0.00 115.00 2 assign ( resid 61 and name C ) ( resid 62 and name N ) (resid 62 and name CA ) ( resid 62 and name C ) 1 -180.00 135.00 2 assign ( resid 61 and name C ) ( resid 62 and name N ) (resid 62 and name CA ) ( resid 62 and name C ) 1 -40.00 115.00 2 assign ( resid 62 and name N ) ( resid 62 and name CA ) (resid 62 and name C ) ( resid 63 and name N ) 1 10.00 95.00 2 assign ( resid 63 and name C ) ( resid 64 and name N ) (resid 64 and name CA ) ( resid 64 and name C ) 1 -95.00 50.00 2 assign ( resid 64 and name N ) ( resid 64 and name CA ) (resid 64 and name C ) ( resid 65 and name N ) 1 -40.00 45.00 2 assign ( resid 76 and name C ) ( resid 77 and name N ) (resid 77 and name CA ) ( resid 77 and name C ) 1 -180.00 135.00 2 assign ( resid 76 and name C ) ( resid 77 and name N ) (resid 77 and name CA ) ( resid 77 and name C ) 1 -55.00 130.00 2 assign ( resid 77 and name N ) ( resid 77 and name CA ) (resid 77 and name C ) ( resid 78 and name N ) 1 0.00 85.00 2 assign ( resid 87 and name C ) ( resid 88 and name N ) (resid 88 and name CA ) ( resid 88 and name C ) 1 -180.00 135.00 2 assign ( resid 87 and name C ) ( resid 88 and name N ) (resid 88 and name CA ) ( resid 88 and name C ) 1 -55.00 130.00 2 assign ( resid 88 and name N ) ( resid 88 and name CA ) (resid 88 and name C ) ( resid 89 and name N ) 1 30.00 115.00 2 assign ( resid 117 and name C ) ( resid 118 and name N ) (resid 118 and name CA ) ( resid 118 and name C ) 1 -180.00 135.00 2 assign ( resid 117 and name C ) ( resid 118 and name N ) (resid 118 and name CA ) ( resid 118 and name C ) 1 -55.00 130.00 2 assign ( resid 118 and name N ) ( resid 118 and name CA ) (resid 118 and name C ) ( resid 119 and name N ) 1 5.00 90.00 2 assign ( resid 118 and name C ) ( resid 119 and name N ) (resid 119 and name CA ) ( resid 119 and name C ) 1 -180.00 135.00 2 assign ( resid 118 and name C ) ( resid 119 and name N ) (resid 119 and name CA ) ( resid 119 and name C ) 1 -60.00 125.00 2 assign ( resid 119 and name N ) ( resid 119 and name CA ) (resid 119 and name C ) ( resid 120 and name N ) 1 55.00 140.00 2 # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 N #INAME 2 H #INAME 3 HN #CYANAFORMAT NhH 4002 124.259 8.968 8.968 3 U 1.000e+06 0.00e+00 e 0 104 105 105 0 4003 124.259 3.968 8.968 2 U 0.000e+00 0.00e+00 - 0 104 107 105 0 4011 118.961 7.905 7.905 3 U 1.000e+06 0.00e+00 e 0 126 127 127 0 4012 118.961 8.968 7.905 2 U 1.980e+03 0.00e+00 e 0 126 105 127 0 4013 118.961 3.968 7.905 2 U 8.120e+03 0.00e+00 e 0 126 107 127 0 4014 118.961 1.641 7.905 2 U 1.040e+04 0.00e+00 e 0 126 109 127 0 4015 118.961 1.912 7.905 2 U 1.100e+04 0.00e+00 e 0 126 110 127 0 4016 118.961 1.618 7.905 2 U 9.340e+03 0.00e+00 e 0 126 113 127 0 4017 118.961 0.940 7.905 2 U 5.430e+03 0.00e+00 e 0 126 114 127 0 4018 118.961 0.967 7.905 2 U 5.650e+03 0.00e+00 e 0 126 115 127 0 4019 118.961 4.039 7.905 2 U 2.900e+04 0.00e+00 e 0 126 129 127 0 4020 118.961 2.049 7.905 2 U 3.806e+04 0.00e+00 e 0 126 131 127 0 4021 118.961 2.306 7.905 2 U 2.050e+04 0.00e+00 e 0 126 132 127 0 4022 118.961 2.289 7.905 2 U 2.475e+04 0.00e+00 e 0 126 135 127 0 4023 118.961 2.404 7.905 2 U 1.586e+04 0.00e+00 e 0 126 136 127 0 4024 118.961 8.517 7.905 2 U 2.710e+04 0.00e+00 e 0 126 142 127 0 4025 118.961 8.468 7.905 2 U 2.820e+03 0.00e+00 e 0 126 160 127 0 4026 117.546 8.517 8.517 3 U 1.000e+06 0.00e+00 e 0 141 142 142 0 4028 117.546 3.968 8.517 2 U 3.620e+03 0.00e+00 e 0 141 107 142 0 4029 117.546 7.898 8.517 2 U 1.130e+04 0.00e+00 e 0 141 127 142 0 4030 117.546 4.039 8.517 2 U 1.224e+04 0.00e+00 e 0 141 129 142 0 4031 117.546 2.049 8.517 2 U 8.900e+03 0.00e+00 e 0 141 131 142 0 4032 117.546 2.307 8.517 2 U 1.010e+04 0.00e+00 e 0 141 132 142 0 4033 117.546 2.289 8.517 2 U 7.600e+03 0.00e+00 e 0 141 135 142 0 4034 117.546 2.404 8.517 2 U 6.780e+03 0.00e+00 e 0 141 136 142 0 4035 117.546 4.031 8.517 2 U 1.519e+04 0.00e+00 e 0 141 144 142 0 4036 117.546 2.518 8.517 2 U 1.280e+04 0.00e+00 e 0 141 148 142 0 4037 117.546 2.420 8.517 2 U 8.820e+03 0.00e+00 e 0 141 150 142 0 4038 117.546 2.783 8.517 2 U 1.220e+04 0.00e+00 e 0 141 151 142 0 4039 117.546 2.002 8.517 2 U 8.960e+03 0.00e+00 e 0 141 153 142 0 4040 117.546 8.468 8.517 2 U 9.760e+03 0.00e+00 e 0 141 160 142 0 4042 116.583 8.468 8.468 3 U 1.000e+06 0.00e+00 e 0 159 160 160 0 4043 116.583 3.968 8.468 2 U 3.940e+03 0.00e+00 e 0 159 107 160 0 4044 116.583 7.898 8.468 2 U 1.170e+03 0.00e+00 e 0 159 127 160 0 4045 116.583 4.039 8.468 2 U 3.540e+03 0.00e+00 e 0 159 129 160 0 4046 116.583 8.517 8.468 2 U 1.660e+04 0.00e+00 e 0 159 142 160 0 4047 116.583 4.031 8.468 2 U 5.420e+03 0.00e+00 e 0 159 144 160 0 4048 116.583 2.518 8.468 2 U 3.970e+03 0.00e+00 e 0 159 148 160 0 4050 116.583 2.783 8.468 2 U 2.930e+03 0.00e+00 e 0 159 151 160 0 4051 116.583 2.002 8.468 2 U 4.840e+03 0.00e+00 e 0 159 153 160 0 4052 116.583 3.552 8.468 2 U 3.010e+03 0.00e+00 e 0 159 162 160 0 4053 116.583 4.493 8.468 2 U 1.150e+04 0.00e+00 e 0 159 164 160 0 4054 116.583 1.203 8.468 2 U 8.970e+03 0.00e+00 e 0 159 165 160 0 4055 116.583 8.504 8.468 2 U 1.600e+04 0.00e+00 e 0 159 173 160 0 4056 116.583 8.138 8.468 2 U 7.100e+02 0.00e+00 e 0 159 188 160 0 4057 119.418 8.504 8.504 3 U 1.000e+06 0.00e+00 e 0 172 173 173 0 4058 119.418 3.968 8.504 2 U 5.180e+03 0.00e+00 e 0 172 107 173 0 4059 119.418 4.039 8.504 2 U 5.100e+03 0.00e+00 e 0 172 129 173 0 4062 119.418 8.468 8.504 2 U 9.120e+03 0.00e+00 e 0 172 160 173 0 4063 119.418 3.552 8.504 2 U 4.140e+03 0.00e+00 e 0 172 162 173 0 4064 119.418 4.493 8.504 2 U 2.370e+04 0.00e+00 e 0 172 164 173 0 4065 119.418 1.203 8.504 2 U 7.640e+03 0.00e+00 e 0 172 165 173 0 4066 119.418 3.909 8.504 2 U 6.850e+03 0.00e+00 e 0 172 175 173 0 4067 119.418 2.081 8.504 2 U 4.330e+04 0.00e+00 e 0 172 177 173 0 4068 119.418 1.974 8.504 2 U 1.500e+04 0.00e+00 e 0 172 178 173 0 4069 119.418 2.062 8.504 2 U 1.030e+04 0.00e+00 e 0 172 181 173 0 4070 119.418 2.462 8.504 2 U 2.586e+04 0.00e+00 e 0 172 182 173 0 4071 119.418 8.138 8.504 2 U 3.060e+04 0.00e+00 e 0 172 188 173 0 4073 120.445 8.138 8.138 3 U 1.000e+06 0.00e+00 e 0 187 188 188 0 4074 120.445 4.039 8.138 2 U 5.680e+03 0.00e+00 e 0 187 129 188 0 4075 120.445 4.031 8.138 2 U 3.050e+03 0.00e+00 e 0 187 144 188 0 4076 120.445 8.468 8.138 2 U 1.510e+03 0.00e+00 e 0 187 160 188 0 4078 120.445 8.504 8.138 2 U 2.250e+04 0.00e+00 e 0 187 173 188 0 4079 120.445 3.909 8.138 2 U 4.270e+03 0.00e+00 e 0 187 175 188 0 4080 120.445 2.081 8.138 2 U 1.040e+04 0.00e+00 e 0 187 177 188 0 4081 120.445 1.974 8.138 2 U 1.220e+04 0.00e+00 e 0 187 178 188 0 4082 120.445 2.062 8.138 2 U 5.730e+03 0.00e+00 e 0 187 181 188 0 4083 120.445 2.462 8.138 2 U 2.650e+03 0.00e+00 e 0 187 182 188 0 4084 120.445 4.105 8.138 2 U 3.300e+04 0.00e+00 e 0 187 190 188 0 4085 120.445 2.090 8.138 2 U 2.950e+04 0.00e+00 e 0 187 192 188 0 4086 120.445 2.264 8.138 2 U 4.840e+04 0.00e+00 e 0 187 193 188 0 4087 120.445 2.316 8.138 2 U 1.126e+04 0.00e+00 e 0 187 196 188 0 4088 120.445 2.505 8.138 2 U 1.015e+04 0.00e+00 e 0 187 197 188 0 4091 120.445 8.115 8.138 2 U 2.760e+04 0.00e+00 e 0 187 206 188 0 4092 120.445 8.044 8.138 2 U 1.990e+03 0.00e+00 e 0 187 224 188 0 4093 110.144 7.344 7.344 3 U 1.000e+06 0.00e+00 e 0 200 201 201 0 4096 110.144 2.090 7.344 2 U 8.690e+03 0.00e+00 e 0 200 192 201 0 4097 110.144 2.264 7.344 2 U 2.590e+03 0.00e+00 e 0 200 193 201 0 4098 110.144 2.316 7.344 2 U 3.750e+04 0.00e+00 e 0 200 196 201 0 4099 110.144 2.505 7.344 2 U 1.210e+04 0.00e+00 e 0 200 197 201 0 4100 110.144 6.697 7.344 2 U 3.570e+05 0.00e+00 e 0 200 202 201 0 4101 110.144 6.697 6.697 3 U 1.000e+06 0.00e+00 e 0 200 202 202 0 4104 110.144 2.090 6.697 2 U 5.160e+03 0.00e+00 e 0 200 192 202 0 4105 110.144 2.264 6.697 2 U 2.320e+03 0.00e+00 e 0 200 193 202 0 4106 110.144 2.316 6.697 2 U 2.000e+04 0.00e+00 e 0 200 196 202 0 4107 110.144 2.505 6.697 2 U 1.390e+04 0.00e+00 e 0 200 197 202 0 4108 110.144 7.344 6.697 2 U 4.410e+05 0.00e+00 e 0 200 201 202 0 4109 118.510 8.115 8.115 3 U 1.000e+06 0.00e+00 e 0 205 206 206 0 4111 118.510 3.552 8.115 2 U 5.940e+03 0.00e+00 e 0 205 162 206 0 4112 118.510 8.504 8.115 2 U 2.730e+03 0.00e+00 e 0 205 173 206 0 4113 118.510 3.909 8.115 2 U 1.940e+03 0.00e+00 e 0 205 175 206 0 4114 118.510 8.138 8.115 2 U 2.910e+04 0.00e+00 e 0 205 188 206 0 4115 118.510 4.105 8.115 2 U 7.240e+03 0.00e+00 e 0 205 190 206 0 4116 118.510 2.090 8.115 2 U 3.290e+04 0.00e+00 e 0 205 192 206 0 4117 118.510 2.264 8.115 2 U 8.640e+03 0.00e+00 e 0 205 193 206 0 4118 118.510 2.316 8.115 2 U 2.150e+03 0.00e+00 e 0 205 196 206 0 4122 118.510 3.710 8.115 2 U 2.280e+04 0.00e+00 e 0 205 208 206 0 4123 118.510 1.196 8.115 2 U 1.492e+04 0.00e+00 e 0 205 210 206 0 4124 118.510 1.610 8.115 2 U 3.640e+04 0.00e+00 e 0 205 211 206 0 4125 118.510 1.222 8.115 2 U 1.290e+04 0.00e+00 e 0 205 216 206 0 4126 118.510 0.304 8.115 2 U 1.060e+04 0.00e+00 e 0 205 217 206 0 4127 118.510 8.044 8.115 2 U 5.370e+03 0.00e+00 e 0 205 224 206 0 4128 118.510 7.699 8.115 2 U 1.030e+03 0.00e+00 e 0 205 245 206 0 4129 119.394 8.044 8.044 3 U 1.000e+06 0.00e+00 e 0 223 224 224 0 4130 119.394 3.552 8.044 2 U 1.810e+03 0.00e+00 e 0 223 162 224 0 4131 119.394 3.909 8.044 2 U 5.620e+03 0.00e+00 e 0 223 175 224 0 4133 119.394 4.105 8.044 2 U 5.020e+03 0.00e+00 e 0 223 190 224 0 4134 119.394 8.115 8.044 2 U 1.470e+04 0.00e+00 e 0 223 206 224 0 4135 119.394 3.710 8.044 2 U 1.960e+03 0.00e+00 e 0 223 208 224 0 4136 119.394 1.196 8.044 2 U 6.947e+03 0.00e+00 e 0 223 210 224 0 4137 119.394 1.610 8.044 2 U 1.540e+04 0.00e+00 e 0 223 211 224 0 4138 119.394 1.222 8.044 2 U 4.382e+03 0.00e+00 e 0 223 216 224 0 4139 119.394 0.304 8.044 2 U 4.870e+03 0.00e+00 e 0 223 217 224 0 4140 119.394 3.272 8.044 2 U 1.370e+04 0.00e+00 e 0 223 226 224 0 4141 119.394 1.749 8.044 2 U 3.980e+04 0.00e+00 e 0 223 228 224 0 4142 119.394 0.805 8.044 2 U 2.320e+04 0.00e+00 e 0 223 229 224 0 4143 119.394 1.534 8.044 2 U 6.730e+03 0.00e+00 e 0 223 237 224 0 4144 119.394 0.220 8.044 2 U 1.350e+04 0.00e+00 e 0 223 238 224 0 4145 119.394 7.699 8.044 2 U 2.340e+04 0.00e+00 e 0 223 245 224 0 4146 119.394 8.410 8.044 2 U 2.580e+03 0.00e+00 e 0 223 260 224 0 4147 118.982 7.699 7.699 3 U 1.000e+06 0.00e+00 e 0 244 245 245 0 4148 118.982 3.909 7.699 2 U 3.340e+03 0.00e+00 e 0 244 175 245 0 4149 118.982 4.105 7.699 2 U 1.340e+04 0.00e+00 e 0 244 190 245 0 4150 118.982 8.115 7.699 2 U 3.260e+03 0.00e+00 e 0 244 206 245 0 4152 118.982 8.044 7.699 2 U 2.740e+04 0.00e+00 e 0 244 224 245 0 4153 118.982 3.272 7.699 2 U 3.800e+03 0.00e+00 e 0 244 226 245 0 4154 118.982 1.749 7.699 2 U 3.580e+04 0.00e+00 e 0 244 228 245 0 4155 118.982 0.805 7.699 2 U 2.850e+04 0.00e+00 e 0 244 229 245 0 4156 118.982 1.534 7.699 2 U 1.940e+03 0.00e+00 e 0 244 237 245 0 4157 118.982 0.220 7.699 2 U 2.100e+03 0.00e+00 e 0 244 238 245 0 4158 118.982 4.114 7.699 2 U 3.340e+04 0.00e+00 e 0 244 247 245 0 4159 118.982 2.073 7.699 2 U 2.810e+04 0.00e+00 e 0 244 249 245 0 4160 118.982 2.163 7.699 2 U 5.860e+04 0.00e+00 e 0 244 250 245 0 4161 118.982 2.215 7.699 2 U 1.069e+04 0.00e+00 e 0 244 253 245 0 4162 118.982 2.379 7.699 2 U 1.254e+04 0.00e+00 e 0 244 254 245 0 4163 118.982 8.410 7.699 2 U 3.880e+04 0.00e+00 e 0 244 260 245 0 4164 118.982 8.598 7.699 2 U 3.730e+03 0.00e+00 e 0 244 278 245 0 4165 119.495 8.410 8.410 3 U 1.000e+06 0.00e+00 e 0 259 260 260 0 4166 119.495 4.105 8.410 2 U 3.690e+03 0.00e+00 e 0 259 190 260 0 4167 119.495 3.710 8.410 2 U 1.280e+04 0.00e+00 e 0 259 208 260 0 4168 119.495 8.044 8.410 2 U 2.930e+03 0.00e+00 e 0 259 224 260 0 4170 119.495 7.699 8.410 2 U 3.180e+04 0.00e+00 e 0 259 245 260 0 4171 119.495 4.114 8.410 2 U 7.480e+03 0.00e+00 e 0 259 247 260 0 4172 119.495 2.073 8.410 2 U 3.480e+03 0.00e+00 e 0 259 249 260 0 4173 119.495 2.163 8.410 2 U 2.300e+04 0.00e+00 e 0 259 250 260 0 4174 119.495 2.215 8.410 2 U 1.070e+04 0.00e+00 e 0 259 253 260 0 4175 119.495 2.379 8.410 2 U 6.020e+03 0.00e+00 e 0 259 254 260 0 4176 119.495 3.531 8.410 2 U 3.900e+04 0.00e+00 e 0 259 262 260 0 4177 119.495 2.295 8.410 2 U 4.100e+04 0.00e+00 e 0 259 264 260 0 4178 119.495 1.237 8.410 2 U 9.230e+04 0.00e+00 e 0 259 265 260 0 4179 119.495 0.777 8.410 2 U 2.460e+04 0.00e+00 e 0 259 266 260 0 4180 119.495 8.598 8.410 2 U 3.470e+04 0.00e+00 e 0 259 278 260 0 4181 119.495 8.850 8.410 2 U 4.060e+03 0.00e+00 e 0 259 288 260 0 4182 123.067 8.598 8.598 3 U 1.000e+06 0.00e+00 e 0 277 278 278 0 4183 123.067 3.710 8.598 2 U 4.990e+03 0.00e+00 e 0 277 208 278 0 4184 123.067 3.272 8.598 2 U 3.060e+03 0.00e+00 e 0 277 226 278 0 4185 123.067 7.699 8.598 2 U 2.720e+03 0.00e+00 e 0 277 245 278 0 4186 123.067 4.114 8.598 2 U 3.600e+03 0.00e+00 e 0 277 247 278 0 4187 123.067 8.410 8.598 2 U 4.690e+04 0.00e+00 e 0 277 260 278 0 4188 123.067 3.531 8.598 2 U 1.050e+04 0.00e+00 e 0 277 262 278 0 4189 123.067 2.295 8.598 2 U 3.390e+04 0.00e+00 e 0 277 264 278 0 4190 123.067 1.237 8.598 2 U 1.650e+04 0.00e+00 e 0 277 265 278 0 4191 123.067 0.777 8.598 2 U 3.200e+04 0.00e+00 e 0 277 266 278 0 4192 123.067 4.076 8.598 2 U 2.730e+04 0.00e+00 e 0 277 280 278 0 4193 123.067 1.453 8.598 2 U 9.980e+04 0.00e+00 e 0 277 281 278 0 4194 123.067 8.850 8.598 2 U 4.320e+04 0.00e+00 e 0 277 288 278 0 4195 123.067 8.750 8.598 2 U 4.460e+03 0.00e+00 e 0 277 303 278 0 4196 117.931 8.850 8.850 3 U 1.000e+06 0.00e+00 e 0 287 288 288 0 4197 117.931 3.272 8.850 2 U 2.160e+03 0.00e+00 e 0 287 226 288 0 4198 117.931 4.114 8.850 2 U 1.600e+04 0.00e+00 e 0 287 247 288 0 4199 117.931 8.410 8.850 2 U 8.250e+02 0.00e+00 e 0 287 260 288 0 4201 117.931 8.598 8.850 2 U 3.190e+04 0.00e+00 e 0 287 278 288 0 4202 117.931 4.076 8.850 2 U 8.160e+03 0.00e+00 e 0 287 280 288 0 4203 117.931 1.453 8.850 2 U 4.240e+04 0.00e+00 e 0 287 281 288 0 4204 117.931 3.986 8.850 2 U 3.490e+04 0.00e+00 e 0 287 290 288 0 4205 117.931 2.235 8.850 2 U 3.311e+04 0.00e+00 e 0 287 292 288 0 4206 117.931 1.959 8.850 2 U 2.367e+04 0.00e+00 e 0 287 293 288 0 4207 117.931 2.141 8.850 2 U 2.208e+04 0.00e+00 e 0 287 296 288 0 4208 117.931 2.679 8.850 2 U 3.426e+04 0.00e+00 e 0 287 297 288 0 4209 117.931 8.750 8.850 2 U 3.720e+04 0.00e+00 e 0 287 303 288 0 4210 117.931 8.645 8.850 2 U 3.080e+03 0.00e+00 e 0 287 328 288 0 4211 119.215 8.750 8.750 3 U 1.000e+06 0.00e+00 e 0 302 303 303 0 4212 119.215 4.114 8.750 2 U 4.020e+03 0.00e+00 e 0 302 247 303 0 4213 119.215 3.531 8.750 2 U 4.640e+03 0.00e+00 e 0 302 262 303 0 4214 119.215 8.598 8.750 2 U 1.170e+03 0.00e+00 e 0 302 278 303 0 4216 119.215 8.850 8.750 2 U 1.960e+04 0.00e+00 e 0 302 288 303 0 4217 119.215 3.986 8.750 2 U 2.290e+03 0.00e+00 e 0 302 290 303 0 4218 119.215 2.235 8.750 2 U 7.980e+03 0.00e+00 e 0 302 292 303 0 4219 119.215 1.959 8.750 2 U 6.350e+03 0.00e+00 e 0 302 293 303 0 4220 119.215 2.141 8.750 2 U 6.690e+03 0.00e+00 e 0 302 296 303 0 4221 119.215 2.679 8.750 2 U 9.390e+02 0.00e+00 e 0 302 297 303 0 4222 119.215 4.154 8.750 2 U 8.860e+03 0.00e+00 e 0 302 305 303 0 4223 119.215 1.742 8.750 2 U 7.460e+03 0.00e+00 e 0 302 307 303 0 4224 119.215 2.003 8.750 2 U 1.270e+04 0.00e+00 e 0 302 308 303 0 4225 119.215 1.542 8.750 2 U 1.310e+04 0.00e+00 e 0 302 311 303 0 4226 119.215 1.690 8.750 2 U 5.180e+03 0.00e+00 e 0 302 312 303 0 4227 119.215 1.674 8.750 2 U 3.080e+03 0.00e+00 e 0 302 317 303 0 4229 119.215 8.645 8.750 2 U 2.120e+04 0.00e+00 e 0 302 328 303 0 4230 119.215 8.549 8.750 2 U 1.800e+03 0.00e+00 e 0 302 335 303 0 4231 110.293 8.645 8.645 3 U 1.000e+06 0.00e+00 e 0 327 328 328 0 4232 110.293 3.531 8.645 2 U 1.060e+04 0.00e+00 e 0 327 262 328 0 4233 110.293 4.076 8.645 2 U 5.980e+03 0.00e+00 e 0 327 280 328 0 4234 110.293 8.850 8.645 2 U 4.090e+03 0.00e+00 e 0 327 288 328 0 4236 110.293 8.750 8.645 2 U 3.240e+04 0.00e+00 e 0 327 303 328 0 4237 110.293 4.154 8.645 2 U 1.090e+04 0.00e+00 e 0 327 305 328 0 4238 110.293 1.742 8.645 2 U 4.940e+03 0.00e+00 e 0 327 307 328 0 4239 110.293 2.003 8.645 2 U 7.950e+03 0.00e+00 e 0 327 308 328 0 4240 110.293 1.542 8.645 2 U 3.150e+03 0.00e+00 e 0 327 311 328 0 4241 110.293 1.690 8.645 2 U 4.710e+03 0.00e+00 e 0 327 312 328 0 4242 110.293 1.674 8.645 2 U 4.120e+03 0.00e+00 e 0 327 317 328 0 4244 110.293 3.794 8.645 2 U 2.010e+04 0.00e+00 e 0 327 330 328 0 4245 110.293 3.502 8.645 2 U 3.616e+04 0.00e+00 e 0 327 331 328 0 4246 110.293 8.549 8.645 2 U 2.220e+04 0.00e+00 e 0 327 335 328 0 4248 125.312 8.549 8.549 3 U 1.000e+06 0.00e+00 e 0 334 335 335 0 4249 125.312 4.076 8.549 2 U 1.230e+03 0.00e+00 e 0 334 280 335 0 4250 125.312 3.986 8.549 2 U 8.160e+03 0.00e+00 e 0 334 290 335 0 4251 125.312 8.750 8.549 2 U 4.260e+03 0.00e+00 e 0 334 303 335 0 4253 125.312 8.645 8.549 2 U 2.850e+04 0.00e+00 e 0 334 328 335 0 4254 125.312 3.794 8.549 2 U 2.540e+03 0.00e+00 e 0 334 330 335 0 4255 125.312 3.502 8.549 2 U 5.300e+03 0.00e+00 e 0 334 331 335 0 4256 125.312 4.487 8.549 2 U 1.110e+04 0.00e+00 e 0 334 337 335 0 4257 125.312 1.682 8.549 2 U 5.620e+04 0.00e+00 e 0 334 338 335 0 4258 125.312 7.657 8.549 2 U 1.380e+04 0.00e+00 e 0 334 345 335 0 4260 118.958 7.657 7.657 3 U 1.000e+06 0.00e+00 e 0 344 345 345 0 4261 118.958 3.986 7.657 2 U 5.600e+03 0.00e+00 e 0 344 290 345 0 4262 118.958 4.154 7.657 2 U 1.290e+04 0.00e+00 e 0 344 305 345 0 4263 118.958 8.645 7.657 2 U 2.860e+03 0.00e+00 e 0 344 328 345 0 4264 118.958 3.794 7.657 2 U 1.280e+03 0.00e+00 e 0 344 330 345 0 4265 118.958 3.502 7.657 2 U 8.000e+02 0.00e+00 e 0 344 331 345 0 4266 118.958 8.549 7.657 2 U 3.480e+04 0.00e+00 e 0 344 335 345 0 4267 118.958 4.487 7.657 2 U 1.150e+04 0.00e+00 e 0 344 337 345 0 4268 118.958 1.682 7.657 2 U 6.730e+04 0.00e+00 e 0 344 338 345 0 4269 118.958 4.458 7.657 2 U 2.970e+04 0.00e+00 e 0 344 347 345 0 4270 118.958 2.724 7.657 2 U 9.780e+04 0.00e+00 e 0 344 351 345 0 4271 118.958 8.114 7.657 2 U 3.850e+04 0.00e+00 e 0 344 356 345 0 4272 118.958 8.464 7.657 2 U 2.020e+03 0.00e+00 e 0 344 382 345 0 4273 121.847 8.114 8.114 3 U 1.000e+06 0.00e+00 e 0 355 356 356 0 4274 121.847 4.154 8.114 2 U 2.780e+03 0.00e+00 e 0 355 305 356 0 4275 121.847 3.794 8.114 2 U 1.180e+03 0.00e+00 e 0 355 330 356 0 4277 121.847 8.549 8.114 2 U 9.260e+02 0.00e+00 e 0 355 335 356 0 4278 121.847 4.487 8.114 2 U 5.930e+02 0.00e+00 e 0 355 337 356 0 4279 121.847 7.657 8.114 2 U 2.480e+04 0.00e+00 e 0 355 345 356 0 4280 121.847 4.458 8.114 2 U 2.490e+03 0.00e+00 e 0 355 347 356 0 4281 121.847 2.724 8.114 2 U 2.250e+04 0.00e+00 e 0 355 351 356 0 4282 121.847 3.999 8.114 2 U 1.560e+04 0.00e+00 e 0 355 358 356 0 4283 121.847 1.822 8.114 2 U 1.460e+04 0.00e+00 e 0 355 360 356 0 4284 121.847 1.690 8.114 2 U 2.570e+04 0.00e+00 e 0 355 361 356 0 4285 121.847 1.533 8.114 2 U 1.370e+04 0.00e+00 e 0 355 366 356 0 4287 121.847 8.464 8.114 2 U 4.640e+03 0.00e+00 e 0 355 382 356 0 4289 120.435 8.464 8.464 3 U 1.000e+06 0.00e+00 e 0 381 382 382 0 4290 120.435 3.794 8.464 2 U 1.860e+03 0.00e+00 e 0 381 330 382 0 4292 120.435 4.487 8.464 2 U 1.040e+03 0.00e+00 e 0 381 337 382 0 4293 120.435 7.657 8.464 2 U 2.030e+03 0.00e+00 e 0 381 345 382 0 4294 120.435 4.458 8.464 2 U 1.720e+03 0.00e+00 e 0 381 347 382 0 4295 120.435 8.114 8.464 2 U 1.180e+04 0.00e+00 e 0 381 356 382 0 4296 120.435 3.999 8.464 2 U 4.260e+03 0.00e+00 e 0 381 358 382 0 4297 120.435 1.822 8.464 2 U 9.991e+03 0.00e+00 e 0 381 360 382 0 4298 120.435 1.690 8.464 2 U 1.673e+03 0.00e+00 e 0 381 361 382 0 4299 120.435 1.533 8.464 2 U 3.170e+03 0.00e+00 e 0 381 366 382 0 4301 120.435 3.785 8.464 2 U 3.410e+03 0.00e+00 e 0 381 384 382 0 4302 120.435 2.109 8.464 2 U 1.100e+04 0.00e+00 e 0 381 386 382 0 4303 120.435 2.386 8.464 2 U 1.600e+04 0.00e+00 e 0 381 387 382 0 4304 120.435 6.421 8.464 2 U 6.950e+03 0.00e+00 e 0 381 389 382 0 4306 120.435 7.541 8.464 2 U 6.620e+03 0.00e+00 e 0 381 405 382 0 4308 117.483 7.541 7.541 3 U 1.000e+06 0.00e+00 e 0 404 405 405 0 4309 117.483 4.487 7.541 2 U 1.580e+03 0.00e+00 e 0 404 337 405 0 4310 117.483 4.458 7.541 2 U 2.660e+03 0.00e+00 e 0 404 347 405 0 4312 117.483 3.999 7.541 2 U 1.000e+03 0.00e+00 e 0 404 358 405 0 4313 117.483 8.464 7.541 2 U 4.340e+03 0.00e+00 e 0 404 382 405 0 4314 117.483 3.785 7.541 2 U 4.550e+03 0.00e+00 e 0 404 384 405 0 4315 117.483 2.109 7.541 2 U 5.270e+03 0.00e+00 e 0 404 386 405 0 4316 117.483 2.386 7.541 2 U 4.280e+03 0.00e+00 e 0 404 387 405 0 4317 117.483 6.421 7.541 2 U 3.980e+03 0.00e+00 e 0 404 389 405 0 4319 117.483 3.750 7.541 2 U 1.410e+04 0.00e+00 e 0 404 407 405 0 4320 117.483 2.158 7.541 2 U 1.130e+04 0.00e+00 e 0 404 409 405 0 4321 117.483 2.191 7.541 2 U 1.650e+04 0.00e+00 e 0 404 410 405 0 4322 117.483 2.457 7.541 2 U 1.660e+04 0.00e+00 e 0 404 415 405 0 4323 117.483 7.980 7.541 2 U 1.400e+03 0.00e+00 e 0 404 423 405 0 4324 117.931 7.980 7.980 3 U 1.000e+06 0.00e+00 e 0 422 423 423 0 4325 117.931 4.458 7.980 2 U 0.000e+00 0.00e+00 - 0 422 347 423 0 4326 117.931 3.999 7.980 2 U 3.400e+03 0.00e+00 e 0 422 358 423 0 4327 117.931 8.464 7.980 2 U 2.140e+03 0.00e+00 e 0 422 382 423 0 4328 117.931 3.785 7.980 2 U 1.310e+03 0.00e+00 e 0 422 384 423 0 4329 117.931 7.541 7.980 2 U 7.020e+03 0.00e+00 e 0 422 405 423 0 4330 117.931 3.750 7.980 2 U 2.400e+03 0.00e+00 e 0 422 407 423 0 4331 117.931 2.158 7.980 2 U 5.820e+03 0.00e+00 e 0 422 409 423 0 4332 117.931 2.191 7.980 2 U 2.330e+03 0.00e+00 e 0 422 410 423 0 4333 117.931 2.457 7.980 2 U 0.000e+00 0.00e+00 - 0 422 415 423 0 4334 117.931 4.014 7.980 2 U 4.160e+03 0.00e+00 e 0 422 425 423 0 4335 117.931 2.033 7.980 2 U 1.220e+04 0.00e+00 e 0 422 429 423 0 4336 117.931 2.239 7.980 2 U 0.000e+00 0.00e+00 - 0 422 431 423 0 4337 117.931 2.337 7.980 2 U 1.960e+03 0.00e+00 e 0 422 432 423 0 4338 116.198 8.088 8.088 3 U 1.000e+06 0.00e+00 e 0 591 592 592 0 4339 116.198 3.911 8.088 2 U 0.000e+00 0.00e+00 - 0 591 571 592 0 4340 116.198 2.630 8.088 2 U 1.780e+03 0.00e+00 e 0 591 573 592 0 4341 116.198 3.152 8.088 2 U 7.340e+03 0.00e+00 e 0 591 574 592 0 4345 116.198 3.971 8.088 2 U 0.000e+00 0.00e+00 - 0 591 594 592 0 4346 116.198 3.132 8.088 2 U 8.480e+03 0.00e+00 e 0 591 598 592 0 4347 116.198 7.452 8.088 2 U 7.630e+03 0.00e+00 e 0 591 599 592 0 4350 116.198 9.004 8.088 2 U 5.710e+03 0.00e+00 e 0 591 615 592 0 4351 115.975 9.004 9.004 3 U 1.000e+06 0.00e+00 e 0 614 615 615 0 4352 115.975 8.088 9.004 2 U 5.000e+03 0.00e+00 e 0 614 592 615 0 4353 115.975 3.971 9.004 2 U 2.350e+03 0.00e+00 e 0 614 594 615 0 4354 115.975 3.132 9.004 2 U 7.220e+03 0.00e+00 e 0 614 598 615 0 4355 115.975 7.452 9.004 2 U 2.360e+03 0.00e+00 e 0 614 599 615 0 4358 115.975 4.130 9.004 2 U 1.130e+04 0.00e+00 e 0 614 617 615 0 4359 115.975 2.063 9.004 2 U 1.520e+04 0.00e+00 e 0 614 619 615 0 4360 115.975 1.958 9.004 2 U 1.710e+04 0.00e+00 e 0 614 620 615 0 4361 115.975 2.264 9.004 2 U 3.830e+03 0.00e+00 e 0 614 623 615 0 4362 115.975 2.360 9.004 2 U 8.450e+03 0.00e+00 e 0 614 624 615 0 4363 115.975 7.386 9.004 2 U 5.700e+03 0.00e+00 e 0 614 630 615 0 4364 110.357 7.386 7.386 3 U 1.000e+06 0.00e+00 e 0 629 630 630 0 4365 110.357 9.004 7.386 2 U 5.200e+03 0.00e+00 e 0 629 615 630 0 4366 110.357 4.130 7.386 2 U 6.920e+03 0.00e+00 e 0 629 617 630 0 4367 110.357 2.063 7.386 2 U 2.920e+03 0.00e+00 e 0 629 619 630 0 4368 110.357 1.958 7.386 2 U 2.540e+03 0.00e+00 e 0 629 620 630 0 4369 110.357 2.264 7.386 2 U 1.950e+03 0.00e+00 e 0 629 623 630 0 4370 110.357 2.360 7.386 2 U 7.810e+02 0.00e+00 e 0 629 624 630 0 4371 110.357 4.282 7.386 2 U 7.570e+03 0.00e+00 e 0 629 632 630 0 4372 110.357 4.084 7.386 2 U 1.220e+04 0.00e+00 e 0 629 634 630 0 4373 110.357 0.937 7.386 2 U 2.850e+03 0.00e+00 e 0 629 635 630 0 4374 110.357 7.255 7.386 2 U 1.110e+04 0.00e+00 e 0 629 643 630 0 4375 120.933 7.255 7.255 3 U 1.000e+06 0.00e+00 e 0 642 643 643 0 4376 120.933 7.386 7.255 2 U 1.300e+04 0.00e+00 e 0 642 630 643 0 4377 120.933 4.282 7.255 2 U 1.350e+03 0.00e+00 e 0 642 632 643 0 4378 120.933 4.084 7.255 2 U 5.092e+03 0.00e+00 e 0 642 634 643 0 4379 120.933 0.937 7.255 2 U 6.510e+03 0.00e+00 e 0 642 635 643 0 4380 120.933 2.569 7.255 2 U 5.324e+03 0.00e+00 e 0 642 645 643 0 4381 120.933 1.469 7.255 2 U 9.680e+03 0.00e+00 e 0 642 647 643 0 4382 120.933 0.507 7.255 2 U 5.460e+03 0.00e+00 e 0 642 648 643 0 4383 120.933 0.197 7.255 2 U 3.600e+03 0.00e+00 e 0 642 654 643 0 4384 120.933 1.133 7.255 2 U 1.270e+04 0.00e+00 e 0 642 655 643 0 4385 120.933 0.765 7.255 2 U 8.530e+03 0.00e+00 e 0 642 657 643 0 4389 118.830 8.401 8.401 3 U 1.000e+06 0.00e+00 e 0 663 664 664 0 4390 118.830 7.255 8.401 2 U 4.415e+03 0.00e+00 e 0 663 643 664 0 4391 118.830 2.569 8.401 2 U 7.600e+02 0.00e+00 e 0 663 645 664 0 4392 118.830 1.469 8.401 2 U 3.730e+03 0.00e+00 e 0 663 647 664 0 4393 118.830 0.507 8.401 2 U 4.650e+03 0.00e+00 e 0 663 648 664 0 4395 118.830 1.133 8.401 2 U 9.400e+02 0.00e+00 e 0 663 655 664 0 4396 118.830 0.765 8.401 2 U 3.351e+03 0.00e+00 e 0 663 657 664 0 4397 118.830 3.651 8.401 2 U 6.250e+03 0.00e+00 e 0 663 666 664 0 4398 118.830 1.596 8.401 2 U 1.131e+04 0.00e+00 e 0 663 670 664 0 4399 119.472 6.791 6.791 3 U 1.000e+06 0.00e+00 e 0 704 705 705 0 4400 119.472 4.278 6.791 2 U 5.481e+03 0.00e+00 e 0 704 691 705 0 4401 119.472 1.630 6.791 2 U 1.119e+04 0.00e+00 e 0 704 693 705 0 4402 119.472 2.174 6.791 2 U 4.128e+03 0.00e+00 e 0 704 694 705 0 4403 119.472 1.753 6.791 2 U 7.225e+03 0.00e+00 e 0 704 699 705 0 4404 119.472 2.955 6.791 2 U 4.076e+03 0.00e+00 e 0 704 700 705 0 4405 119.472 3.320 6.791 2 U 1.424e+03 0.00e+00 e 0 704 0 705 0 4406 119.472 4.194 6.791 2 U 3.380e+04 0.00e+00 e 0 704 707 705 0 4407 119.472 1.306 6.791 2 U 7.540e+04 0.00e+00 e 0 704 708 705 0 4408 119.472 8.384 6.791 2 U 3.630e+04 0.00e+00 e 0 704 715 705 0 4409 119.472 8.408 6.791 2 U 1.730e+03 0.00e+00 e 0 704 733 705 0 4410 120.490 8.384 8.384 3 U 1.000e+06 0.00e+00 e 0 714 715 715 0 4411 120.490 6.791 8.384 2 U 3.870e+04 0.00e+00 e 0 714 705 715 0 4412 120.490 4.194 8.384 2 U 5.050e+03 0.00e+00 e 0 714 707 715 0 4413 120.490 1.306 8.384 2 U 3.800e+04 0.00e+00 e 0 714 708 715 0 4414 120.490 3.456 8.384 2 U 1.700e+04 0.00e+00 e 0 714 717 715 0 4415 120.490 2.147 8.384 2 U 4.850e+04 0.00e+00 e 0 714 719 715 0 4416 120.490 0.906 8.384 2 U 4.044e+04 0.00e+00 e 0 714 720 715 0 4417 120.490 0.941 8.384 2 U 2.091e+04 0.00e+00 e 0 714 721 715 0 4418 120.490 8.408 8.384 2 U 2.170e+04 0.00e+00 e 0 714 733 715 0 4419 120.490 8.390 8.384 2 U 1.980e+03 0.00e+00 e 0 714 748 715 0 4420 118.381 8.408 8.408 3 U 1.000e+06 0.00e+00 e 0 732 733 733 0 4421 118.381 6.791 8.408 2 U 3.280e+03 0.00e+00 e 0 732 705 733 0 4422 118.381 4.194 8.408 2 U 3.040e+03 0.00e+00 e 0 732 707 733 0 4423 118.381 8.384 8.408 2 U 2.850e+04 0.00e+00 e 0 732 715 733 0 4424 118.381 3.456 8.408 2 U 6.090e+03 0.00e+00 e 0 732 717 733 0 4425 118.381 2.147 8.408 2 U 2.713e+04 0.00e+00 e 0 732 719 733 0 4426 118.381 0.906 8.408 2 U 1.000e+04 0.00e+00 e 0 732 720 733 0 4427 118.381 0.941 8.408 2 U 2.460e+04 0.00e+00 e 0 732 721 733 0 4428 118.381 4.057 8.408 2 U 3.840e+04 0.00e+00 e 0 732 735 733 0 4429 118.381 2.004 8.408 2 U 2.046e+04 0.00e+00 e 0 732 737 733 0 4430 118.381 2.046 8.408 2 U 4.090e+04 0.00e+00 e 0 732 738 733 0 4431 118.381 2.263 8.408 2 U 2.711e+04 0.00e+00 e 0 732 741 733 0 4432 118.381 2.485 8.408 2 U 3.370e+04 0.00e+00 e 0 732 742 733 0 4433 118.381 8.390 8.408 2 U 2.000e+04 0.00e+00 e 0 732 748 733 0 4434 118.381 7.697 8.408 2 U 2.330e+03 0.00e+00 e 0 732 763 733 0 4435 118.846 8.390 8.390 3 U 1.000e+06 0.00e+00 e 0 747 748 748 0 4436 118.846 4.194 8.390 2 U 6.600e+03 0.00e+00 e 0 747 707 748 0 4438 118.846 3.456 8.390 2 U 1.890e+03 0.00e+00 e 0 747 717 748 0 4439 118.846 8.408 8.390 2 U 1.490e+04 0.00e+00 e 0 747 733 748 0 4440 118.846 4.057 8.390 2 U 9.540e+03 0.00e+00 e 0 747 735 748 0 4441 118.846 2.004 8.390 2 U 1.980e+04 0.00e+00 e 0 747 737 748 0 4442 118.846 2.046 8.390 2 U 1.020e+04 0.00e+00 e 0 747 738 748 0 4443 118.846 2.263 8.390 2 U 5.180e+03 0.00e+00 e 0 747 741 748 0 4444 118.846 2.485 8.390 2 U 4.040e+03 0.00e+00 e 0 747 742 748 0 4445 118.846 4.196 8.390 2 U 2.880e+04 0.00e+00 e 0 747 750 748 0 4446 118.846 2.031 8.390 2 U 4.690e+04 0.00e+00 e 0 747 752 748 0 4447 118.846 2.165 8.390 2 U 3.070e+04 0.00e+00 e 0 747 753 748 0 4448 118.846 2.307 8.390 2 U 1.514e+04 0.00e+00 e 0 747 758 748 0 4449 118.846 7.697 8.390 2 U 2.630e+04 0.00e+00 e 0 747 763 748 0 4450 118.846 8.815 8.390 2 U 2.240e+03 0.00e+00 e 0 747 777 748 0 4451 117.996 7.697 7.697 3 U 1.000e+06 0.00e+00 e 0 762 763 763 0 4452 117.996 4.194 7.697 2 U 4.060e+03 0.00e+00 e 0 762 707 763 0 4453 117.996 3.456 7.697 2 U 5.820e+03 0.00e+00 e 0 762 717 763 0 4454 117.996 8.408 7.697 2 U 1.260e+03 0.00e+00 e 0 762 733 763 0 4455 117.996 4.057 7.697 2 U 1.590e+03 0.00e+00 e 0 762 735 763 0 4456 117.996 8.390 7.697 2 U 3.480e+04 0.00e+00 e 0 762 748 763 0 4457 117.996 4.196 7.697 2 U 7.750e+03 0.00e+00 e 0 762 750 763 0 4458 117.996 2.031 7.697 2 U 3.960e+04 0.00e+00 e 0 762 752 763 0 4459 117.996 2.165 7.697 2 U 2.110e+04 0.00e+00 e 0 762 753 763 0 4460 117.996 2.307 7.697 2 U 1.870e+04 0.00e+00 e 0 762 758 763 0 4461 117.996 4.899 7.697 2 U 1.780e+04 0.00e+00 e 0 762 765 763 0 4462 117.996 2.725 7.697 2 U 4.752e+04 0.00e+00 e 0 762 767 763 0 4463 117.996 2.818 7.697 2 U 1.118e+04 0.00e+00 e 0 762 768 763 0 4464 117.996 7.493 7.697 2 U 1.260e+04 0.00e+00 e 0 762 772 763 0 4465 117.996 6.721 7.697 2 U 6.220e+03 0.00e+00 e 0 762 773 763 0 4466 117.996 8.815 7.697 2 U 3.620e+04 0.00e+00 e 0 762 777 763 0 4467 117.996 7.314 7.697 2 U 1.460e+03 0.00e+00 e 0 762 788 763 0 4468 112.550 7.493 7.493 3 U 1.000e+06 0.00e+00 e 0 771 772 772 0 4471 112.550 2.725 7.493 2 U 7.940e+03 0.00e+00 e 0 771 767 772 0 4473 112.550 6.721 7.493 2 U 3.000e+04 0.00e+00 e 0 771 773 772 0 4474 112.550 6.721 6.721 3 U 1.000e+06 0.00e+00 e 0 771 773 773 0 4475 112.550 7.697 6.721 2 U 5.230e+03 0.00e+00 e 0 771 763 773 0 4477 112.550 2.725 6.721 2 U 1.150e+04 0.00e+00 e 0 771 767 773 0 4479 112.550 7.493 6.721 2 U 4.980e+04 0.00e+00 e 0 771 772 773 0 4480 124.029 8.815 8.815 3 U 1.000e+06 0.00e+00 e 0 776 777 777 0 4481 124.029 3.456 8.815 2 U 3.780e+03 0.00e+00 e 0 776 717 777 0 4482 124.029 4.057 8.815 2 U 1.017e+04 0.00e+00 e 0 776 735 777 0 4483 124.029 8.390 8.815 2 U 3.720e+03 0.00e+00 e 0 776 748 777 0 4484 124.029 4.196 8.815 2 U 2.910e+03 0.00e+00 e 0 776 750 777 0 4485 124.029 7.697 8.815 2 U 3.310e+04 0.00e+00 e 0 776 763 777 0 4486 124.029 4.899 8.815 2 U 4.520e+03 0.00e+00 e 0 776 765 777 0 4487 124.029 2.725 8.815 2 U 1.270e+04 0.00e+00 e 0 776 767 777 0 4488 124.029 2.818 8.815 2 U 3.966e+03 0.00e+00 e 0 776 768 777 0 4491 124.029 4.524 8.815 2 U 2.860e+04 0.00e+00 e 0 776 779 777 0 4492 124.029 2.881 8.815 2 U 4.340e+04 0.00e+00 e 0 776 781 777 0 4493 124.029 2.956 8.815 2 U 5.020e+04 0.00e+00 e 0 776 782 777 0 4494 124.029 7.314 8.815 2 U 3.600e+04 0.00e+00 e 0 776 788 777 0 4495 124.029 7.591 8.815 2 U 2.370e+03 0.00e+00 e 0 776 803 777 0 4496 117.591 7.314 7.314 3 U 1.000e+06 0.00e+00 e 0 787 788 788 0 4497 117.591 4.057 7.314 2 U 4.560e+03 0.00e+00 e 0 787 735 788 0 4498 117.591 4.196 7.314 2 U 6.180e+03 0.00e+00 e 0 787 750 788 0 4499 117.591 7.697 7.314 2 U 6.830e+02 0.00e+00 e 0 787 763 788 0 4500 117.591 4.899 7.314 2 U 1.920e+03 0.00e+00 e 0 787 765 788 0 4501 117.591 8.815 7.314 2 U 1.370e+04 0.00e+00 e 0 787 777 788 0 4502 117.591 4.524 7.314 2 U 3.370e+03 0.00e+00 e 0 787 779 788 0 4503 117.591 2.881 7.314 2 U 7.257e+03 0.00e+00 e 0 787 781 788 0 4504 117.591 2.956 7.314 2 U 1.660e+04 0.00e+00 e 0 787 782 788 0 4505 117.591 4.073 7.314 2 U 1.080e+04 0.00e+00 e 0 787 790 788 0 4506 117.591 2.151 7.314 2 U 5.130e+04 0.00e+00 e 0 787 794 788 0 4507 117.591 2.317 7.314 2 U 1.142e+04 0.00e+00 e 0 787 796 788 0 4508 117.591 2.448 7.314 2 U 2.818e+03 0.00e+00 e 0 787 797 788 0 4509 117.591 7.591 7.314 2 U 1.940e+04 0.00e+00 e 0 787 803 788 0 4510 117.591 8.615 7.314 2 U 1.950e+03 0.00e+00 e 0 787 825 788 0 4511 119.537 7.591 7.591 3 U 1.000e+06 0.00e+00 e 0 802 803 803 0 4512 119.537 4.196 7.591 2 U 6.860e+03 0.00e+00 e 0 802 750 803 0 4513 119.537 4.899 7.591 2 U 2.030e+04 0.00e+00 e 0 802 765 803 0 4514 119.537 8.815 7.591 2 U 1.380e+03 0.00e+00 e 0 802 777 803 0 4515 119.537 4.524 7.591 2 U 8.390e+02 0.00e+00 e 0 802 779 803 0 4516 119.537 7.314 7.591 2 U 3.690e+04 0.00e+00 e 0 802 788 803 0 4517 119.537 4.073 7.591 2 U 1.400e+04 0.00e+00 e 0 802 790 803 0 4518 119.537 2.151 7.591 2 U 4.400e+04 0.00e+00 e 0 802 794 803 0 4519 119.537 2.317 7.591 2 U 4.766e+03 0.00e+00 e 0 802 796 803 0 4520 119.537 2.448 7.591 2 U 1.970e+03 0.00e+00 e 0 802 797 803 0 4521 119.537 4.161 7.591 2 U 3.210e+04 0.00e+00 e 0 802 805 803 0 4522 119.537 2.119 7.591 2 U 4.772e+04 0.00e+00 e 0 802 807 803 0 4523 119.537 1.682 7.591 2 U 3.008e+04 0.00e+00 e 0 802 808 803 0 4524 119.537 1.562 7.591 2 U 1.080e+04 0.00e+00 e 0 802 811 803 0 4525 119.537 0.961 7.591 2 U 1.540e+04 0.00e+00 e 0 802 812 803 0 4526 119.537 1.006 7.591 2 U 1.400e+04 0.00e+00 e 0 802 813 803 0 4527 119.537 8.615 7.591 2 U 2.970e+04 0.00e+00 e 0 802 825 803 0 4528 119.537 8.413 7.591 2 U 6.960e+02 0.00e+00 e 0 802 835 803 0 4529 118.894 8.615 8.615 3 U 1.000e+06 0.00e+00 e 0 824 825 825 0 4530 118.894 4.899 8.615 2 U 9.056e+03 0.00e+00 e 0 824 765 825 0 4531 118.894 4.524 8.615 2 U 5.990e+03 0.00e+00 e 0 824 779 825 0 4532 118.894 7.314 8.615 2 U 3.420e+03 0.00e+00 e 0 824 788 825 0 4533 118.894 4.073 8.615 2 U 2.750e+03 0.00e+00 e 0 824 790 825 0 4534 118.894 7.591 8.615 2 U 2.880e+04 0.00e+00 e 0 824 803 825 0 4535 118.894 4.161 8.615 2 U 6.670e+03 0.00e+00 e 0 824 805 825 0 4536 118.894 2.119 8.615 2 U 2.370e+04 0.00e+00 e 0 824 807 825 0 4537 118.894 1.682 8.615 2 U 2.150e+04 0.00e+00 e 0 824 808 825 0 4538 118.894 1.562 8.615 2 U 1.110e+04 0.00e+00 e 0 824 811 825 0 4539 118.894 0.961 8.615 2 U 6.450e+03 0.00e+00 e 0 824 812 825 0 4540 118.894 1.006 8.615 2 U 9.450e+03 0.00e+00 e 0 824 813 825 0 4541 118.894 4.208 8.615 2 U 3.080e+04 0.00e+00 e 0 824 827 825 0 4542 118.894 1.625 8.615 2 U 6.610e+04 0.00e+00 e 0 824 828 825 0 4543 118.894 8.413 8.615 2 U 4.720e+04 0.00e+00 e 0 824 835 825 0 4545 119.408 8.413 8.413 3 U 1.000e+06 0.00e+00 e 0 834 835 835 0 4546 119.408 4.524 8.413 2 U 2.940e+03 0.00e+00 e 0 834 779 835 0 4547 119.408 4.073 8.413 2 U 3.100e+03 0.00e+00 e 0 834 790 835 0 4548 119.408 7.591 8.413 2 U 2.240e+03 0.00e+00 e 0 834 803 835 0 4549 119.408 4.161 8.413 2 U 3.400e+03 0.00e+00 e 0 834 805 835 0 4550 119.408 8.615 8.413 2 U 4.820e+04 0.00e+00 e 0 834 825 835 0 4551 119.408 4.208 8.413 2 U 1.770e+04 0.00e+00 e 0 834 827 835 0 4552 119.408 1.625 8.413 2 U 1.210e+05 0.00e+00 e 0 834 828 835 0 4553 119.408 4.206 8.413 2 U 1.320e+04 0.00e+00 e 0 834 837 835 0 4554 119.408 1.589 8.413 2 U 9.870e+04 0.00e+00 e 0 834 838 835 0 4555 119.408 8.071 8.413 2 U 2.990e+04 0.00e+00 e 0 834 845 835 0 4556 119.408 9.268 8.413 2 U 5.560e+03 0.00e+00 e 0 834 871 835 0 4557 119.537 8.071 8.071 3 U 1.000e+06 0.00e+00 e 0 844 845 845 0 4558 119.537 4.073 8.071 2 U 1.269e+03 0.00e+00 e 0 844 790 845 0 4559 119.537 4.161 8.071 2 U 9.760e+03 0.00e+00 e 0 844 805 845 0 4560 119.537 8.615 8.071 2 U 1.304e+03 0.00e+00 e 0 844 825 845 0 4562 119.537 8.413 8.071 2 U 3.650e+04 0.00e+00 e 0 844 835 845 0 4563 119.537 4.206 8.071 2 U 1.530e+04 0.00e+00 e 0 844 837 845 0 4564 119.537 1.589 8.071 2 U 6.720e+04 0.00e+00 e 0 844 838 845 0 4565 119.537 4.130 8.071 2 U 2.040e+04 0.00e+00 e 0 844 847 845 0 4566 119.537 2.114 8.071 2 U 3.665e+04 0.00e+00 e 0 844 849 845 0 4567 119.537 1.902 8.071 2 U 4.766e+04 0.00e+00 e 0 844 850 845 0 4568 119.537 1.915 8.071 2 U 1.810e+04 0.00e+00 e 0 844 853 845 0 4569 119.537 1.813 8.071 2 U 2.200e+04 0.00e+00 e 0 844 854 845 0 4570 119.537 3.266 8.071 2 U 1.050e+03 0.00e+00 e 0 844 859 845 0 4571 119.537 9.268 8.071 2 U 5.050e+04 0.00e+00 e 0 844 871 845 0 4572 119.537 8.812 8.071 2 U 4.100e+03 0.00e+00 e 0 844 895 845 0 4573 124.029 9.268 9.268 3 U 1.000e+06 0.00e+00 e 0 870 871 871 0 4574 124.029 4.161 9.268 2 U 7.610e+03 0.00e+00 e 0 870 805 871 0 4575 124.029 4.208 9.268 2 U 0.000e+00 0.00e+00 - 0 870 827 871 0 4576 124.029 8.413 9.268 2 U 3.940e+03 0.00e+00 e 0 870 835 871 0 4577 124.029 4.206 9.268 2 U 0.000e+00 0.00e+00 - 0 870 837 871 0 4578 124.029 8.071 9.268 2 U 4.560e+04 0.00e+00 e 0 870 845 871 0 4579 124.029 4.130 9.268 2 U 4.840e+03 0.00e+00 e 0 870 847 871 0 4580 124.029 2.114 9.268 2 U 1.834e+04 0.00e+00 e 0 870 849 871 0 4581 124.029 1.902 9.268 2 U 7.420e+03 0.00e+00 e 0 870 850 871 0 4582 124.029 1.915 9.268 2 U 6.880e+03 0.00e+00 e 0 870 853 871 0 4583 124.029 1.813 9.268 2 U 5.350e+03 0.00e+00 e 0 870 854 871 0 4584 124.029 3.266 9.268 2 U 2.780e+03 0.00e+00 e 0 870 859 871 0 4585 124.029 3.830 9.268 2 U 4.110e+04 0.00e+00 e 0 870 873 871 0 4586 124.029 3.073 9.268 2 U 3.950e+04 0.00e+00 e 0 870 875 871 0 4587 124.029 3.439 9.268 2 U 3.530e+04 0.00e+00 e 0 870 876 871 0 4594 124.029 8.812 9.268 2 U 3.000e+04 0.00e+00 e 0 870 895 871 0 4595 124.029 7.462 9.268 2 U 2.680e+03 0.00e+00 e 0 870 905 871 0 4596 128.437 6.765 9.822 2 U 2.010e+04 0.00e+00 e 0 883 884 888 0 4597 128.437 9.822 9.822 2 U 1.190e+05 0.00e+00 e 0 883 888 888 0 4598 128.437 6.989 9.822 2 U 5.570e+03 0.00e+00 e 0 883 891 888 0 4599 120.757 8.812 8.812 3 U 1.000e+06 0.00e+00 e 0 894 895 895 0 4600 120.757 4.208 8.812 2 U 3.020e+03 0.00e+00 e 0 894 827 895 0 4601 120.757 4.206 8.812 2 U 2.730e+03 0.00e+00 e 0 894 837 895 0 4602 120.757 8.071 8.812 2 U 2.090e+03 0.00e+00 e 0 894 845 895 0 4604 120.757 9.268 8.812 2 U 1.040e+04 0.00e+00 e 0 894 871 895 0 4605 120.757 3.830 8.812 2 U 3.770e+03 0.00e+00 e 0 894 873 895 0 4606 120.757 3.073 8.812 2 U 7.340e+03 0.00e+00 e 0 894 875 895 0 4607 120.757 3.439 8.812 2 U 9.850e+03 0.00e+00 e 0 894 876 895 0 4614 120.757 3.220 8.812 2 U 1.220e+04 0.00e+00 e 0 894 897 895 0 4615 120.757 1.520 8.812 2 U 3.890e+04 0.00e+00 e 0 894 898 895 0 4616 120.757 7.462 8.812 2 U 1.700e+04 0.00e+00 e 0 894 905 895 0 4617 120.757 7.651 8.812 2 U 1.300e+03 0.00e+00 e 0 894 920 895 0 4618 114.850 7.462 7.462 3 U 1.000e+06 0.00e+00 e 0 904 905 905 0 4619 114.850 4.206 7.462 2 U 3.940e+03 0.00e+00 e 0 904 837 905 0 4620 114.850 4.130 7.462 2 U 1.260e+04 0.00e+00 e 0 904 847 905 0 4621 114.850 9.268 7.462 2 U 2.060e+03 0.00e+00 e 0 904 871 905 0 4622 114.850 3.830 7.462 2 U 3.890e+03 0.00e+00 e 0 904 873 905 0 4623 114.850 8.812 7.462 2 U 3.370e+04 0.00e+00 e 0 904 895 905 0 4624 114.850 3.220 7.462 2 U 7.940e+03 0.00e+00 e 0 904 897 905 0 4625 114.850 1.520 7.462 2 U 6.240e+04 0.00e+00 e 0 904 898 905 0 4626 114.850 3.883 7.462 2 U 3.820e+04 0.00e+00 e 0 904 907 905 0 4627 114.850 2.039 7.462 2 U 3.070e+04 0.00e+00 e 0 904 909 905 0 4628 114.850 2.104 7.462 2 U 4.740e+04 0.00e+00 e 0 904 910 905 0 4629 114.850 2.222 7.462 2 U 1.910e+04 0.00e+00 e 0 904 913 905 0 4630 114.850 2.384 7.462 2 U 2.330e+04 0.00e+00 e 0 904 914 905 0 4631 114.850 7.651 7.462 2 U 2.740e+04 0.00e+00 e 0 904 920 905 0 4632 114.850 8.953 7.462 2 U 2.420e+03 0.00e+00 e 0 904 927 905 0 4633 106.019 7.651 7.651 3 U 1.000e+06 0.00e+00 e 0 919 920 920 0 4634 106.019 4.130 7.651 2 U 1.130e+03 0.00e+00 e 0 919 847 920 0 4635 106.019 3.830 7.651 2 U 4.500e+03 0.00e+00 e 0 919 873 920 0 4637 106.019 3.220 7.651 2 U 1.280e+03 0.00e+00 e 0 919 897 920 0 4638 106.019 7.462 7.651 2 U 2.820e+04 0.00e+00 e 0 919 905 920 0 4639 106.019 3.883 7.651 2 U 1.090e+04 0.00e+00 e 0 919 907 920 0 4640 106.019 2.039 7.651 2 U 1.120e+04 0.00e+00 e 0 919 909 920 0 4641 106.019 2.104 7.651 2 U 1.140e+04 0.00e+00 e 0 919 910 920 0 4642 106.019 2.222 7.651 2 U 2.080e+03 0.00e+00 e 0 919 913 920 0 4643 106.019 2.384 7.651 2 U 3.550e+03 0.00e+00 e 0 919 914 920 0 4644 106.019 3.490 7.651 2 U 4.860e+04 0.00e+00 e 0 919 922 920 0 4645 106.019 3.851 7.651 2 U 5.220e+04 0.00e+00 e 0 919 923 920 0 4646 106.019 8.953 7.651 2 U 2.640e+04 0.00e+00 e 0 919 927 920 0 4648 127.422 8.953 8.953 3 U 1.000e+06 0.00e+00 e 0 926 927 927 0 4649 127.422 3.830 8.953 2 U 1.260e+03 0.00e+00 e 0 926 873 927 0 4650 127.422 3.220 8.953 2 U 3.920e+03 0.00e+00 e 0 926 897 927 0 4653 127.422 7.651 8.953 2 U 1.650e+04 0.00e+00 e 0 926 920 927 0 4654 127.422 3.490 8.953 2 U 6.390e+03 0.00e+00 e 0 926 922 927 0 4655 127.422 3.851 8.953 2 U 2.530e+03 0.00e+00 e 0 926 923 927 0 4656 127.422 3.641 8.953 2 U 1.000e+04 0.00e+00 e 0 926 929 927 0 4657 127.422 0.345 8.953 2 U 3.130e+04 0.00e+00 e 0 926 930 927 0 4658 127.422 8.370 8.953 2 U 8.260e+03 0.00e+00 e 0 926 937 927 0 4660 116.840 8.370 8.370 3 U 1.000e+06 0.00e+00 e 0 936 937 937 0 4661 116.840 3.220 8.370 2 U 6.060e+02 0.00e+00 e 0 936 897 937 0 4662 116.840 3.883 8.370 2 U 3.640e+03 0.00e+00 e 0 936 907 937 0 4663 116.840 7.651 8.370 2 U 2.500e+03 0.00e+00 e 0 936 920 937 0 4666 116.840 8.953 8.370 2 U 3.200e+04 0.00e+00 e 0 936 927 937 0 4667 116.840 3.641 8.370 2 U 5.710e+03 0.00e+00 e 0 936 929 937 0 4668 116.840 0.345 8.370 2 U 3.280e+04 0.00e+00 e 0 936 930 937 0 4669 116.840 3.921 8.370 2 U 2.650e+04 0.00e+00 e 0 936 939 937 0 4670 116.840 1.308 8.370 2 U 2.840e+04 0.00e+00 e 0 936 941 937 0 4671 116.840 1.865 8.370 2 U 1.590e+04 0.00e+00 e 0 936 942 937 0 4672 116.840 1.816 8.370 2 U 3.020e+04 0.00e+00 e 0 936 945 937 0 4673 116.840 0.829 8.370 2 U 1.690e+04 0.00e+00 e 0 936 946 937 0 4674 116.840 0.843 8.370 2 U 1.360e+04 0.00e+00 e 0 936 947 937 0 4675 116.840 7.313 8.370 2 U 4.020e+04 0.00e+00 e 0 936 959 937 0 4676 116.840 7.701 8.370 2 U 3.270e+03 0.00e+00 e 0 936 974 937 0 4677 119.023 7.313 7.313 3 U 1.000e+06 0.00e+00 e 0 958 959 959 0 4678 119.023 3.883 7.313 2 U 1.860e+03 0.00e+00 e 0 958 907 959 0 4679 119.023 3.490 7.313 2 U 2.160e+03 0.00e+00 e 0 958 922 959 0 4680 119.023 3.851 7.313 2 U 2.210e+03 0.00e+00 e 0 958 923 959 0 4681 119.023 8.953 7.313 2 U 2.130e+03 0.00e+00 e 0 958 927 959 0 4682 119.023 3.641 7.313 2 U 1.800e+03 0.00e+00 e 0 958 929 959 0 4683 119.023 8.370 7.313 2 U 4.070e+04 0.00e+00 e 0 958 937 959 0 4684 119.023 3.921 7.313 2 U 9.190e+03 0.00e+00 e 0 958 939 959 0 4685 119.023 1.308 7.313 2 U 2.110e+04 0.00e+00 e 0 958 941 959 0 4686 119.023 1.865 7.313 2 U 2.290e+04 0.00e+00 e 0 958 942 959 0 4687 119.023 1.816 7.313 2 U 7.730e+03 0.00e+00 e 0 958 945 959 0 4688 119.023 0.829 7.313 2 U 6.310e+03 0.00e+00 e 0 958 946 959 0 4689 119.023 0.843 7.313 2 U 7.560e+03 0.00e+00 e 0 958 947 959 0 4690 119.023 4.033 7.313 2 U 5.160e+04 0.00e+00 e 0 958 961 959 0 4691 119.023 2.038 7.313 2 U 4.010e+04 0.00e+00 e 0 958 963 959 0 4692 119.023 2.081 7.313 2 U 6.500e+04 0.00e+00 e 0 958 964 959 0 4693 119.023 2.286 7.313 2 U 2.645e+04 0.00e+00 e 0 958 969 959 0 4694 119.023 7.701 7.313 2 U 4.100e+04 0.00e+00 e 0 958 974 959 0 4695 119.023 7.515 7.313 2 U 3.390e+03 0.00e+00 e 0 958 996 959 0 4696 120.757 7.701 7.701 3 U 1.000e+06 0.00e+00 e 0 973 974 974 0 4698 120.757 3.851 7.701 2 U 8.670e+02 0.00e+00 e 0 973 923 974 0 4699 120.757 3.641 7.701 2 U 7.240e+03 0.00e+00 e 0 973 929 974 0 4702 120.757 7.313 7.701 2 U 2.020e+04 0.00e+00 e 0 973 959 974 0 4703 120.757 4.033 7.701 2 U 1.500e+04 0.00e+00 e 0 973 961 974 0 4704 120.757 2.038 7.701 2 U 1.200e+04 0.00e+00 e 0 973 963 974 0 4705 120.757 2.081 7.701 2 U 1.480e+04 0.00e+00 e 0 973 964 974 0 4706 120.757 2.286 7.701 2 U 4.420e+03 0.00e+00 e 0 973 969 974 0 4707 120.757 4.001 7.701 2 U 1.040e+04 0.00e+00 e 0 973 976 974 0 4708 120.757 2.045 7.701 2 U 0.000e+00 0.00e+00 - 0 973 978 974 0 4709 120.757 1.382 7.701 2 U 2.650e+04 0.00e+00 e 0 973 979 974 0 4710 120.757 1.441 7.701 2 U 9.420e+03 0.00e+00 e 0 973 982 974 0 4711 120.757 0.725 7.701 2 U 4.684e+03 0.00e+00 e 0 973 983 974 0 4712 120.757 0.848 7.701 2 U 1.049e+04 0.00e+00 e 0 973 984 974 0 4713 120.757 7.515 7.701 2 U 2.500e+04 0.00e+00 e 0 973 996 974 0 4715 110.700 7.515 7.515 3 U 1.000e+06 0.00e+00 e 0 995 996 996 0 4716 110.700 3.641 7.515 2 U 2.540e+03 0.00e+00 e 0 995 929 996 0 4717 110.700 3.921 7.515 2 U 5.510e+03 0.00e+00 e 0 995 939 996 0 4720 110.700 7.701 7.515 2 U 1.590e+04 0.00e+00 e 0 995 974 996 0 4721 110.700 4.001 7.515 2 U 9.700e+03 0.00e+00 e 0 995 976 996 0 4722 110.700 2.045 7.515 2 U 1.453e+04 0.00e+00 e 0 995 978 996 0 4723 110.700 1.382 7.515 2 U 1.075e+04 0.00e+00 e 0 995 979 996 0 4724 110.700 1.441 7.515 2 U 4.300e+03 0.00e+00 e 0 995 982 996 0 4725 110.700 0.725 7.515 2 U 1.030e+04 0.00e+00 e 0 995 983 996 0 4726 110.700 0.848 7.515 2 U 1.070e+04 0.00e+00 e 0 995 984 996 0 4727 110.700 4.035 7.515 2 U 2.810e+04 0.00e+00 e 0 995 998 996 0 4728 110.700 1.985 7.515 2 U 1.234e+04 0.00e+00 e 0 995 1000 996 0 4729 110.700 0.840 7.515 2 U 2.080e+04 0.00e+00 e 0 995 1001 996 0 4730 110.700 1.334 7.515 2 U 3.200e+04 0.00e+00 e 0 995 1009 996 0 4731 110.700 0.700 7.515 2 U 9.770e+03 0.00e+00 e 0 995 1010 996 0 4732 110.700 7.517 7.515 2 U 1.000e+04 0.00e+00 e 0 995 1017 996 0 4734 121.077 7.517 7.517 3 U 1.000e+06 0.00e+00 e 0 1016 1017 1017 0 4735 121.077 3.921 7.517 2 U 2.180e+03 0.00e+00 e 0 1016 939 1017 0 4736 121.077 4.033 7.517 2 U 1.020e+04 0.00e+00 e 0 1016 961 1017 0 4737 121.077 7.701 7.517 2 U 4.380e+03 0.00e+00 e 0 1016 974 1017 0 4738 121.077 4.001 7.517 2 U 3.200e+03 0.00e+00 e 0 1016 976 1017 0 4739 121.077 7.515 7.517 2 U 2.570e+04 0.00e+00 e 0 1016 996 1017 0 4740 121.077 4.035 7.517 2 U 6.100e+03 0.00e+00 e 0 1016 998 1017 0 4741 121.077 1.985 7.517 2 U 5.300e+03 0.00e+00 e 0 1016 1000 1017 0 4742 121.077 0.840 7.517 2 U 1.168e+04 0.00e+00 e 0 1016 1001 1017 0 4743 121.077 1.334 7.517 2 U 2.520e+04 0.00e+00 e 0 1016 1009 1017 0 4744 121.077 0.700 7.517 2 U 5.527e+03 0.00e+00 e 0 1016 1010 1017 0 4745 121.077 4.071 7.517 2 U 5.300e+04 0.00e+00 e 0 1016 1019 1017 0 4746 121.077 1.947 7.517 2 U 1.060e+05 0.00e+00 e 0 1016 1023 1017 0 4747 121.077 1.339 7.517 2 U 8.700e+03 0.00e+00 e 0 1016 1025 1017 0 4748 121.077 1.594 7.517 2 U 9.000e+03 0.00e+00 e 0 1016 1026 1017 0 4749 121.077 1.639 7.517 2 U 1.000e+03 0.00e+00 e 0 1016 1029 1017 0 4750 121.077 1.660 7.517 2 U 1.180e+03 0.00e+00 e 0 1016 1030 1017 0 4752 121.077 7.633 7.517 2 U 2.370e+04 0.00e+00 e 0 1016 1042 1017 0 4753 115.234 7.633 7.633 3 U 1.000e+06 0.00e+00 e 0 1041 1042 1042 0 4754 115.234 4.033 7.633 2 U 3.630e+03 0.00e+00 e 0 1041 961 1042 0 4755 115.234 4.001 7.633 2 U 6.640e+03 0.00e+00 e 0 1041 976 1042 0 4758 115.234 7.517 7.633 2 U 4.700e+04 0.00e+00 e 0 1041 1017 1042 0 4759 115.234 4.071 7.633 2 U 1.660e+04 0.00e+00 e 0 1041 1019 1042 0 4760 115.234 1.947 7.633 2 U 2.640e+04 0.00e+00 e 0 1041 1023 1042 0 4761 115.234 1.339 7.633 2 U 6.530e+03 0.00e+00 e 0 1041 1025 1042 0 4762 115.234 1.594 7.633 2 U 5.580e+03 0.00e+00 e 0 1041 1026 1042 0 4763 115.234 1.639 7.633 2 U 2.270e+03 0.00e+00 e 0 1041 1029 1042 0 4764 115.234 1.660 7.633 2 U 5.390e+03 0.00e+00 e 0 1041 1030 1042 0 4766 115.234 3.951 7.633 2 U 3.690e+04 0.00e+00 e 0 1041 1044 1042 0 4767 115.234 2.155 7.633 2 U 3.380e+04 0.00e+00 e 0 1041 1046 1042 0 4768 115.234 1.024 7.633 2 U 4.716e+04 0.00e+00 e 0 1041 1047 1042 0 4769 115.234 0.940 7.633 2 U 1.921e+04 0.00e+00 e 0 1041 1048 1042 0 4770 115.234 7.984 7.633 2 U 2.420e+04 0.00e+00 e 0 1041 1060 1042 0 4771 118.317 7.984 7.984 3 U 1.000e+06 0.00e+00 e 0 1059 1060 1060 0 4772 118.317 7.633 7.984 2 U 3.020e+04 0.00e+00 e 0 1059 1042 1060 0 4773 118.317 3.951 7.984 2 U 1.340e+04 0.00e+00 e 0 1059 1044 1060 0 4774 118.317 2.155 7.984 2 U 1.870e+04 0.00e+00 e 0 1059 1046 1060 0 4775 118.317 1.024 7.984 2 U 1.122e+04 0.00e+00 e 0 1059 1047 1060 0 4776 118.317 0.940 7.984 2 U 5.557e+03 0.00e+00 e 0 1059 1048 1060 0 4777 118.317 4.392 7.984 2 U 1.800e+04 0.00e+00 e 0 1059 1062 1060 0 4778 118.317 1.849 7.984 2 U 9.590e+03 0.00e+00 e 0 1059 1066 1060 0 4779 118.317 1.572 7.984 2 U 1.410e+04 0.00e+00 e 0 1059 1070 1060 0 4780 118.317 3.115 7.984 2 U 3.840e+03 0.00e+00 e 0 1059 1074 1060 0 4781 115.403 6.955 6.955 3 U 1.000e+06 0.00e+00 e 0 1175 1176 1176 0 4782 115.403 4.758 6.955 2 U 9.500e+03 0.00e+00 e 0 1175 1155 1176 0 4783 115.403 2.808 6.955 2 U 3.670e+03 0.00e+00 e 0 1175 1157 1176 0 4784 115.403 3.441 6.955 2 U 2.290e+03 0.00e+00 e 0 1175 1158 1176 0 4785 115.403 7.127 6.955 2 U 6.760e+03 0.00e+00 e 0 1175 1160 1176 0 4787 115.403 4.722 6.955 2 U 1.250e+04 0.00e+00 e 0 1175 1178 1176 0 4788 115.403 1.824 6.955 2 U 2.144e+04 0.00e+00 e 0 1175 1180 1176 0 4789 115.403 0.785 6.955 2 U 3.530e+04 0.00e+00 e 0 1175 1181 1176 0 4790 115.403 0.960 6.955 2 U 2.930e+04 0.00e+00 e 0 1175 1182 1176 0 4791 115.403 7.867 6.955 2 U 3.370e+03 0.00e+00 e 0 1175 1194 1176 0 4792 120.599 7.867 7.867 3 U 1.000e+06 0.00e+00 e 0 1193 1194 1194 0 4793 120.599 6.955 7.867 2 U 1.690e+03 0.00e+00 e 0 1193 1176 1194 0 4794 120.599 4.722 7.867 2 U 2.760e+04 0.00e+00 e 0 1193 1178 1194 0 4795 120.599 1.824 7.867 2 U 6.910e+03 0.00e+00 e 0 1193 1180 1194 0 4796 120.599 0.785 7.867 2 U 1.600e+04 0.00e+00 e 0 1193 1181 1194 0 4797 120.599 0.960 7.867 2 U 2.140e+04 0.00e+00 e 0 1193 1182 1194 0 4798 120.599 4.909 7.867 2 U 9.830e+03 0.00e+00 e 0 1193 1196 1194 0 4799 120.599 3.038 7.867 2 U 9.390e+03 0.00e+00 e 0 1193 1198 1194 0 4800 120.599 3.283 7.867 2 U 9.980e+03 0.00e+00 e 0 1193 1199 1194 0 4801 120.599 7.006 7.867 2 U 3.970e+03 0.00e+00 e 0 1193 1207 1194 0 4819 117.256 9.680 9.680 3 U 1.000e+06 0.00e+00 e 0 1235 1236 1236 0 4820 117.256 8.402 9.680 2 U 7.110e+02 0.00e+00 e 0 1235 1211 1236 0 4822 117.256 1.775 9.680 2 U 8.830e+03 0.00e+00 e 0 1235 1215 1236 0 4823 117.256 1.853 9.680 2 U 4.310e+03 0.00e+00 e 0 1235 1216 1236 0 4824 117.256 1.301 9.680 2 U 2.510e+03 0.00e+00 e 0 1235 1221 1236 0 4827 117.256 4.172 9.680 2 U 1.560e+04 0.00e+00 e 0 1235 1238 1236 0 4828 117.256 2.072 9.680 2 U 1.360e+04 0.00e+00 e 0 1235 1240 1236 0 4829 117.256 2.124 9.680 2 U 8.280e+03 0.00e+00 e 0 1235 1241 1236 0 4830 117.256 2.367 9.680 2 U 4.800e+03 0.00e+00 e 0 1235 1244 1236 0 4831 117.256 2.479 9.680 2 U 4.620e+03 0.00e+00 e 0 1235 1245 1236 0 4832 117.256 7.356 9.680 2 U 5.750e+03 0.00e+00 e 0 1235 1251 1236 0 4834 117.676 7.356 7.356 3 U 1.000e+06 0.00e+00 e 0 1250 1251 1251 0 4837 117.676 9.680 7.356 2 U 4.670e+03 0.00e+00 e 0 1250 1236 1251 0 4838 117.676 4.172 7.356 2 U 1.040e+04 0.00e+00 e 0 1250 1238 1251 0 4839 117.676 2.072 7.356 2 U 9.260e+03 0.00e+00 e 0 1250 1240 1251 0 4840 117.676 2.124 7.356 2 U 1.120e+04 0.00e+00 e 0 1250 1241 1251 0 4841 117.676 2.367 7.356 2 U 3.920e+03 0.00e+00 e 0 1250 1244 1251 0 4842 117.676 2.479 7.356 2 U 2.750e+03 0.00e+00 e 0 1250 1245 1251 0 4843 117.676 4.180 7.356 2 U 1.270e+04 0.00e+00 e 0 1250 1253 1251 0 4844 117.676 2.310 7.356 2 U 1.650e+04 0.00e+00 e 0 1250 1255 1251 0 4845 117.676 2.197 7.356 2 U 1.890e+04 0.00e+00 e 0 1250 1256 1251 0 4846 117.676 2.449 7.356 2 U 5.280e+03 0.00e+00 e 0 1250 1259 1251 0 4847 117.676 2.311 7.356 2 U 1.420e+04 0.00e+00 e 0 1250 1260 1251 0 4848 117.676 7.574 7.356 2 U 4.980e+02 0.00e+00 e 0 1250 1264 1251 0 4850 117.676 7.530 7.356 2 U 2.080e+04 0.00e+00 e 0 1250 1269 1251 0 4852 110.029 7.574 7.574 3 U 1.000e+06 0.00e+00 e 0 1263 1264 1264 0 4857 110.029 2.449 7.574 2 U 3.100e+03 0.00e+00 e 0 1263 1259 1264 0 4858 110.029 2.311 7.574 2 U 6.190e+03 0.00e+00 e 0 1263 1260 1264 0 4859 110.029 6.939 7.574 2 U 2.690e+04 0.00e+00 e 0 1263 1265 1264 0 4860 110.029 6.939 6.939 3 U 1.000e+06 0.00e+00 e 0 1263 1265 1265 0 4865 110.029 2.449 6.939 2 U 4.580e+03 0.00e+00 e 0 1263 1259 1265 0 4866 110.029 2.311 6.939 2 U 4.520e+03 0.00e+00 e 0 1263 1260 1265 0 4867 110.029 7.574 6.939 2 U 3.100e+04 0.00e+00 e 0 1263 1264 1265 0 4868 120.627 7.530 7.530 3 U 1.000e+06 0.00e+00 e 0 1268 1269 1269 0 4869 120.627 3.677 7.530 2 U 6.110e+03 0.00e+00 e 0 1268 1213 1269 0 4872 120.627 7.356 7.530 2 U 2.130e+04 0.00e+00 e 0 1268 1251 1269 0 4873 120.627 4.180 7.530 2 U 4.200e+03 0.00e+00 e 0 1268 1253 1269 0 4874 120.627 2.310 7.530 2 U 8.850e+03 0.00e+00 e 0 1268 1255 1269 0 4875 120.627 2.197 7.530 2 U 1.100e+04 0.00e+00 e 0 1268 1256 1269 0 4876 120.627 2.449 7.530 2 U 3.340e+03 0.00e+00 e 0 1268 1259 1269 0 4877 120.627 2.311 7.530 2 U 5.260e+03 0.00e+00 e 0 1268 1260 1269 0 4880 120.627 3.775 7.530 2 U 1.320e+04 0.00e+00 e 0 1268 1271 1269 0 4881 120.627 2.112 7.530 2 U 5.250e+04 0.00e+00 e 0 1268 1273 1269 0 4882 120.627 0.756 7.530 2 U 1.730e+04 0.00e+00 e 0 1268 1274 1269 0 4883 120.627 1.334 7.530 2 U 2.000e+04 0.00e+00 e 0 1268 1280 1269 0 4884 120.627 1.099 7.530 2 U 1.720e+04 0.00e+00 e 0 1268 1281 1269 0 4885 120.627 0.562 7.530 2 U 8.874e+03 0.00e+00 e 0 1268 1283 1269 0 4886 120.627 8.340 7.530 2 U 2.440e+04 0.00e+00 e 0 1268 1290 1269 0 4888 117.546 8.340 8.340 3 U 1.000e+06 0.00e+00 e 0 1289 1290 1290 0 4889 117.546 3.677 8.340 2 U 1.170e+03 0.00e+00 e 0 1289 1213 1290 0 4890 117.546 4.172 8.340 2 U 3.700e+03 0.00e+00 e 0 1289 1238 1290 0 4892 117.546 4.180 8.340 2 U 5.230e+03 0.00e+00 e 0 1289 1253 1290 0 4893 117.546 7.530 8.340 2 U 3.460e+04 0.00e+00 e 0 1289 1269 1290 0 4894 117.546 3.775 8.340 2 U 5.620e+03 0.00e+00 e 0 1289 1271 1290 0 4895 117.546 2.112 8.340 2 U 1.520e+04 0.00e+00 e 0 1289 1273 1290 0 4896 117.546 0.756 8.340 2 U 1.036e+04 0.00e+00 e 0 1289 1274 1290 0 4897 117.546 1.334 8.340 2 U 8.270e+03 0.00e+00 e 0 1289 1280 1290 0 4898 117.546 1.099 8.340 2 U 1.730e+03 0.00e+00 e 0 1289 1281 1290 0 4899 117.546 0.562 8.340 2 U 2.948e+03 0.00e+00 e 0 1289 1283 1290 0 4900 117.546 3.966 8.340 2 U 2.280e+04 0.00e+00 e 0 1289 1292 1290 0 4901 117.546 2.082 8.340 2 U 5.070e+04 0.00e+00 e 0 1289 1296 1290 0 4902 117.546 2.181 8.340 2 U 2.290e+04 0.00e+00 e 0 1289 1298 1290 0 4903 117.546 2.508 8.340 2 U 2.830e+04 0.00e+00 e 0 1289 1299 1290 0 4904 117.546 7.393 8.340 2 U 3.030e+04 0.00e+00 e 0 1289 1305 1290 0 4905 117.546 7.620 8.340 2 U 1.270e+03 0.00e+00 e 0 1289 1315 1290 0 4906 118.573 7.393 7.393 3 U 1.000e+06 0.00e+00 e 0 1304 1305 1305 0 4907 118.573 4.172 7.393 2 U 3.250e+03 0.00e+00 e 0 1304 1238 1305 0 4908 118.573 4.180 7.393 2 U 8.190e+03 0.00e+00 e 0 1304 1253 1305 0 4909 118.573 7.530 7.393 2 U 1.790e+03 0.00e+00 e 0 1304 1269 1305 0 4910 118.573 3.775 7.393 2 U 2.440e+03 0.00e+00 e 0 1304 1271 1305 0 4911 118.573 8.340 7.393 2 U 3.260e+04 0.00e+00 e 0 1304 1290 1305 0 4912 118.573 3.966 7.393 2 U 9.200e+03 0.00e+00 e 0 1304 1292 1305 0 4913 118.573 2.082 7.393 2 U 2.840e+04 0.00e+00 e 0 1304 1296 1305 0 4914 118.573 2.181 7.393 2 U 1.330e+04 0.00e+00 e 0 1304 1298 1305 0 4915 118.573 2.508 7.393 2 U 7.790e+03 0.00e+00 e 0 1304 1299 1305 0 4916 118.573 4.370 7.393 2 U 4.610e+04 0.00e+00 e 0 1304 1307 1305 0 4917 118.573 1.518 7.393 2 U 1.210e+05 0.00e+00 e 0 1304 1308 1305 0 4918 118.573 7.620 7.393 2 U 4.650e+04 0.00e+00 e 0 1304 1315 1305 0 4919 118.573 8.566 7.393 2 U 3.880e+03 0.00e+00 e 0 1304 1333 1305 0 4920 116.776 7.620 7.620 3 U 1.000e+06 0.00e+00 e 0 1314 1315 1315 0 4921 116.776 4.180 7.620 2 U 2.200e+03 0.00e+00 e 0 1314 1253 1315 0 4922 116.776 3.775 7.620 2 U 1.650e+04 0.00e+00 e 0 1314 1271 1315 0 4923 116.776 8.340 7.620 2 U 3.940e+03 0.00e+00 e 0 1314 1290 1315 0 4924 116.776 3.966 7.620 2 U 2.140e+03 0.00e+00 e 0 1314 1292 1315 0 4925 116.776 7.393 7.620 2 U 4.420e+04 0.00e+00 e 0 1314 1305 1315 0 4926 116.776 4.370 7.620 2 U 9.750e+03 0.00e+00 e 0 1314 1307 1315 0 4927 116.776 1.518 7.620 2 U 3.040e+04 0.00e+00 e 0 1314 1308 1315 0 4928 116.776 3.717 7.620 2 U 3.090e+04 0.00e+00 e 0 1314 1317 1315 0 4929 116.776 2.432 7.620 2 U 6.600e+04 0.00e+00 e 0 1314 1319 1315 0 4930 116.776 0.558 7.620 2 U 1.710e+04 0.00e+00 e 0 1314 1320 1315 0 4931 116.776 1.337 7.620 2 U 7.140e+04 0.00e+00 e 0 1314 1321 1315 0 4932 116.776 8.566 7.620 2 U 3.440e+04 0.00e+00 e 0 1314 1333 1315 0 4933 116.776 8.348 7.620 2 U 2.940e+03 0.00e+00 e 0 1314 1358 1315 0 4934 119.537 8.566 8.566 3 U 1.000e+06 0.00e+00 e 0 1332 1333 1333 0 4935 119.537 3.775 8.566 2 U 3.000e+03 0.00e+00 e 0 1332 1271 1333 0 4936 119.537 3.966 8.566 2 U 3.420e+03 0.00e+00 e 0 1332 1292 1333 0 4937 119.537 7.393 8.566 2 U 3.430e+03 0.00e+00 e 0 1332 1305 1333 0 4938 119.537 4.370 8.566 2 U 4.130e+02 0.00e+00 e 0 1332 1307 1333 0 4939 119.537 7.620 8.566 2 U 2.720e+04 0.00e+00 e 0 1332 1315 1333 0 4940 119.537 3.717 8.566 2 U 5.040e+03 0.00e+00 e 0 1332 1317 1333 0 4941 119.537 2.432 8.566 2 U 3.470e+04 0.00e+00 e 0 1332 1319 1333 0 4942 119.537 0.558 8.566 2 U 1.600e+04 0.00e+00 e 0 1332 1320 1333 0 4943 119.537 1.337 8.566 2 U 9.860e+03 0.00e+00 e 0 1332 1321 1333 0 4944 119.537 3.781 8.566 2 U 2.270e+04 0.00e+00 e 0 1332 1335 1333 0 4945 119.537 1.920 8.566 2 U 4.810e+04 0.00e+00 e 0 1332 1337 1333 0 4946 119.537 2.054 8.566 2 U 5.260e+04 0.00e+00 e 0 1332 1338 1333 0 4947 119.537 1.482 8.566 2 U 7.260e+03 0.00e+00 e 0 1332 1341 1333 0 4948 119.537 1.525 8.566 2 U 1.490e+04 0.00e+00 e 0 1332 1342 1333 0 4949 119.537 1.682 8.566 2 U 2.760e+03 0.00e+00 e 0 1332 1345 1333 0 4950 119.537 1.723 8.566 2 U 3.780e+03 0.00e+00 e 0 1332 1346 1333 0 4952 119.537 8.348 8.566 2 U 3.630e+04 0.00e+00 e 0 1332 1358 1333 0 4953 119.537 7.686 8.566 2 U 2.030e+03 0.00e+00 e 0 1332 1369 1333 0 4954 115.492 8.348 8.348 3 U 1.000e+06 0.00e+00 e 0 1357 1358 1358 0 4956 115.492 4.370 8.348 2 U 6.130e+03 0.00e+00 e 0 1357 1307 1358 0 4957 115.492 7.620 8.348 2 U 1.800e+03 0.00e+00 e 0 1357 1315 1358 0 4959 115.492 8.566 8.348 2 U 2.990e+04 0.00e+00 e 0 1357 1333 1358 0 4960 115.492 3.781 8.348 2 U 7.530e+03 0.00e+00 e 0 1357 1335 1358 0 4961 115.492 1.920 8.348 2 U 1.173e+04 0.00e+00 e 0 1357 1337 1358 0 4962 115.492 2.054 8.348 2 U 3.066e+04 0.00e+00 e 0 1357 1338 1358 0 4963 115.492 1.482 8.348 2 U 1.880e+03 0.00e+00 e 0 1357 1341 1358 0 4964 115.492 1.525 8.348 2 U 7.250e+03 0.00e+00 e 0 1357 1342 1358 0 4965 115.492 1.682 8.348 2 U 2.330e+03 0.00e+00 e 0 1357 1345 1358 0 4966 115.492 1.723 8.348 2 U 2.830e+03 0.00e+00 e 0 1357 1346 1358 0 4968 115.492 4.486 8.348 2 U 5.140e+04 0.00e+00 e 0 1357 1360 1358 0 4969 115.492 2.630 8.348 2 U 3.940e+04 0.00e+00 e 0 1357 1362 1358 0 4970 115.492 2.664 8.348 2 U 4.460e+04 0.00e+00 e 0 1357 1363 1358 0 4971 115.492 7.686 8.348 2 U 4.220e+04 0.00e+00 e 0 1357 1369 1358 0 4972 115.492 9.623 8.348 2 U 9.840e+02 0.00e+00 e 0 1357 1383 1358 0 4973 118.252 7.686 7.686 3 U 1.000e+06 0.00e+00 e 0 1368 1369 1369 0 4975 118.252 3.717 7.686 2 U 4.640e+03 0.00e+00 e 0 1368 1317 1369 0 4976 118.252 8.566 7.686 2 U 2.280e+03 0.00e+00 e 0 1368 1333 1369 0 4978 118.252 8.348 7.686 2 U 1.170e+04 0.00e+00 e 0 1368 1358 1369 0 4979 118.252 4.486 7.686 2 U 3.420e+03 0.00e+00 e 0 1368 1360 1369 0 4980 118.252 2.630 7.686 2 U 6.300e+03 0.00e+00 e 0 1368 1362 1369 0 4981 118.252 2.664 7.686 2 U 1.020e+04 0.00e+00 e 0 1368 1363 1369 0 4982 118.252 4.541 7.686 2 U 1.270e+04 0.00e+00 e 0 1368 1371 1369 0 4983 118.252 2.802 7.686 2 U 1.760e+04 0.00e+00 e 0 1368 1373 1369 0 4984 118.252 2.461 7.686 2 U 1.400e+04 0.00e+00 e 0 1368 1374 1369 0 4987 118.252 9.623 7.686 2 U 1.800e+04 0.00e+00 e 0 1368 1383 1369 0 4988 118.252 8.206 7.686 2 U 2.300e+03 0.00e+00 e 0 1368 1406 1369 0 4989 111.913 8.019 8.019 3 U 1.000e+06 0.00e+00 e 0 1377 1378 1378 0 4991 111.913 4.541 8.019 2 U 1.330e+03 0.00e+00 e 0 1377 1371 1378 0 4992 111.913 2.802 8.019 2 U 1.660e+04 0.00e+00 e 0 1377 1373 1378 0 4993 111.913 2.461 8.019 2 U 1.030e+04 0.00e+00 e 0 1377 1374 1378 0 4994 111.913 6.978 8.019 2 U 6.420e+04 0.00e+00 e 0 1377 1379 1378 0 4995 111.913 6.978 6.978 3 U 1.000e+06 0.00e+00 e 0 1377 1379 1379 0 4997 111.913 4.541 6.978 2 U 4.810e+02 0.00e+00 e 0 1377 1371 1379 0 4998 111.913 2.802 6.978 2 U 2.270e+03 0.00e+00 e 0 1377 1373 1379 0 4999 111.913 2.461 6.978 2 U 1.760e+03 0.00e+00 e 0 1377 1374 1379 0 5000 111.913 8.019 6.978 2 U 1.000e+05 0.00e+00 e 0 1377 1378 1379 0 5001 121.437 9.623 9.623 3 U 1.000e+06 0.00e+00 e 0 1382 1383 1383 0 5002 121.437 3.717 9.623 2 U 3.410e+03 0.00e+00 e 0 1382 1317 1383 0 5003 121.437 3.781 9.623 2 U 4.300e+03 0.00e+00 e 0 1382 1335 1383 0 5004 121.437 8.348 9.623 2 U 2.540e+03 0.00e+00 e 0 1382 1358 1383 0 5006 121.437 7.686 9.623 2 U 2.890e+04 0.00e+00 e 0 1382 1369 1383 0 5007 121.437 4.541 9.623 2 U 2.970e+03 0.00e+00 e 0 1382 1371 1383 0 5008 121.437 2.802 9.623 2 U 7.050e+03 0.00e+00 e 0 1382 1373 1383 0 5009 121.437 2.461 9.623 2 U 2.900e+03 0.00e+00 e 0 1382 1374 1383 0 5012 121.437 4.057 9.623 2 U 1.650e+04 0.00e+00 e 0 1382 1385 1383 0 5013 121.437 3.116 9.623 2 U 2.510e+04 0.00e+00 e 0 1382 1387 1383 0 5014 121.437 2.970 9.623 2 U 3.690e+04 0.00e+00 e 0 1382 1388 1383 0 5015 121.437 6.920 9.623 2 U 7.520e+03 0.00e+00 e 0 1382 1390 1383 0 5018 121.437 8.206 9.623 2 U 2.230e+04 0.00e+00 e 0 1382 1406 1383 0 5019 121.437 7.659 9.623 2 U 2.790e+03 0.00e+00 e 0 1382 1428 1383 0 5020 117.418 8.206 8.206 3 U 1.000e+06 0.00e+00 e 0 1405 1406 1406 0 5021 117.418 3.781 8.206 2 U 1.358e+03 0.00e+00 e 0 1405 1335 1406 0 5022 117.418 4.486 8.206 2 U 2.390e+03 0.00e+00 e 0 1405 1360 1406 0 5023 117.418 7.686 8.206 2 U 2.940e+03 0.00e+00 e 0 1405 1369 1406 0 5024 117.418 4.541 8.206 2 U 1.980e+03 0.00e+00 e 0 1405 1371 1406 0 5025 117.418 9.623 8.206 2 U 2.660e+04 0.00e+00 e 0 1405 1383 1406 0 5026 117.418 4.057 8.206 2 U 4.900e+03 0.00e+00 e 0 1405 1385 1406 0 5027 117.418 3.116 8.206 2 U 1.690e+04 0.00e+00 e 0 1405 1387 1406 0 5028 117.418 2.970 8.206 2 U 5.340e+03 0.00e+00 e 0 1405 1388 1406 0 5029 117.418 6.920 8.206 2 U 5.980e+03 0.00e+00 e 0 1405 1390 1406 0 5032 117.418 3.894 8.206 2 U 2.380e+04 0.00e+00 e 0 1405 1408 1406 0 5033 117.418 1.582 8.206 2 U 1.497e+04 0.00e+00 e 0 1405 1410 1406 0 5034 117.418 1.947 8.206 2 U 4.064e+04 0.00e+00 e 0 1405 1411 1406 0 5035 117.418 2.062 8.206 2 U 2.930e+04 0.00e+00 e 0 1405 1414 1406 0 5036 117.418 0.878 8.206 2 U 1.510e+04 0.00e+00 e 0 1405 1415 1406 0 5037 117.418 1.028 8.206 2 U 9.730e+03 0.00e+00 e 0 1405 1416 1406 0 5038 117.418 7.659 8.206 2 U 3.650e+04 0.00e+00 e 0 1405 1428 1406 0 5039 117.418 8.104 8.206 2 U 3.240e+03 0.00e+00 e 0 1405 1443 1406 0 5040 121.526 7.659 7.659 3 U 1.000e+06 0.00e+00 e 0 1427 1428 1428 0 5041 121.526 4.486 7.659 2 U 3.230e+03 0.00e+00 e 0 1427 1360 1428 0 5042 121.526 4.541 7.659 2 U 8.920e+03 0.00e+00 e 0 1427 1371 1428 0 5043 121.526 9.623 7.659 2 U 3.340e+03 0.00e+00 e 0 1427 1383 1428 0 5045 121.526 8.206 7.659 2 U 3.940e+04 0.00e+00 e 0 1427 1406 1428 0 5046 121.526 3.894 7.659 2 U 7.290e+03 0.00e+00 e 0 1427 1408 1428 0 5047 121.526 1.582 7.659 2 U 1.520e+04 0.00e+00 e 0 1427 1410 1428 0 5048 121.526 1.947 7.659 2 U 1.990e+04 0.00e+00 e 0 1427 1411 1428 0 5049 121.526 2.062 7.659 2 U 9.680e+03 0.00e+00 e 0 1427 1414 1428 0 5050 121.526 0.878 7.659 2 U 2.330e+03 0.00e+00 e 0 1427 1415 1428 0 5051 121.526 1.028 7.659 2 U 4.000e+03 0.00e+00 e 0 1427 1416 1428 0 5052 121.526 4.149 7.659 2 U 2.770e+04 0.00e+00 e 0 1427 1430 1428 0 5053 121.526 2.089 7.659 2 U 4.490e+04 0.00e+00 e 0 1427 1434 1428 0 5054 121.526 2.298 7.659 2 U 9.690e+03 0.00e+00 e 0 1427 1438 1428 0 5055 121.526 8.104 7.659 2 U 3.160e+04 0.00e+00 e 0 1427 1443 1428 0 5057 121.654 8.104 8.104 3 U 1.000e+06 0.00e+00 e 0 1442 1443 1443 0 5058 121.654 4.541 8.104 2 U 0.000e+00 0.00e+00 - 0 1442 1371 1443 0 5059 121.654 4.057 8.104 2 U 6.260e+03 0.00e+00 e 0 1442 1385 1443 0 5061 121.654 3.894 8.104 2 U 2.110e+03 0.00e+00 e 0 1442 1408 1443 0 5062 121.654 7.659 8.104 2 U 3.700e+04 0.00e+00 e 0 1442 1428 1443 0 5063 121.654 4.149 8.104 2 U 6.290e+03 0.00e+00 e 0 1442 1430 1443 0 5064 121.654 2.089 8.104 2 U 3.700e+04 0.00e+00 e 0 1442 1434 1443 0 5065 121.654 2.298 8.104 2 U 5.380e+03 0.00e+00 e 0 1442 1438 1443 0 5066 121.654 3.598 8.104 2 U 1.660e+04 0.00e+00 e 0 1442 1445 1443 0 5067 121.654 1.563 8.104 2 U 4.510e+04 0.00e+00 e 0 1442 1447 1443 0 5068 121.654 1.794 8.104 2 U 2.085e+04 0.00e+00 e 0 1442 1448 1443 0 5069 121.654 1.471 8.104 2 U 7.140e+03 0.00e+00 e 0 1442 1451 1443 0 5070 121.654 0.702 8.104 2 U 1.210e+04 0.00e+00 e 0 1442 1452 1443 0 5071 121.654 0.722 8.104 2 U 5.020e+03 0.00e+00 e 0 1442 1453 1443 0 5072 121.654 8.216 8.104 2 U 1.590e+04 0.00e+00 e 0 1442 1465 1443 0 5073 121.654 8.450 8.104 2 U 3.960e+03 0.00e+00 e 0 1442 1483 1443 0 5074 118.381 8.216 8.216 3 U 1.000e+06 0.00e+00 e 0 1464 1465 1465 0 5075 118.381 4.057 8.216 2 U 2.943e+03 0.00e+00 e 0 1464 1385 1465 0 5076 118.381 3.894 8.216 2 U 1.270e+04 0.00e+00 e 0 1464 1408 1465 0 5077 118.381 7.659 8.216 2 U 0.000e+00 0.00e+00 - 0 1464 1428 1465 0 5078 118.381 4.149 8.216 2 U 2.950e+03 0.00e+00 e 0 1464 1430 1465 0 5079 118.381 8.104 8.216 2 U 1.920e+04 0.00e+00 e 0 1464 1443 1465 0 5080 118.381 3.598 8.216 2 U 3.300e+03 0.00e+00 e 0 1464 1445 1465 0 5081 118.381 1.563 8.216 2 U 1.598e+04 0.00e+00 e 0 1464 1447 1465 0 5082 118.381 1.794 8.216 2 U 1.126e+04 0.00e+00 e 0 1464 1448 1465 0 5083 118.381 1.471 8.216 2 U 5.350e+03 0.00e+00 e 0 1464 1451 1465 0 5084 118.381 0.702 8.216 2 U 5.544e+03 0.00e+00 e 0 1464 1452 1465 0 5085 118.381 0.722 8.216 2 U 9.773e+03 0.00e+00 e 0 1464 1453 1465 0 5086 118.381 3.101 8.216 2 U 1.730e+04 0.00e+00 e 0 1464 1467 1465 0 5087 118.381 1.871 8.216 2 U 5.130e+04 0.00e+00 e 0 1464 1469 1465 0 5088 118.381 0.289 8.216 2 U 4.480e+04 0.00e+00 e 0 1464 1470 1465 0 5089 118.381 0.813 8.216 2 U 1.530e+04 0.00e+00 e 0 1464 1471 1465 0 5090 118.381 8.450 8.216 2 U 2.820e+04 0.00e+00 e 0 1464 1483 1465 0 5092 120.158 8.450 8.450 3 U 1.000e+06 0.00e+00 e 0 1482 1483 1483 0 5094 120.158 4.149 8.450 2 U 5.600e+03 0.00e+00 e 0 1482 1430 1483 0 5097 120.158 8.216 8.450 2 U 1.880e+04 0.00e+00 e 0 1482 1465 1483 0 5098 120.158 3.101 8.450 2 U 0.000e+00 0.00e+00 - 0 1482 1467 1483 0 5099 120.158 1.871 8.450 2 U 1.810e+04 0.00e+00 e 0 1482 1469 1483 0 5100 120.158 0.289 8.450 2 U 0.000e+00 0.00e+00 - 0 1482 1470 1483 0 5101 120.158 0.813 8.450 2 U 1.920e+04 0.00e+00 e 0 1482 1471 1483 0 5102 120.158 3.957 8.450 2 U 1.830e+04 0.00e+00 e 0 1482 1485 1483 0 5103 120.158 2.013 8.450 2 U 0.000e+00 0.00e+00 - 0 1482 1487 1483 0 5104 120.158 1.620 8.450 2 U 2.800e+04 0.00e+00 e 0 1482 1488 1483 0 5105 120.158 1.539 8.450 2 U 1.260e+04 0.00e+00 e 0 1482 1491 1483 0 5106 120.158 0.926 8.450 2 U 1.460e+04 0.00e+00 e 0 1482 1492 1483 0 5107 120.158 1.006 8.450 2 U 1.320e+04 0.00e+00 e 0 1482 1493 1483 0 5108 120.158 9.351 8.450 2 U 5.110e+03 0.00e+00 e 0 1482 1505 1483 0 5109 120.158 8.684 8.450 2 U 4.740e+02 0.00e+00 e 0 1482 1523 1483 0 5110 114.882 9.351 9.351 3 U 1.000e+06 0.00e+00 e 0 1504 1505 1505 0 5111 114.882 4.149 9.351 2 U 0.000e+00 0.00e+00 - 0 1504 1430 1505 0 5112 114.882 3.598 9.351 2 U 1.820e+03 0.00e+00 e 0 1504 1445 1505 0 5113 114.882 8.216 9.351 2 U 5.190e+02 0.00e+00 e 0 1504 1465 1505 0 5115 114.882 8.450 9.351 2 U 9.490e+03 0.00e+00 e 0 1504 1483 1505 0 5116 114.882 3.957 9.351 2 U 8.100e+02 0.00e+00 e 0 1504 1485 1505 0 5117 114.882 2.013 9.351 2 U 1.330e+04 0.00e+00 e 0 1504 1487 1505 0 5118 114.882 1.620 9.351 2 U 4.930e+03 0.00e+00 e 0 1504 1488 1505 0 5119 114.882 1.539 9.351 2 U 6.800e+03 0.00e+00 e 0 1504 1491 1505 0 5120 114.882 0.926 9.351 2 U 5.880e+03 0.00e+00 e 0 1504 1492 1505 0 5121 114.882 1.006 9.351 2 U 4.630e+03 0.00e+00 e 0 1504 1493 1505 0 5122 114.882 4.183 9.351 2 U 0.000e+00 0.00e+00 - 0 1504 1507 1505 0 5123 114.882 2.230 9.351 2 U 9.060e+03 0.00e+00 e 0 1504 1509 1505 0 5124 114.882 2.412 9.351 2 U 9.350e+03 0.00e+00 e 0 1504 1510 1505 0 5125 114.882 2.373 9.351 2 U 3.990e+03 0.00e+00 e 0 1504 1515 1505 0 5126 114.882 8.684 9.351 2 U 8.740e+03 0.00e+00 e 0 1504 1523 1505 0 5128 117.483 8.684 8.684 3 U 1.000e+06 0.00e+00 e 0 1522 1523 1523 0 5129 117.483 3.598 8.684 2 U 2.610e+03 0.00e+00 e 0 1522 1445 1523 0 5130 117.483 3.101 8.684 2 U 3.510e+03 0.00e+00 e 0 1522 1467 1523 0 5131 117.483 8.450 8.684 2 U 3.450e+03 0.00e+00 e 0 1522 1483 1523 0 5133 117.483 9.351 8.684 2 U 9.240e+03 0.00e+00 e 0 1522 1505 1523 0 5134 117.483 4.183 8.684 2 U 6.220e+03 0.00e+00 e 0 1522 1507 1523 0 5135 117.483 2.230 8.684 2 U 1.380e+03 0.00e+00 e 0 1522 1509 1523 0 5136 117.483 2.412 8.684 2 U 4.270e+03 0.00e+00 e 0 1522 1510 1523 0 5138 117.483 4.079 8.684 2 U 4.080e+03 0.00e+00 e 0 1522 1525 1523 0 5139 117.483 4.000 8.684 2 U 1.570e+04 0.00e+00 e 0 1522 1529 1523 0 5140 117.483 7.330 8.684 2 U 1.040e+04 0.00e+00 e 0 1522 1533 1523 0 5141 116.006 7.330 7.330 3 U 1.000e+06 0.00e+00 e 0 1532 1533 1533 0 5142 116.006 3.101 7.330 2 U 0.000e+00 0.00e+00 - 0 1532 1467 1533 0 5145 116.006 4.183 7.330 2 U 2.480e+03 0.00e+00 e 0 1532 1507 1533 0 5146 116.006 8.684 7.330 2 U 8.240e+03 0.00e+00 e 0 1532 1523 1533 0 5147 116.006 4.079 7.330 2 U 2.720e+03 0.00e+00 e 0 1532 1525 1533 0 5148 116.006 4.000 7.330 2 U 2.300e+03 0.00e+00 e 0 1532 1529 1533 0 5149 116.006 4.318 7.330 2 U 9.700e+03 0.00e+00 e 0 1532 1535 1533 0 5150 116.006 2.593 7.330 2 U 7.620e+03 0.00e+00 e 0 1532 1537 1533 0 5151 116.006 2.757 7.330 2 U 1.830e+04 0.00e+00 e 0 1532 1538 1533 0 5154 116.006 7.733 7.330 2 U 3.750e+04 0.00e+00 e 0 1532 1556 1533 0 5155 110.550 7.733 7.733 3 U 1.000e+06 0.00e+00 e 0 1555 1556 1556 0 5156 110.550 7.330 7.733 2 U 1.340e+04 0.00e+00 e 0 1555 1533 1556 0 5157 110.550 4.318 7.733 2 U 5.300e+03 0.00e+00 e 0 1555 1535 1556 0 5158 110.550 2.593 7.733 2 U 1.140e+03 0.00e+00 e 0 1555 1537 1556 0 5159 110.550 2.757 7.733 2 U 2.860e+03 0.00e+00 e 0 1555 1538 1556 0 5162 110.550 4.009 7.733 2 U 1.270e+04 0.00e+00 e 0 1555 1558 1556 0 5163 110.550 1.930 7.733 2 U 6.190e+03 0.00e+00 e 0 1555 1560 1556 0 5164 110.550 0.911 7.733 2 U 1.240e+04 0.00e+00 e 0 1555 1561 1556 0 5165 110.550 0.854 7.733 2 U 1.990e+04 0.00e+00 e 0 1555 1562 1556 0 5166 110.550 8.601 7.733 2 U 1.760e+04 0.00e+00 e 0 1555 1574 1556 0 5167 114.529 8.601 8.601 3 U 1.000e+06 0.00e+00 e 0 1573 1574 1574 0 5168 114.529 7.733 8.601 2 U 1.240e+04 0.00e+00 e 0 1573 1556 1574 0 5169 114.529 4.009 8.601 2 U 4.240e+03 0.00e+00 e 0 1573 1558 1574 0 5170 114.529 1.930 8.601 2 U 1.240e+03 0.00e+00 e 0 1573 1560 1574 0 5171 114.529 0.911 8.601 2 U 4.630e+03 0.00e+00 e 0 1573 1561 1574 0 5172 114.529 0.854 8.601 2 U 6.140e+03 0.00e+00 e 0 1573 1562 1574 0 5173 114.529 4.283 8.601 2 U 1.930e+04 0.00e+00 e 0 1573 1576 1574 0 5174 114.529 2.912 8.601 2 U 3.170e+03 0.00e+00 e 0 1573 1578 1574 0 5175 114.529 3.257 8.601 2 U 5.190e+03 0.00e+00 e 0 1573 1579 1574 0 5176 114.529 6.965 8.601 2 U 6.060e+03 0.00e+00 e 0 1573 1587 1574 0 5178 114.529 8.344 8.601 2 U 6.090e+03 0.00e+00 e 0 1573 1591 1574 0 5179 118.188 8.344 8.344 3 U 1.000e+06 0.00e+00 e 0 1590 1591 1591 0 5180 118.188 8.601 8.344 2 U 5.480e+03 0.00e+00 e 0 1590 1574 1591 0 5181 118.188 4.283 8.344 2 U 4.390e+03 0.00e+00 e 0 1590 1576 1591 0 5183 118.188 3.257 8.344 2 U 2.220e+03 0.00e+00 e 0 1590 1579 1591 0 5186 118.188 4.781 8.344 2 U 3.450e+03 0.00e+00 e 0 1590 1593 1591 0 5187 118.188 3.276 8.344 2 U 1.440e+04 0.00e+00 e 0 1590 1597 1591 0 5190 118.188 7.475 8.344 2 U 8.670e+03 0.00e+00 e 0 1590 1608 1591 0 5191 111.390 7.475 7.475 3 U 1.000e+06 0.00e+00 e 0 1607 1608 1608 0 5192 111.390 8.344 7.475 2 U 5.620e+03 0.00e+00 e 0 1607 1591 1608 0 5193 111.390 4.781 7.475 2 U 5.580e+03 0.00e+00 e 0 1607 1593 1608 0 5194 111.390 3.276 7.475 2 U 5.860e+03 0.00e+00 e 0 1607 1597 1608 0 5197 111.390 4.365 7.475 2 U 4.370e+03 0.00e+00 e 0 1607 1610 1608 0 5198 111.390 1.960 7.475 2 U 5.830e+03 0.00e+00 e 0 1607 1612 1608 0 5199 111.390 1.044 7.475 2 U 1.070e+04 0.00e+00 e 0 1607 1613 1608 0 5200 111.390 1.535 7.475 2 U 5.300e+03 0.00e+00 e 0 1607 1619 1608 0 5201 111.390 1.285 7.475 2 U 9.880e+03 0.00e+00 e 0 1607 1620 1608 0 5202 111.390 0.886 7.475 2 U 9.040e+03 0.00e+00 e 0 1607 1622 1608 0 5203 118.503 7.154 7.154 3 U 1.000e+06 0.00e+00 e 0 1695 1696 1696 0 5204 118.503 4.127 7.154 2 U 1.170e+03 0.00e+00 e 0 1695 1673 1696 0 5205 118.503 1.964 7.154 2 U 4.530e+03 0.00e+00 e 0 1695 1677 1696 0 5206 118.503 1.493 7.154 2 U 2.670e+03 0.00e+00 e 0 1695 1681 1696 0 5207 118.503 1.632 7.154 2 U 1.660e+03 0.00e+00 e 0 1695 1685 1696 0 5209 118.503 4.154 7.154 2 U 6.620e+02 0.00e+00 e 0 1695 1698 1696 0 5210 118.503 1.742 7.154 2 U 2.990e+03 0.00e+00 e 0 1695 1702 1696 0 5211 118.503 1.607 7.154 2 U 2.580e+02 0.00e+00 e 0 1695 1706 1696 0 5213 118.503 8.255 7.154 2 U 5.250e+03 0.00e+00 e 0 1695 1722 1696 0 5215 119.079 8.255 8.255 3 U 1.000e+06 0.00e+00 e 0 1721 1722 1722 0 5217 119.079 7.154 8.255 2 U 7.410e+03 0.00e+00 e 0 1721 1696 1722 0 5218 119.079 4.154 8.255 2 U 4.830e+03 0.00e+00 e 0 1721 1698 1722 0 5219 119.079 1.742 8.255 2 U 4.840e+03 0.00e+00 e 0 1721 1702 1722 0 5220 119.079 1.607 8.255 2 U 4.600e+03 0.00e+00 e 0 1721 1706 1722 0 5222 119.079 3.449 8.255 2 U 9.060e+03 0.00e+00 e 0 1721 1724 1722 0 5223 119.079 2.203 8.255 2 U 1.250e+04 0.00e+00 e 0 1721 1726 1722 0 5224 119.079 2.530 8.255 2 U 2.110e+04 0.00e+00 e 0 1721 1727 1722 0 5225 119.079 6.448 8.255 2 U 1.370e+03 0.00e+00 e 0 1721 1729 1722 0 5228 119.079 8.497 8.255 2 U 1.350e+04 0.00e+00 e 0 1721 1745 1722 0 5230 121.719 8.497 8.497 3 U 1.000e+06 0.00e+00 e 0 1744 1745 1745 0 5231 121.719 4.127 8.497 2 U 5.240e+03 0.00e+00 e 0 1744 1673 1745 0 5233 121.719 4.154 8.497 2 U 1.760e+03 0.00e+00 e 0 1744 1698 1745 0 5234 121.719 8.255 8.497 2 U 3.960e+03 0.00e+00 e 0 1744 1722 1745 0 5235 121.719 3.449 8.497 2 U 4.510e+03 0.00e+00 e 0 1744 1724 1745 0 5236 121.719 2.203 8.497 2 U 4.050e+03 0.00e+00 e 0 1744 1726 1745 0 5237 121.719 2.530 8.497 2 U 6.260e+03 0.00e+00 e 0 1744 1727 1745 0 5241 121.719 3.976 8.497 2 U 1.560e+04 0.00e+00 e 0 1744 1747 1745 0 5242 121.719 1.972 8.497 2 U 1.900e+04 0.00e+00 e 0 1744 1749 1745 0 5243 121.719 2.021 8.497 2 U 1.930e+04 0.00e+00 e 0 1744 1750 1745 0 5244 121.719 1.460 8.497 2 U 4.910e+03 0.00e+00 e 0 1744 1753 1745 0 5245 121.719 1.517 8.497 2 U 3.520e+03 0.00e+00 e 0 1744 1754 1745 0 5246 121.719 1.710 8.497 2 U 3.020e+03 0.00e+00 e 0 1744 1757 1745 0 5247 121.719 1.740 8.497 2 U 3.150e+03 0.00e+00 e 0 1744 1758 1745 0 5249 121.719 8.153 8.497 2 U 1.550e+04 0.00e+00 e 0 1744 1770 1745 0 5250 121.719 8.221 8.497 2 U 3.270e+03 0.00e+00 e 0 1744 1781 1745 0 5251 119.793 8.153 8.153 3 U 1.000e+06 0.00e+00 e 0 1769 1770 1770 0 5252 119.793 4.127 8.153 2 U 2.175e+03 0.00e+00 e 0 1769 1673 1770 0 5253 119.793 4.154 8.153 2 U 4.600e+03 0.00e+00 e 0 1769 1698 1770 0 5254 119.793 8.255 8.153 2 U 1.660e+03 0.00e+00 e 0 1769 1722 1770 0 5256 119.793 8.497 8.153 2 U 1.920e+04 0.00e+00 e 0 1769 1745 1770 0 5257 119.793 3.976 8.153 2 U 5.220e+03 0.00e+00 e 0 1769 1747 1770 0 5258 119.793 1.972 8.153 2 U 1.580e+04 0.00e+00 e 0 1769 1749 1770 0 5259 119.793 2.021 8.153 2 U 1.420e+04 0.00e+00 e 0 1769 1750 1770 0 5260 119.793 1.460 8.153 2 U 5.490e+03 0.00e+00 e 0 1769 1753 1770 0 5261 119.793 1.517 8.153 2 U 4.220e+03 0.00e+00 e 0 1769 1754 1770 0 5262 119.793 1.710 8.153 2 U 1.880e+03 0.00e+00 e 0 1769 1757 1770 0 5263 119.793 1.740 8.153 2 U 1.880e+03 0.00e+00 e 0 1769 1758 1770 0 5264 119.793 2.995 8.153 2 U 2.540e+03 0.00e+00 e 0 1769 1763 1770 0 5265 119.793 4.294 8.153 2 U 3.030e+04 0.00e+00 e 0 1769 1772 1770 0 5266 119.793 2.609 8.153 2 U 2.030e+04 0.00e+00 e 0 1769 1774 1770 0 5267 119.793 2.872 8.153 2 U 2.780e+04 0.00e+00 e 0 1769 1775 1770 0 5268 119.793 8.221 8.153 2 U 2.190e+04 0.00e+00 e 0 1769 1781 1770 0 5269 119.793 7.927 8.153 2 U 1.060e+03 0.00e+00 e 0 1769 1802 1770 0 5270 118.766 8.221 8.221 3 U 1.000e+06 0.00e+00 e 0 1780 1781 1781 0 5271 118.766 4.154 8.221 2 U 7.750e+02 0.00e+00 e 0 1780 1698 1781 0 5272 118.766 3.449 8.221 2 U 3.190e+03 0.00e+00 e 0 1780 1724 1781 0 5273 118.766 8.497 8.221 2 U 1.280e+03 0.00e+00 e 0 1780 1745 1781 0 5274 118.766 3.976 8.221 2 U 1.380e+03 0.00e+00 e 0 1780 1747 1781 0 5275 118.766 8.153 8.221 2 U 1.440e+04 0.00e+00 e 0 1780 1770 1781 0 5276 118.766 4.294 8.221 2 U 7.630e+03 0.00e+00 e 0 1780 1772 1781 0 5277 118.766 2.609 8.221 2 U 1.430e+04 0.00e+00 e 0 1780 1774 1781 0 5278 118.766 2.872 8.221 2 U 1.260e+04 0.00e+00 e 0 1780 1775 1781 0 5279 118.766 3.692 8.221 2 U 5.930e+03 0.00e+00 e 0 1780 1783 1781 0 5280 118.766 1.548 8.221 2 U 2.970e+04 0.00e+00 e 0 1780 1785 1781 0 5281 118.766 0.657 8.221 2 U 1.080e+04 0.00e+00 e 0 1780 1786 1781 0 5282 118.766 1.065 8.221 2 U 1.900e+04 0.00e+00 e 0 1780 1792 1781 0 5283 118.766 1.374 8.221 2 U 1.960e+04 0.00e+00 e 0 1780 1793 1781 0 5284 118.766 0.566 8.221 2 U 7.410e+03 0.00e+00 e 0 1780 1795 1781 0 5285 118.766 7.927 8.221 2 U 2.800e+04 0.00e+00 e 0 1780 1802 1781 0 5286 118.766 8.468 8.221 2 U 1.330e+03 0.00e+00 e 0 1780 1815 1781 0 5287 117.931 7.927 7.927 3 U 1.000e+06 0.00e+00 e 0 1801 1802 1802 0 5288 117.931 3.449 7.927 2 U 4.810e+03 0.00e+00 e 0 1801 1724 1802 0 5289 117.931 3.976 7.927 2 U 1.520e+04 0.00e+00 e 0 1801 1747 1802 0 5290 117.931 8.153 7.927 2 U 1.350e+03 0.00e+00 e 0 1801 1770 1802 0 5291 117.931 4.294 7.927 2 U 0.000e+00 0.00e+00 - 0 1801 1772 1802 0 5292 117.931 8.221 7.927 2 U 3.540e+04 0.00e+00 e 0 1801 1781 1802 0 5293 117.931 3.692 7.927 2 U 9.420e+03 0.00e+00 e 0 1801 1783 1802 0 5294 117.931 1.548 7.927 2 U 1.620e+04 0.00e+00 e 0 1801 1785 1802 0 5295 117.931 0.657 7.927 2 U 1.180e+04 0.00e+00 e 0 1801 1786 1802 0 5296 117.931 1.065 7.927 2 U 3.940e+03 0.00e+00 e 0 1801 1792 1802 0 5297 117.931 1.374 7.927 2 U 9.180e+03 0.00e+00 e 0 1801 1793 1802 0 5298 117.931 0.566 7.927 2 U 2.970e+02 0.00e+00 e 0 1801 1795 1802 0 5299 117.931 3.476 7.927 2 U 2.110e+04 0.00e+00 e 0 1801 1804 1802 0 5300 117.931 4.090 7.927 2 U 4.100e+04 0.00e+00 e 0 1801 1806 1802 0 5301 117.931 1.004 7.927 2 U 2.010e+04 0.00e+00 e 0 1801 1807 1802 0 5302 117.931 8.468 7.927 2 U 3.410e+04 0.00e+00 e 0 1801 1815 1802 0 5303 117.931 7.843 7.927 2 U 1.340e+03 0.00e+00 e 0 1801 1830 1802 0 5304 118.900 8.468 8.468 3 U 1.000e+06 0.00e+00 e 0 1814 1815 1815 0 5305 118.900 3.976 8.468 2 U 0.000e+00 0.00e+00 - 0 1814 1747 1815 0 5306 118.900 4.294 8.468 2 U 4.480e+03 0.00e+00 e 0 1814 1772 1815 0 5307 118.900 8.221 8.468 2 U 1.040e+03 0.00e+00 e 0 1814 1781 1815 0 5309 118.900 7.927 8.468 2 U 1.330e+04 0.00e+00 e 0 1814 1802 1815 0 5310 118.900 3.476 8.468 2 U 3.090e+03 0.00e+00 e 0 1814 1804 1815 0 5311 118.900 4.090 8.468 2 U 1.850e+04 0.00e+00 e 0 1814 1806 1815 0 5312 118.900 1.004 8.468 2 U 4.700e+03 0.00e+00 e 0 1814 1807 1815 0 5313 118.900 3.919 8.468 2 U 2.860e+04 0.00e+00 e 0 1814 1817 1815 0 5314 118.900 1.982 8.468 2 U 1.750e+04 0.00e+00 e 0 1814 1819 1815 0 5315 118.900 2.079 8.468 2 U 2.760e+04 0.00e+00 e 0 1814 1820 1815 0 5316 118.900 2.204 8.468 2 U 1.524e+04 0.00e+00 e 0 1814 1823 1815 0 5317 118.900 2.463 8.468 2 U 1.458e+04 0.00e+00 e 0 1814 1824 1815 0 5318 118.900 7.843 8.468 2 U 1.400e+04 0.00e+00 e 0 1814 1830 1815 0 5319 118.900 8.291 8.468 2 U 1.020e+03 0.00e+00 e 0 1814 1840 1815 0 5320 114.207 7.843 7.843 3 U 1.000e+06 0.00e+00 e 0 1829 1830 1830 0 5321 114.207 4.294 7.843 2 U 9.920e+03 0.00e+00 e 0 1829 1772 1830 0 5322 114.207 3.692 7.843 2 U 1.480e+04 0.00e+00 e 0 1829 1783 1830 0 5323 114.207 7.927 7.843 2 U 3.240e+03 0.00e+00 e 0 1829 1802 1830 0 5324 114.207 3.476 7.843 2 U 1.660e+03 0.00e+00 e 0 1829 1804 1830 0 5325 114.207 8.468 7.843 2 U 4.950e+04 0.00e+00 e 0 1829 1815 1830 0 5326 114.207 3.919 7.843 2 U 1.030e+04 0.00e+00 e 0 1829 1817 1830 0 5327 114.207 1.982 7.843 2 U 2.080e+04 0.00e+00 e 0 1829 1819 1830 0 5328 114.207 2.079 7.843 2 U 1.720e+04 0.00e+00 e 0 1829 1820 1830 0 5329 114.207 2.204 7.843 2 U 9.900e+03 0.00e+00 e 0 1829 1823 1830 0 5330 114.207 2.463 7.843 2 U 2.510e+03 0.00e+00 e 0 1829 1824 1830 0 5331 114.207 4.289 7.843 2 U 2.520e+04 0.00e+00 e 0 1829 1832 1830 0 5332 114.207 3.961 7.843 2 U 8.400e+04 0.00e+00 e 0 1829 1836 1830 0 5333 114.207 8.291 7.843 2 U 4.180e+04 0.00e+00 e 0 1829 1840 1830 0 5334 114.207 8.559 7.843 2 U 8.660e+02 0.00e+00 e 0 1829 1858 1830 0 5335 122.104 8.291 8.291 3 U 1.000e+06 0.00e+00 e 0 1839 1840 1840 0 5336 122.104 3.692 8.291 2 U 7.600e+03 0.00e+00 e 0 1839 1783 1840 0 5337 122.104 3.476 8.291 2 U 4.190e+03 0.00e+00 e 0 1839 1804 1840 0 5338 122.104 8.468 8.291 2 U 2.540e+03 0.00e+00 e 0 1839 1815 1840 0 5339 122.104 3.919 8.291 2 U 1.580e+03 0.00e+00 e 0 1839 1817 1840 0 5340 122.104 7.843 8.291 2 U 3.670e+04 0.00e+00 e 0 1839 1830 1840 0 5341 122.104 4.289 8.291 2 U 6.730e+03 0.00e+00 e 0 1839 1832 1840 0 5342 122.104 3.961 8.291 2 U 2.860e+04 0.00e+00 e 0 1839 1836 1840 0 5343 122.104 3.693 8.291 2 U 2.000e+04 0.00e+00 e 0 1839 1842 1840 0 5344 122.104 2.153 8.291 2 U 6.130e+04 0.00e+00 e 0 1839 1844 1840 0 5345 122.104 0.848 8.291 2 U 1.840e+04 0.00e+00 e 0 1839 1845 1840 0 5346 122.104 1.062 8.291 2 U 5.470e+04 0.00e+00 e 0 1839 1846 1840 0 5347 122.104 8.559 8.291 2 U 3.240e+04 0.00e+00 e 0 1839 1858 1840 0 5348 122.104 8.445 8.291 2 U 1.550e+03 0.00e+00 e 0 1839 1880 1840 0 5349 117.546 8.559 8.559 3 U 1.000e+06 0.00e+00 e 0 1857 1858 1858 0 5350 117.546 3.476 8.559 2 U 1.520e+03 0.00e+00 e 0 1857 1804 1858 0 5351 117.546 3.919 8.559 2 U 4.700e+03 0.00e+00 e 0 1857 1817 1858 0 5354 117.546 8.291 8.559 2 U 2.720e+04 0.00e+00 e 0 1857 1840 1858 0 5355 117.546 3.693 8.559 2 U 3.260e+03 0.00e+00 e 0 1857 1842 1858 0 5356 117.546 2.153 8.559 2 U 3.080e+04 0.00e+00 e 0 1857 1844 1858 0 5357 117.546 0.848 8.559 2 U 1.660e+04 0.00e+00 e 0 1857 1845 1858 0 5358 117.546 1.062 8.559 2 U 1.400e+04 0.00e+00 e 0 1857 1846 1858 0 5359 117.546 3.898 8.559 2 U 1.820e+04 0.00e+00 e 0 1857 1860 1858 0 5360 117.546 1.439 8.559 2 U 1.672e+04 0.00e+00 e 0 1857 1862 1858 0 5361 117.546 1.975 8.559 2 U 2.622e+04 0.00e+00 e 0 1857 1863 1858 0 5362 117.546 1.719 8.559 2 U 2.327e+04 0.00e+00 e 0 1857 1866 1858 0 5363 117.546 0.986 8.559 2 U 1.880e+04 0.00e+00 e 0 1857 1867 1858 0 5364 117.546 0.874 8.559 2 U 1.040e+04 0.00e+00 e 0 1857 1868 1858 0 5365 117.546 8.445 8.559 2 U 2.570e+04 0.00e+00 e 0 1857 1880 1858 0 5367 119.002 8.445 8.445 3 U 1.000e+06 0.00e+00 e 0 1879 1880 1880 0 5368 119.002 3.919 8.445 2 U 1.370e+04 0.00e+00 e 0 1879 1817 1880 0 5369 119.002 4.289 8.445 2 U 4.760e+03 0.00e+00 e 0 1879 1832 1880 0 5370 119.002 8.291 8.445 2 U 1.740e+03 0.00e+00 e 0 1879 1840 1880 0 5372 119.002 8.559 8.445 2 U 3.810e+04 0.00e+00 e 0 1879 1858 1880 0 5373 119.002 3.898 8.445 2 U 1.240e+04 0.00e+00 e 0 1879 1860 1880 0 5374 119.002 1.439 8.445 2 U 1.440e+04 0.00e+00 e 0 1879 1862 1880 0 5375 119.002 1.975 8.445 2 U 1.390e+04 0.00e+00 e 0 1879 1863 1880 0 5376 119.002 1.719 8.445 2 U 7.400e+03 0.00e+00 e 0 1879 1866 1880 0 5377 119.002 0.986 8.445 2 U 6.320e+03 0.00e+00 e 0 1879 1867 1880 0 5378 119.002 0.874 8.445 2 U 4.197e+03 0.00e+00 e 0 1879 1868 1880 0 5379 119.002 4.173 8.445 2 U 5.040e+04 0.00e+00 e 0 1879 1882 1880 0 5380 119.002 3.169 8.445 2 U 3.810e+04 0.00e+00 e 0 1879 1884 1880 0 5381 119.002 3.279 8.445 2 U 4.440e+04 0.00e+00 e 0 1879 1885 1880 0 5382 119.002 7.130 8.445 2 U 5.480e+03 0.00e+00 e 0 1879 1887 1880 0 5384 119.002 7.800 8.445 2 U 2.180e+04 0.00e+00 e 0 1879 1903 1880 0 5385 119.002 8.509 8.445 2 U 1.180e+03 0.00e+00 e 0 1879 1916 1880 0 5386 116.519 7.800 7.800 3 U 1.000e+06 0.00e+00 e 0 1902 1903 1903 0 5387 116.519 4.289 7.800 2 U 2.210e+03 0.00e+00 e 0 1902 1832 1903 0 5388 116.519 3.693 7.800 2 U 5.600e+03 0.00e+00 e 0 1902 1842 1903 0 5389 116.519 8.559 7.800 2 U 1.280e+03 0.00e+00 e 0 1902 1858 1903 0 5390 116.519 3.898 7.800 2 U 3.020e+03 0.00e+00 e 0 1902 1860 1903 0 5391 116.519 8.445 7.800 2 U 2.710e+04 0.00e+00 e 0 1902 1880 1903 0 5392 116.519 4.173 7.800 2 U 1.670e+04 0.00e+00 e 0 1902 1882 1903 0 5393 116.519 3.169 7.800 2 U 2.940e+04 0.00e+00 e 0 1902 1884 1903 0 5394 116.519 3.279 7.800 2 U 9.970e+03 0.00e+00 e 0 1902 1885 1903 0 5395 116.519 7.130 7.800 2 U 8.600e+03 0.00e+00 e 0 1902 1887 1903 0 5397 116.519 3.857 7.800 2 U 2.390e+04 0.00e+00 e 0 1902 1905 1903 0 5398 116.519 4.176 7.800 2 U 2.450e+04 0.00e+00 e 0 1902 1907 1903 0 5399 116.519 1.226 7.800 2 U 1.270e+04 0.00e+00 e 0 1902 1908 1903 0 5400 116.519 8.509 7.800 2 U 2.100e+04 0.00e+00 e 0 1902 1916 1903 0 5401 116.519 8.438 7.800 2 U 1.000e+03 0.00e+00 e 0 1902 1938 1903 0 5402 121.012 8.509 8.509 3 U 1.000e+06 0.00e+00 e 0 1915 1916 1916 0 5403 121.012 3.693 8.509 2 U 1.650e+03 0.00e+00 e 0 1915 1842 1916 0 5404 121.012 3.898 8.509 2 U 6.910e+03 0.00e+00 e 0 1915 1860 1916 0 5405 121.012 8.445 8.509 2 U 1.190e+03 0.00e+00 e 0 1915 1880 1916 0 5406 121.012 4.173 8.509 2 U 2.550e+03 0.00e+00 e 0 1915 1882 1916 0 5407 121.012 7.800 8.509 2 U 1.940e+04 0.00e+00 e 0 1915 1903 1916 0 5408 121.012 3.857 8.509 2 U 1.120e+04 0.00e+00 e 0 1915 1905 1916 0 5409 121.012 4.176 8.509 2 U 5.890e+03 0.00e+00 e 0 1915 1907 1916 0 5410 121.012 1.226 8.509 2 U 1.560e+04 0.00e+00 e 0 1915 1908 1916 0 5411 121.012 3.900 8.509 2 U 8.690e+03 0.00e+00 e 0 1915 1918 1916 0 5412 121.012 0.982 8.509 2 U 1.370e+04 0.00e+00 e 0 1915 1920 1916 0 5413 121.012 1.614 8.509 2 U 3.040e+04 0.00e+00 e 0 1915 1921 1916 0 5414 121.012 1.628 8.509 2 U 4.033e+04 0.00e+00 e 0 1915 1924 1916 0 5415 121.012 0.018 8.509 2 U 1.440e+04 0.00e+00 e 0 1915 1925 1916 0 5416 121.012 0.370 8.509 2 U 2.800e+04 0.00e+00 e 0 1915 1926 1916 0 5417 121.012 8.438 8.509 2 U 1.730e+04 0.00e+00 e 0 1915 1938 1916 0 5418 121.012 7.921 8.509 2 U 6.580e+02 0.00e+00 e 0 1915 1955 1916 0 5419 116.261 8.438 8.438 3 U 1.000e+06 0.00e+00 e 0 1937 1938 1938 0 5420 116.261 3.898 8.438 2 U 3.740e+03 0.00e+00 e 0 1937 1860 1938 0 5421 116.261 4.173 8.438 2 U 6.160e+03 0.00e+00 e 0 1937 1882 1938 0 5423 116.261 3.857 8.438 2 U 2.250e+03 0.00e+00 e 0 1937 1905 1938 0 5424 116.261 8.509 8.438 2 U 0.000e+00 0.00e+00 - 0 1937 1916 1938 0 5425 116.261 3.900 8.438 2 U 3.410e+03 0.00e+00 e 0 1937 1918 1938 0 5426 116.261 0.982 8.438 2 U 1.396e+04 0.00e+00 e 0 1937 1920 1938 0 5427 116.261 1.614 8.438 2 U 1.825e+04 0.00e+00 e 0 1937 1921 1938 0 5428 116.261 1.628 8.438 2 U 1.028e+04 0.00e+00 e 0 1937 1924 1938 0 5430 116.261 0.370 8.438 2 U 3.739e+03 0.00e+00 e 0 1937 1926 1938 0 5431 116.261 4.002 8.438 2 U 1.170e+04 0.00e+00 e 0 1937 1940 1938 0 5432 116.261 2.976 8.438 2 U 1.603e+04 0.00e+00 e 0 1937 1942 1938 0 5433 116.261 3.001 8.438 2 U 2.684e+04 0.00e+00 e 0 1937 1943 1938 0 5434 116.261 6.946 8.438 2 U 5.650e+03 0.00e+00 e 0 1937 1951 1938 0 5436 116.261 7.921 8.438 2 U 2.740e+04 0.00e+00 e 0 1937 1955 1938 0 5437 116.261 8.303 8.438 2 U 1.460e+03 0.00e+00 e 0 1937 1965 1938 0 5438 122.938 7.921 7.921 3 U 1.000e+06 0.00e+00 e 0 1954 1955 1955 0 5439 122.938 4.173 7.921 2 U 3.100e+03 0.00e+00 e 0 1954 1882 1955 0 5440 122.938 3.857 7.921 2 U 8.560e+03 0.00e+00 e 0 1954 1905 1955 0 5441 122.938 8.509 7.921 2 U 4.660e+03 0.00e+00 e 0 1954 1916 1955 0 5442 122.938 3.900 7.921 2 U 6.370e+03 0.00e+00 e 0 1954 1918 1955 0 5443 122.938 8.438 7.921 2 U 4.470e+04 0.00e+00 e 0 1954 1938 1955 0 5444 122.938 4.002 7.921 2 U 1.170e+04 0.00e+00 e 0 1954 1940 1955 0 5445 122.938 2.976 7.921 2 U 1.020e+04 0.00e+00 e 0 1954 1942 1955 0 5446 122.938 3.001 7.921 2 U 1.500e+04 0.00e+00 e 0 1954 1943 1955 0 5449 122.938 4.129 7.921 2 U 3.060e+04 0.00e+00 e 0 1954 1957 1955 0 5450 122.938 1.396 7.921 2 U 8.930e+04 0.00e+00 e 0 1954 1958 1955 0 5451 122.938 8.303 7.921 2 U 3.920e+04 0.00e+00 e 0 1954 1965 1955 0 5452 122.938 8.225 7.921 2 U 7.290e+03 0.00e+00 e 0 1954 1983 1955 0 5453 118.958 8.303 8.303 3 U 1.000e+06 0.00e+00 e 0 1964 1965 1965 0 5454 118.958 3.857 8.303 2 U 5.870e+03 0.00e+00 e 0 1964 1905 1965 0 5455 118.958 3.900 8.303 2 U 1.280e+04 0.00e+00 e 0 1964 1918 1965 0 5456 118.958 8.438 8.303 2 U 1.120e+03 0.00e+00 e 0 1964 1938 1965 0 5457 118.958 4.002 8.303 2 U 3.120e+03 0.00e+00 e 0 1964 1940 1965 0 5458 118.958 7.921 8.303 2 U 3.780e+04 0.00e+00 e 0 1964 1955 1965 0 5459 118.958 4.129 8.303 2 U 1.060e+04 0.00e+00 e 0 1964 1957 1965 0 5460 118.958 1.396 8.303 2 U 4.820e+04 0.00e+00 e 0 1964 1958 1965 0 5461 118.958 3.542 8.303 2 U 2.210e+04 0.00e+00 e 0 1964 1967 1965 0 5462 118.958 2.519 8.303 2 U 5.980e+04 0.00e+00 e 0 1964 1969 1965 0 5463 118.958 0.979 8.303 2 U 1.755e+04 0.00e+00 e 0 1964 1970 1965 0 5464 118.958 1.201 8.303 2 U 6.690e+04 0.00e+00 e 0 1964 1971 1965 0 5465 118.958 8.225 8.303 2 U 6.190e+04 0.00e+00 e 0 1964 1983 1965 0 5466 118.958 8.175 8.303 2 U 1.170e+03 0.00e+00 e 0 1964 2008 1965 0 5467 120.627 8.225 8.225 3 U 1.000e+06 0.00e+00 e 0 1982 1983 1983 0 5468 120.627 3.900 8.225 2 U 4.470e+03 0.00e+00 e 0 1982 1918 1983 0 5469 120.627 4.002 8.225 2 U 1.030e+04 0.00e+00 e 0 1982 1940 1983 0 5470 120.627 7.921 8.225 2 U 1.560e+03 0.00e+00 e 0 1982 1955 1983 0 5471 120.627 4.129 8.225 2 U 2.620e+03 0.00e+00 e 0 1982 1957 1983 0 5472 120.627 8.303 8.225 2 U 2.880e+04 0.00e+00 e 0 1982 1965 1983 0 5473 120.627 3.542 8.225 2 U 3.780e+03 0.00e+00 e 0 1982 1967 1983 0 5474 120.627 2.519 8.225 2 U 1.110e+04 0.00e+00 e 0 1982 1969 1983 0 5475 120.627 0.979 8.225 2 U 1.420e+04 0.00e+00 e 0 1982 1970 1983 0 5476 120.627 1.201 8.225 2 U 1.051e+04 0.00e+00 e 0 1982 1971 1983 0 5477 120.627 3.812 8.225 2 U 1.600e+04 0.00e+00 e 0 1982 1985 1983 0 5478 120.627 1.805 8.225 2 U 2.700e+04 0.00e+00 e 0 1982 1987 1983 0 5479 120.627 2.049 8.225 2 U 2.970e+04 0.00e+00 e 0 1982 1988 1983 0 5480 120.627 1.334 8.225 2 U 8.320e+03 0.00e+00 e 0 1982 1991 1983 0 5481 120.627 1.497 8.225 2 U 7.540e+03 0.00e+00 e 0 1982 1992 1983 0 5482 120.627 1.489 8.225 2 U 3.390e+03 0.00e+00 e 0 1982 1997 1983 0 5483 120.627 8.175 8.225 2 U 2.520e+04 0.00e+00 e 0 1982 2008 1983 0 5484 120.627 7.986 8.225 2 U 1.690e+03 0.00e+00 e 0 1982 2019 1983 0 5485 118.830 8.175 8.175 3 U 1.000e+06 0.00e+00 e 0 2007 2008 2008 0 5486 118.830 4.002 8.175 2 U 3.950e+03 0.00e+00 e 0 2007 1940 2008 0 5487 118.830 4.129 8.175 2 U 9.600e+03 0.00e+00 e 0 2007 1957 2008 0 5488 118.830 8.303 8.175 2 U 2.290e+03 0.00e+00 e 0 2007 1965 2008 0 5489 118.830 3.542 8.175 2 U 9.050e+02 0.00e+00 e 0 2007 1967 2008 0 5490 118.830 8.225 8.175 2 U 4.930e+04 0.00e+00 e 0 2007 1983 2008 0 5491 118.830 3.812 8.175 2 U 4.960e+03 0.00e+00 e 0 2007 1985 2008 0 5492 118.830 1.805 8.175 2 U 1.130e+04 0.00e+00 e 0 2007 1987 2008 0 5493 118.830 2.049 8.175 2 U 3.240e+04 0.00e+00 e 0 2007 1988 2008 0 5494 118.830 1.334 8.175 2 U 3.920e+03 0.00e+00 e 0 2007 1991 2008 0 5495 118.830 1.497 8.175 2 U 4.050e+03 0.00e+00 e 0 2007 1992 2008 0 5496 118.830 1.489 8.175 2 U 1.980e+03 0.00e+00 e 0 2007 1997 2008 0 5497 118.830 4.299 8.175 2 U 2.190e+04 0.00e+00 e 0 2007 2010 2008 0 5498 118.830 2.142 8.175 2 U 2.810e+04 0.00e+00 e 0 2007 2012 2008 0 5499 118.830 2.626 8.175 2 U 4.090e+04 0.00e+00 e 0 2007 2013 2008 0 5500 118.830 7.986 8.175 2 U 2.530e+04 0.00e+00 e 0 2007 2019 2008 0 5501 118.830 8.370 8.175 2 U 2.840e+03 0.00e+00 e 0 2007 2034 2008 0 5502 120.757 7.986 7.986 3 U 1.000e+06 0.00e+00 e 0 2018 2019 2019 0 5503 120.757 4.129 7.986 2 U 9.130e+02 0.00e+00 e 0 2018 1957 2019 0 5504 120.757 3.542 7.986 2 U 6.200e+03 0.00e+00 e 0 2018 1967 2019 0 5505 120.757 8.225 7.986 2 U 3.260e+03 0.00e+00 e 0 2018 1983 2019 0 5507 120.757 8.175 7.986 2 U 1.610e+04 0.00e+00 e 0 2018 2008 2019 0 5508 120.757 4.299 7.986 2 U 1.560e+03 0.00e+00 e 0 2018 2010 2019 0 5509 120.757 2.142 7.986 2 U 7.160e+03 0.00e+00 e 0 2018 2012 2019 0 5510 120.757 2.626 7.986 2 U 7.580e+03 0.00e+00 e 0 2018 2013 2019 0 5511 120.757 4.056 7.986 2 U 7.790e+03 0.00e+00 e 0 2018 2021 2019 0 5512 120.757 2.117 7.986 2 U 1.530e+04 0.00e+00 e 0 2018 2023 2019 0 5513 120.757 2.171 7.986 2 U 1.590e+04 0.00e+00 e 0 2018 2024 2019 0 5514 120.757 2.254 7.986 2 U 1.480e+04 0.00e+00 e 0 2018 2027 2019 0 5515 120.757 2.346 7.986 2 U 2.160e+04 0.00e+00 e 0 2018 2028 2019 0 5516 120.757 8.370 7.986 2 U 5.910e+03 0.00e+00 e 0 2018 2034 2019 0 5517 120.757 7.719 7.986 2 U 9.880e+02 0.00e+00 e 0 2018 2055 2019 0 5518 119.676 8.370 8.370 3 U 1.000e+06 0.00e+00 e 0 2033 2034 2034 0 5519 119.676 3.542 8.370 2 U 4.480e+03 0.00e+00 e 0 2033 1967 2034 0 5520 119.676 3.812 8.370 2 U 3.730e+03 0.00e+00 e 0 2033 1985 2034 0 5521 119.676 8.175 8.370 2 U 2.420e+03 0.00e+00 e 0 2033 2008 2034 0 5522 119.676 4.299 8.370 2 U 3.590e+03 0.00e+00 e 0 2033 2010 2034 0 5523 119.676 7.986 8.370 2 U 1.740e+04 0.00e+00 e 0 2033 2019 2034 0 5524 119.676 4.056 8.370 2 U 8.860e+03 0.00e+00 e 0 2033 2021 2034 0 5525 119.676 2.117 8.370 2 U 7.260e+03 0.00e+00 e 0 2033 2023 2034 0 5526 119.676 2.171 8.370 2 U 7.189e+03 0.00e+00 e 0 2033 2024 2034 0 5527 119.676 2.254 8.370 2 U 5.560e+03 0.00e+00 e 0 2033 2027 2034 0 5528 119.676 2.346 8.370 2 U 7.690e+03 0.00e+00 e 0 2033 2028 2034 0 5529 119.676 3.609 8.370 2 U 1.180e+04 0.00e+00 e 0 2033 2036 2034 0 5530 119.676 1.937 8.370 2 U 2.010e+04 0.00e+00 e 0 2033 2038 2034 0 5531 119.676 0.953 8.370 2 U 9.780e+03 0.00e+00 e 0 2033 2039 2034 0 5532 119.676 0.963 8.370 2 U 9.920e+03 0.00e+00 e 0 2033 2045 2034 0 5533 119.676 1.930 8.370 2 U 2.460e+04 0.00e+00 e 0 2033 2046 2034 0 5534 119.676 0.739 8.370 2 U 2.890e+04 0.00e+00 e 0 2033 2048 2034 0 5535 119.676 7.719 8.370 2 U 1.770e+04 0.00e+00 e 0 2033 2055 2034 0 5537 119.921 7.719 7.719 3 U 1.000e+06 0.00e+00 e 0 2054 2055 2055 0 5538 119.921 3.812 7.719 2 U 2.050e+03 0.00e+00 e 0 2054 1985 2055 0 5539 119.921 4.299 7.719 2 U 7.260e+03 0.00e+00 e 0 2054 2010 2055 0 5540 119.921 7.986 7.719 2 U 2.620e+03 0.00e+00 e 0 2054 2019 2055 0 5542 119.921 8.370 7.719 2 U 3.570e+04 0.00e+00 e 0 2054 2034 2055 0 5543 119.921 3.609 7.719 2 U 5.320e+03 0.00e+00 e 0 2054 2036 2055 0 5544 119.921 1.937 7.719 2 U 2.470e+04 0.00e+00 e 0 2054 2038 2055 0 5545 119.921 0.953 7.719 2 U 1.900e+04 0.00e+00 e 0 2054 2039 2055 0 5546 119.921 0.963 7.719 2 U 5.900e+03 0.00e+00 e 0 2054 2045 2055 0 5547 119.921 1.930 7.719 2 U 1.090e+04 0.00e+00 e 0 2054 2046 2055 0 5548 119.921 0.739 7.719 2 U 5.730e+03 0.00e+00 e 0 2054 2048 2055 0 5549 119.921 4.249 7.719 2 U 3.760e+04 0.00e+00 e 0 2054 2057 2055 0 5550 119.921 1.505 7.719 2 U 1.280e+05 0.00e+00 e 0 2054 2058 2055 0 5551 119.921 7.449 7.719 2 U 2.380e+04 0.00e+00 e 0 2054 2065 2055 0 5553 118.439 7.449 7.449 3 U 1.000e+06 0.00e+00 e 0 2064 2065 2065 0 5554 118.439 4.299 7.449 2 U 4.370e+03 0.00e+00 e 0 2064 2010 2065 0 5555 118.439 4.056 7.449 2 U 1.980e+03 0.00e+00 e 0 2064 2021 2065 0 5556 118.439 8.370 7.449 2 U 3.620e+03 0.00e+00 e 0 2064 2034 2065 0 5557 118.439 3.609 7.449 2 U 1.790e+03 0.00e+00 e 0 2064 2036 2065 0 5558 118.439 7.719 7.449 2 U 3.990e+04 0.00e+00 e 0 2064 2055 2065 0 5559 118.439 4.249 7.449 2 U 9.460e+03 0.00e+00 e 0 2064 2057 2065 0 5560 118.439 1.505 7.449 2 U 5.140e+04 0.00e+00 e 0 2064 2058 2065 0 5561 118.439 4.105 7.449 2 U 2.500e+04 0.00e+00 e 0 2064 2067 2065 0 5562 118.439 2.029 7.449 2 U 4.180e+04 0.00e+00 e 0 2064 2069 2065 0 5563 118.439 1.884 7.449 2 U 2.510e+04 0.00e+00 e 0 2064 2070 2065 0 5564 118.439 1.733 7.449 2 U 1.360e+04 0.00e+00 e 0 2064 2073 2065 0 5565 118.439 1.821 7.449 2 U 9.930e+03 0.00e+00 e 0 2064 2074 2065 0 5566 118.439 3.261 7.449 2 U 4.530e+03 0.00e+00 e 0 2064 2079 2065 0 5568 114.914 8.893 8.893 3 U 1.000e+06 0.00e+00 e 0 2090 2091 2091 0 5581 114.914 2.109 8.893 2 U 0.000e+00 0.00e+00 - 0 2090 2097 2091 0 6002 124.259 8.810 8.968 1 U 2.780e+03 0.00e+00 e 0 104 0 105 0 6011 118.961 1.065 7.905 1 U 1.140e+03 0.00e+00 e 0 126 0 127 0 6012 118.961 1.328 7.905 1 U 1.800e+03 0.00e+00 e 0 126 0 127 0 6014 117.546 0.970 8.517 1 U 5.980e+03 0.00e+00 e 0 141 115 142 0 6015 116.583 0.660 8.468 1 U 1.029e+03 0.00e+00 e 0 159 93 160 0 6021 116.583 5.199 8.468 1 U 2.410e+04 0.00e+00 e 0 159 166 160 0 6033 119.418 5.203 8.504 1 U 6.490e+03 0.00e+00 e 0 172 166 173 0 6036 116.583 9.814 8.468 1 U 7.710e+03 0.00e+00 e 0 159 888 160 0 6047 119.418 0.958 8.504 1 U 5.250e+03 0.00e+00 e 0 172 115 173 0 6050 119.418 1.543 8.504 1 U 4.060e+03 0.00e+00 e 0 172 237 173 0 6051 119.418 1.613 8.504 1 U 2.858e+03 0.00e+00 e 0 172 113 173 0 6054 110.144 2.198 6.697 1 U 0.000e+00 0.00e+00 - 0 200 253 202 0 6055 110.144 2.198 7.344 1 U 2.800e+03 0.00e+00 e 0 200 253 201 0 6056 110.144 1.245 7.344 1 U 9.000e+03 0.00e+00 e 0 200 265 201 0 6057 110.144 1.000 7.344 1 U 3.180e+04 0.00e+00 e 0 200 813 201 0 6062 110.144 1.237 6.697 1 U 6.590e+03 0.00e+00 e 0 200 265 202 0 6063 110.144 1.000 6.697 1 U 1.730e+04 0.00e+00 e 0 200 813 202 0 6097 119.394 0.353 8.044 1 U 2.100e+04 0.00e+00 e 0 223 1926 224 0 6104 118.982 1.680 7.699 1 U 1.090e+04 0.00e+00 e 0 244 0 245 0 6105 118.982 0.365 7.699 1 U 2.700e+03 0.00e+00 e 0 244 1926 245 0 6106 118.982 1.224 7.699 1 U 7.940e+03 0.00e+00 e 0 244 265 245 0 6122 119.495 3.071 8.410 1 U 2.263e+03 0.00e+00 e 0 834 875 835 0 6128 123.067 7.446 8.598 1 U 1.070e+04 0.00e+00 e 0 277 1391 278 0 6133 123.067 2.162 8.598 1 U 3.520e+03 0.00e+00 e 0 277 250 278 0 6134 123.067 0.991 8.598 1 U 7.348e+03 0.00e+00 e 0 277 1867 278 0 6144 117.931 1.718 8.850 1 U 7.690e+03 0.00e+00 e 0 287 1866 288 0 6145 117.931 0.987 8.850 1 U 7.810e+03 0.00e+00 e 0 287 1867 288 0 6146 117.931 0.793 8.850 1 U 1.060e+04 0.00e+00 e 0 287 229 288 0 6156 117.931 0.880 8.850 1 U 2.510e+03 0.00e+00 e 0 287 1868 288 0 6158 125.312 0.729 8.549 1 U 6.860e+03 0.00e+00 e 0 334 1453 335 0 6159 110.293 0.735 8.645 1 U 5.630e+03 0.00e+00 e 0 327 1453 328 0 6182 117.483 1.690 7.541 1 U 1.250e+03 0.00e+00 e 0 404 361 405 0 6222 120.933 7.530 7.255 1 U 3.890e+03 0.00e+00 e 0 642 0 643 0 6223 120.933 8.410 7.255 1 U 3.018e+03 0.00e+00 e 0 642 664 643 0 6225 118.830 2.944 8.401 1 U 5.391e+03 0.00e+00 e 0 663 700 664 0 6226 118.830 3.320 8.401 1 U 1.603e+03 0.00e+00 e 0 663 701 664 0 6243 119.472 2.563 6.791 1 U 2.840e+03 0.00e+00 e 0 704 645 705 0 6252 119.472 0.906 6.791 1 U 5.680e+03 0.00e+00 e 0 704 0 705 0 6258 120.490 3.638 8.384 1 U 3.673e+03 0.00e+00 e 0 714 666 715 0 6264 120.490 2.059 8.384 1 U 1.160e+04 0.00e+00 e 0 714 0 715 0 6265 120.490 1.626 8.384 1 U 0.000e+00 0.00e+00 - 0 714 693 715 0 6269 120.490 0.833 8.384 1 U 2.351e+03 0.00e+00 e 0 714 1471 715 0 6272 118.381 0.813 8.408 1 U 5.020e+03 0.00e+00 e 0 732 0 733 0 6274 118.381 1.206 8.408 1 U 0.000e+00 0.00e+00 - 0 732 0 733 0 6275 118.381 1.590 8.408 1 U 9.070e+03 0.00e+00 e 0 732 0 733 0 6276 118.381 1.751 8.408 1 U 4.650e+03 0.00e+00 e 0 732 0 733 0 6277 118.381 4.285 8.408 1 U 5.746e+03 0.00e+00 e 0 732 691 733 0 6282 112.550 1.306 6.721 1 U 7.110e+03 0.00e+00 e 0 771 708 773 0 6283 117.996 2.439 7.697 1 U 5.830e+02 0.00e+00 e 0 762 0 763 0 6284 117.996 1.314 7.697 1 U 0.000e+00 0.00e+00 - 0 762 708 763 0 6285 117.996 1.009 7.697 1 U 3.350e+03 0.00e+00 e 0 762 813 763 0 6286 117.996 0.850 7.697 1 U 8.730e+03 0.00e+00 e 0 762 0 763 0 6287 112.550 0.810 6.721 1 U 7.371e+03 0.00e+00 e 0 771 1471 773 0 6289 112.550 0.780 7.493 1 U 2.583e+03 0.00e+00 e 0 771 266 772 0 6290 117.591 7.314 7.314 1 U 7.310e+02 0.00e+00 e 0 787 788 788 0 6291 124.029 2.151 8.815 1 U 4.023e+03 0.00e+00 e 0 776 794 777 0 6292 124.029 2.322 8.815 1 U 1.200e+03 0.00e+00 e 0 776 796 777 0 6293 124.029 2.056 8.815 1 U 3.040e+03 0.00e+00 e 0 776 1414 777 0 6294 124.029 1.014 8.815 1 U 8.020e+03 0.00e+00 e 0 776 1416 777 0 6298 124.029 0.886 8.815 1 U 1.650e+04 0.00e+00 e 0 776 1415 777 0 6300 117.591 1.591 7.314 1 U 3.710e+03 0.00e+00 e 0 787 838 788 0 6319 118.894 2.046 8.615 1 U 6.540e+03 0.00e+00 e 0 824 0 825 0 6330 124.029 1.634 9.268 1 U 5.475e+03 0.00e+00 e 0 870 828 871 0 6331 124.029 1.527 9.268 1 U 8.760e+03 0.00e+00 e 0 870 898 871 0 6336 124.029 0.958 9.268 1 U 1.693e+03 0.00e+00 e 0 870 812 871 0 6337 124.029 0.318 9.268 1 U 2.440e+03 0.00e+00 e 0 870 217 871 0 6338 128.437 8.472 9.822 1 U 4.670e+03 0.00e+00 e 0 883 160 888 0 6340 128.437 5.197 9.822 1 U 9.390e+03 0.00e+00 e 0 883 166 888 0 6341 128.437 4.481 9.822 1 U 2.620e+03 0.00e+00 e 0 883 164 888 0 6342 128.437 3.555 9.822 1 U 8.500e+03 0.00e+00 e 0 883 162 888 0 6343 128.437 1.209 9.822 1 U 7.763e+03 0.00e+00 e 0 883 165 888 0 6344 128.437 0.980 9.822 1 U 1.470e+04 0.00e+00 e 0 883 1970 888 0 6345 128.437 0.660 9.822 1 U 8.570e+03 0.00e+00 e 0 883 93 888 0 6346 128.437 0.020 9.822 1 U 6.580e+03 0.00e+00 e 0 883 1925 888 0 6362 120.757 2.103 8.812 1 U 2.430e+03 0.00e+00 e 0 894 910 895 0 6366 120.757 7.503 8.812 1 U 7.164e+03 0.00e+00 e 0 894 885 895 0 6374 114.850 8.366 7.462 1 U 2.230e+03 0.00e+00 e 0 904 937 905 0 6377 114.850 3.480 7.462 1 U 6.920e+03 0.00e+00 e 0 904 0 905 0 6382 114.850 0.843 7.462 1 U 2.740e+03 0.00e+00 e 0 904 946 905 0 6383 114.850 0.610 7.462 1 U 1.510e+03 0.00e+00 e 0 904 0 905 0 6384 114.850 0.334 7.462 1 U 2.020e+03 0.00e+00 e 0 904 930 905 0 6402 127.422 0.575 8.953 1 U 2.710e+03 0.00e+00 e 0 926 92 927 0 6403 127.422 0.660 8.953 1 U 8.220e+03 0.00e+00 e 0 926 93 927 0 6410 106.019 1.486 7.651 1 U 1.820e+03 0.00e+00 e 0 919 0 920 0 6412 127.422 1.497 8.953 1 U 1.670e+03 0.00e+00 e 0 926 898 927 0 6413 127.422 1.332 8.953 1 U 1.710e+03 0.00e+00 e 0 926 1280 927 0 6418 106.019 0.660 7.651 1 U 3.670e+03 0.00e+00 e 0 919 93 920 0 6419 106.019 0.346 7.651 1 U 2.430e+03 0.00e+00 e 0 919 930 920 0 6423 116.840 7.503 8.370 1 U 2.120e+03 0.00e+00 e 0 936 996 937 0 6425 116.840 1.518 8.370 1 U 2.950e+03 0.00e+00 e 0 936 898 937 0 6426 116.840 2.079 8.370 1 U 2.420e+03 0.00e+00 e 0 936 964 937 0 6440 116.840 0.749 8.370 1 U 1.500e+04 0.00e+00 e 0 936 1274 937 0 6441 116.840 0.565 8.370 1 U 4.500e+03 0.00e+00 e 0 936 1283 937 0 6443 119.023 1.644 7.313 1 U 1.080e+03 0.00e+00 e 0 958 0 959 0 6449 119.023 0.729 7.313 1 U 1.460e+03 0.00e+00 e 0 958 0 959 0 6450 119.023 0.583 7.313 1 U 1.460e+03 0.00e+00 e 0 958 0 959 0 6456 120.757 0.585 7.701 1 U 1.670e+03 0.00e+00 e 0 973 92 974 0 6457 120.757 0.946 7.701 1 U 1.220e+03 0.00e+00 e 0 973 0 974 0 6480 110.700 0.583 7.515 1 U 5.020e+03 0.00e+00 e 0 995 1283 996 0 6497 121.077 1.032 7.517 1 U 6.655e+03 0.00e+00 e 0 1016 1047 1017 0 6501 121.077 7.764 7.517 1 U 7.600e+03 0.00e+00 e 0 1016 0 1017 0 6504 118.317 4.006 7.984 1 U 3.840e+03 0.00e+00 e 0 1059 976 1060 0 6505 118.317 4.073 7.984 1 U 2.040e+03 0.00e+00 e 0 1059 1019 1060 0 6515 118.317 1.656 7.984 1 U 1.780e+04 0.00e+00 e 0 1059 0 1060 0 6527 115.403 8.897 6.955 1 U 1.170e+04 0.00e+00 e 0 1175 0 1176 0 6531 115.403 4.111 6.955 1 U 1.758e+03 0.00e+00 e 0 1175 1957 1176 0 6547 115.403 0.684 6.955 1 U 2.760e+03 0.00e+00 e 0 1175 1136 1176 0 6548 115.403 1.387 6.955 1 U 2.650e+03 0.00e+00 e 0 1175 1958 1176 0 6549 115.403 1.186 6.955 1 U 1.690e+03 0.00e+00 e 0 1175 1971 1176 0 6550 115.403 1.079 6.955 1 U 1.640e+03 0.00e+00 e 0 1175 1132 1176 0 6554 115.403 2.053 6.955 1 U 3.280e+04 0.00e+00 e 0 1175 0 1176 0 6555 115.403 2.128 6.955 1 U 2.290e+04 0.00e+00 e 0 1175 0 1176 0 6570 120.599 2.450 7.867 1 U 2.570e+03 0.00e+00 e 0 1193 1259 1194 0 6571 120.599 2.296 7.867 1 U 1.860e+04 0.00e+00 e 0 1193 1255 1194 0 6572 120.599 2.189 7.867 1 U 1.280e+04 0.00e+00 e 0 1193 1256 1194 0 6573 120.599 0.689 7.867 1 U 1.220e+03 0.00e+00 e 0 1193 1010 1194 0 6574 120.599 0.567 7.867 1 U 1.290e+03 0.00e+00 e 0 1193 1283 1194 0 6576 110.029 6.808 6.939 1 U 9.230e+03 0.00e+00 e 0 1263 1888 1265 0 6577 110.029 6.811 7.574 1 U 2.490e+03 0.00e+00 e 0 1263 1888 1264 0 6592 120.627 0.977 7.530 1 U 4.370e+03 0.00e+00 e 0 1268 1182 1269 0 6593 120.627 1.238 7.530 1 U 7.140e+03 0.00e+00 e 0 1268 1908 1269 0 6608 117.546 2.015 8.340 1 U 7.230e+03 0.00e+00 e 0 1289 0 1290 0 6609 117.546 1.518 8.340 1 U 8.050e+03 0.00e+00 e 0 1289 1308 1290 0 6613 117.546 0.828 8.340 1 U 6.130e+03 0.00e+00 e 0 1289 946 1290 0 6620 118.573 7.124 7.393 1 U 1.310e+03 0.00e+00 e 0 1304 0 1305 0 6636 116.776 1.226 7.620 1 U 7.500e+03 0.00e+00 e 0 1314 1908 1315 0 6637 116.776 0.768 7.620 1 U 3.420e+03 0.00e+00 e 0 1314 1274 1315 0 6643 116.776 2.087 7.620 1 U 4.000e+03 0.00e+00 e 0 1314 1296 1315 0 6657 116.776 7.032 7.620 1 U 3.950e+03 0.00e+00 e 0 1314 889 1315 0 6661 119.537 8.102 8.566 1 U 2.470e+03 0.00e+00 e 0 1332 0 1333 0 6665 115.492 8.063 8.348 1 U 3.240e+03 0.00e+00 e 0 1357 0 1358 0 6669 111.913 3.727 8.019 1 U 3.220e+03 0.00e+00 e 0 1377 1317 1378 0 6670 111.913 3.727 6.978 1 U 1.120e+03 0.00e+00 e 0 1377 1317 1379 0 6671 111.913 1.517 8.019 1 U 1.010e+04 0.00e+00 e 0 1377 1308 1378 0 6672 111.913 1.521 6.978 1 U 2.100e+03 0.00e+00 e 0 1377 1308 1379 0 6673 111.913 1.051 8.019 1 U 3.490e+03 0.00e+00 e 0 1377 1846 1378 0 6674 111.913 0.558 8.019 1 U 1.760e+03 0.00e+00 e 0 1377 1320 1378 0 6677 118.252 1.529 7.686 1 U 1.330e+03 0.00e+00 e 0 1368 1308 1369 0 6678 118.252 1.071 7.686 1 U 1.940e+03 0.00e+00 e 0 1368 1846 1369 0 6685 121.437 2.081 9.623 1 U 2.960e+03 0.00e+00 e 0 1382 1434 1383 0 6686 121.437 1.948 9.623 1 U 1.100e+03 0.00e+00 e 0 1382 0 1383 0 6687 121.437 1.580 9.623 1 U 1.008e+03 0.00e+00 e 0 1382 0 1383 0 6694 121.437 1.059 9.623 1 U 1.100e+04 0.00e+00 e 0 1382 1846 1383 0 6695 121.437 0.852 9.623 1 U 5.150e+03 0.00e+00 e 0 1382 1845 1383 0 6696 121.437 0.558 9.623 1 U 9.150e+03 0.00e+00 e 0 1382 1320 1383 0 6697 121.437 -0.148 9.623 1 U 1.340e+03 0.00e+00 e 0 1382 0 1383 0 6724 121.526 0.673 7.659 1 U 2.080e+03 0.00e+00 e 0 1427 0 1428 0 6725 121.526 0.571 7.659 1 U 2.300e+03 0.00e+00 e 0 1427 1795 1428 0 6730 121.654 0.658 8.104 1 U 7.750e+03 0.00e+00 e 0 1442 1786 1443 0 6731 121.654 0.563 8.104 1 U 8.860e+03 0.00e+00 e 0 1442 1795 1443 0 6732 121.654 0.295 8.104 1 U 1.820e+03 0.00e+00 e 0 1442 1470 1443 0 6760 118.381 3.972 8.216 1 U 1.230e+03 0.00e+00 e 0 1464 0 1465 0 6778 117.483 7.073 8.684 1 U 6.030e+03 0.00e+00 e 0 1522 1730 1523 0 6779 117.483 7.740 8.684 1 U 2.700e+03 0.00e+00 e 0 1522 1556 1523 0 6780 111.302 7.547 7.547 1 U 1.150e+05 0.00e+00 e 0 1517 1518 1518 0 6781 111.302 6.832 7.547 1 U 1.150e+05 0.00e+00 e 0 1517 1519 1518 0 6782 111.302 6.832 6.834 1 U 0.000e+00 0.00e+00 - 0 1517 1519 1519 0 6783 111.302 7.547 6.834 1 U 1.330e+05 0.00e+00 e 0 1517 1518 1519 0 6793 111.302 2.382 7.547 1 U 2.660e+04 0.00e+00 e 0 1517 1515 1518 0 6794 111.302 2.272 7.547 1 U 3.850e+03 0.00e+00 e 0 1517 0 1518 0 6795 111.302 2.059 7.547 1 U 6.600e+03 0.00e+00 e 0 1517 0 1518 0 6796 111.302 2.375 6.834 1 U 1.520e+04 0.00e+00 e 0 1517 1515 1519 0 6797 111.302 2.272 6.834 1 U 7.430e+03 0.00e+00 e 0 1517 0 1519 0 6798 111.302 2.059 6.834 1 U 7.980e+03 0.00e+00 e 0 1517 0 1519 0 6801 114.882 2.947 9.351 1 U 8.010e+03 0.00e+00 e 0 1504 0 1505 0 6802 117.483 2.063 8.684 1 U 1.820e+03 0.00e+00 e 0 1522 0 1523 0 6803 116.006 8.601 7.330 1 U 3.280e+03 0.00e+00 e 0 1532 1574 1533 0 6804 116.006 6.398 7.330 1 U 6.281e+03 0.00e+00 e 0 1532 1540 1533 0 6805 116.006 6.138 7.330 1 U 1.184e+03 0.00e+00 e 0 1532 1541 1533 0 6811 116.006 0.859 7.330 1 U 8.410e+03 0.00e+00 e 0 1532 1562 1533 0 6812 116.006 0.547 7.330 1 U 1.730e+03 0.00e+00 e 0 1532 0 1533 0 6827 110.550 4.197 7.733 1 U 9.190e+03 0.00e+00 e 0 1555 1507 1556 0 6828 114.529 4.191 8.601 1 U 7.460e+03 0.00e+00 e 0 1573 1507 1574 0 6837 114.529 6.421 8.601 1 U 2.580e+03 0.00e+00 e 0 1573 389 1574 0 6838 114.529 6.238 8.601 1 U 3.550e+03 0.00e+00 e 0 1573 390 1574 0 6844 118.188 4.186 8.344 1 U 4.720e+03 0.00e+00 e 0 1590 1507 1591 0 6845 118.188 4.067 8.344 1 U 1.135e+03 0.00e+00 e 0 1590 0 1591 0 6850 118.188 0.856 8.344 1 U 1.600e+04 0.00e+00 e 0 1590 1562 1591 0 6853 118.188 1.048 8.344 1 U 2.680e+03 0.00e+00 e 0 1590 1613 1591 0 6880 119.079 0.899 8.255 1 U 3.340e+03 0.00e+00 e 0 1721 1622 1722 0 6881 119.079 1.041 8.255 1 U 3.920e+03 0.00e+00 e 0 1721 1613 1722 0 6888 121.719 0.969 8.497 1 U 2.110e+03 0.00e+00 e 0 1744 0 1745 0 6889 121.719 4.271 8.497 1 U 3.880e+03 0.00e+00 e 0 1744 0 1745 0 6921 117.931 1.474 7.927 1 U 4.460e+03 0.00e+00 e 0 1801 1451 1802 0 6922 117.931 1.665 7.927 1 U 3.240e+03 0.00e+00 e 0 1801 338 1802 0 6923 117.931 3.260 7.927 1 U 2.700e+04 0.00e+00 e 0 1801 1808 1802 0 6951 122.104 0.973 8.291 1 U 4.970e+03 0.00e+00 e 0 1839 1867 1840 0 6952 122.104 0.693 8.291 1 U 1.330e+04 0.00e+00 e 0 1839 1452 1840 0 6985 116.519 1.342 7.800 1 U 1.110e+04 0.00e+00 e 0 1902 1321 1903 0 6986 116.519 1.634 7.800 1 U 5.710e+03 0.00e+00 e 0 1902 1924 1903 0 7001 121.012 1.338 8.509 1 U 5.660e+03 0.00e+00 e 0 1915 1321 1916 0 7006 116.261 2.051 8.438 1 U 1.642e+03 0.00e+00 e 0 1937 1988 1938 0 7007 116.261 1.397 8.438 1 U 4.880e+03 0.00e+00 e 0 1937 1958 1938 0 7010 116.261 0.211 8.438 1 U 2.730e+03 0.00e+00 e 0 1937 238 1938 0 7021 122.938 1.318 7.921 1 U 6.260e+03 0.00e+00 e 0 1954 0 1955 0 7022 122.938 1.187 7.921 1 U 3.243e+03 0.00e+00 e 0 1954 1971 1955 0 7023 122.938 2.519 7.921 1 U 1.198e+03 0.00e+00 e 0 1954 1969 1955 0 7024 122.938 0.958 7.921 1 U 4.466e+03 0.00e+00 e 0 1954 1182 1955 0 7027 122.938 0.775 7.921 1 U 4.910e+02 0.00e+00 e 0 1954 1181 1955 0 7037 118.958 7.033 8.303 1 U 1.560e+03 0.00e+00 e 0 1964 0 1965 0 7050 118.958 2.059 8.303 1 U 3.750e+03 0.00e+00 e 0 1964 1988 1965 0 7060 118.958 0.773 8.303 1 U 7.960e+03 0.00e+00 e 0 1964 1181 1965 0 7061 118.958 0.584 8.303 1 U 1.200e+03 0.00e+00 e 0 1964 0 1965 0 7096 120.757 2.526 7.986 1 U 0.000e+00 0.00e+00 - 0 2018 0 2019 0 7097 120.757 1.963 7.986 1 U 5.450e+03 0.00e+00 e 0 2018 0 2019 0 7098 120.757 1.878 7.986 1 U 3.200e+03 0.00e+00 e 0 2018 2070 2019 0 7101 120.757 0.962 7.986 1 U 5.540e+03 0.00e+00 e 0 2018 0 2019 0 7102 120.757 0.730 7.986 1 U 3.140e+03 0.00e+00 e 0 2018 0 2019 0 7120 119.676 1.836 8.370 1 U 8.200e+03 0.00e+00 e 0 2033 0 2034 0 7123 119.921 1.397 7.719 1 U 8.110e+03 0.00e+00 e 0 2054 0 2055 0 7124 119.921 0.834 7.719 1 U 4.730e+03 0.00e+00 e 0 2054 0 2055 0 7126 114.914 6.968 8.893 1 U 2.490e+03 0.00e+00 e 0 2090 0 2091 0 7180 117.931 1.681 8.850 1 U 2.940e+03 0.00e+00 e 0 287 338 288 0 7183 117.483 6.321 7.541 1 U 1.246e+03 0.00e+00 e 0 404 0 405 0 7194 112.550 0.779 6.721 1 U 5.491e+03 0.00e+00 e 0 771 266 773 0 7195 112.550 0.806 7.493 1 U 2.616e+03 0.00e+00 e 0 771 1471 772 0 7208 128.437 1.195 9.822 1 U 6.391e+03 0.00e+00 e 0 883 1971 888 0 7209 128.437 1.222 9.822 1 U 3.698e+03 0.00e+00 e 0 883 216 888 0 7210 116.006 0.913 7.330 1 U 3.650e+03 0.00e+00 e 0 1532 1561 1533 0 7211 118.188 0.913 8.344 1 U 2.709e+03 0.00e+00 e 0 1590 1561 1591 0 7235 118.317 7.532 7.984 1 U 1.703e+03 0.00e+00 e 0 1059 1017 1060 0 7336 121.437 1.522 9.623 1 U 9.060e+02 0.00e+00 e 0 1382 0 1383 0 7337 111.913 3.979 6.978 1 U 1.393e+03 0.00e+00 e 0 1377 0 1379 0 7338 111.913 4.059 6.978 1 U 1.078e+03 0.00e+00 e 0 1377 0 1379 0 7339 111.913 9.623 8.019 1 U 1.866e+03 0.00e+00 e 0 1377 1383 1378 0 7472 121.012 0.853 8.509 1 U 3.684e+03 0.00e+00 e 0 1915 1845 1916 0 7494 118.961 0.750 7.905 1 U 0.000e+00 0.00e+00 - 0 126 0 127 0 7502 120.445 0.986 8.138 1 U 4.245e+03 0.00e+00 e 0 187 0 188 0 7503 118.510 0.016 8.115 1 U 0.000e+00 0.00e+00 - 0 205 0 206 0 7515 123.067 0.731 8.598 1 U 2.992e+03 0.00e+00 e 0 277 0 278 0 7533 120.627 1.205 8.225 1 U 1.644e+04 0.00e+00 e 0 1982 165 1983 0 7540 118.510 1.000 8.115 1 U 1.691e+04 0.00e+00 e 0 205 813 206 0 7542 119.394 0.974 8.044 1 U 0.000e+00 0.00e+00 - 0 223 0 224 0 7631 118.830 3.976 8.401 1 U 1.623e+03 0.00e+00 e 0 663 594 664 0 7635 118.830 3.917 8.401 1 U 0.000e+00 0.00e+00 - 0 663 0 664 0 7639 120.933 3.927 7.255 1 U 1.810e+03 0.00e+00 e 0 642 571 643 0 # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 C #INAME 2 H #INAME 3 HC #CYANAFORMAT ChH 2 58.511 8.968 3.968 2 U -1.780e+03 0.00e+00 e 0 106 105 107 0 3 58.511 3.968 3.968 3 U 1.000e+06 0.00e+00 e 0 106 107 107 0 4 58.511 1.641 3.968 2 U -8.100e+03 0.00e+00 e 0 106 109 107 0 5 58.511 1.912 3.968 2 U 0.000e+00 0.00e+00 - 0 106 110 107 0 6 58.511 1.618 3.968 2 U 0.000e+00 0.00e+00 - 0 106 113 107 0 7 58.511 0.940 3.968 2 U -5.730e+03 0.00e+00 e 0 106 114 107 0 8 58.511 0.967 3.968 2 U -5.700e+03 0.00e+00 e 0 106 115 107 0 10 58.511 8.468 3.968 2 U -1.800e+03 0.00e+00 e 0 106 160 107 0 11 58.511 4.493 3.968 2 U 0.000e+00 0.00e+00 - 0 106 164 107 0 13 40.994 3.968 1.641 2 U 4.310e+03 0.00e+00 e 0 108 107 109 0 14 40.994 1.641 1.641 3 U 1.000e+06 0.00e+00 e 0 108 109 109 0 15 40.994 1.912 1.641 2 U 1.140e+04 0.00e+00 e 0 108 110 109 0 16 40.994 1.618 1.641 2 U 0.000e+00 0.00e+00 - 0 108 113 109 0 17 40.994 0.940 1.641 2 U 3.580e+03 0.00e+00 e 0 108 114 109 0 18 40.994 0.967 1.641 2 U 7.180e+03 0.00e+00 e 0 108 115 109 0 19 40.994 7.905 1.641 2 U 0.000e+00 0.00e+00 - 0 108 127 109 0 22 40.994 1.641 1.912 2 U 8.400e+03 0.00e+00 e 0 108 109 110 0 23 40.994 1.912 1.912 3 U 1.000e+06 0.00e+00 e 0 108 110 110 0 24 40.994 1.618 1.912 2 U 7.560e+03 0.00e+00 e 0 108 113 110 0 25 40.994 0.940 1.912 2 U 5.470e+03 0.00e+00 e 0 108 114 110 0 26 40.994 0.967 1.912 2 U 7.670e+03 0.00e+00 e 0 108 115 110 0 27 40.994 7.905 1.912 2 U 8.880e+02 0.00e+00 e 0 108 127 110 0 29 26.770 3.968 1.618 2 U 5.720e+03 0.00e+00 e 0 112 107 113 0 30 26.770 1.641 1.618 2 U 0.000e+00 0.00e+00 - 0 112 109 113 0 31 26.770 1.912 1.618 2 U 9.540e+03 0.00e+00 e 0 112 110 113 0 32 26.770 1.618 1.618 3 U 1.000e+06 0.00e+00 e 0 112 113 113 0 33 26.770 0.940 1.618 2 U 4.590e+03 0.00e+00 e 0 112 114 113 0 34 26.770 0.967 1.618 2 U 0.000e+00 0.00e+00 - 0 112 115 113 0 37 25.464 3.968 0.940 2 U 7.890e+03 0.00e+00 e 0 116 107 114 0 38 25.464 1.641 0.940 2 U 1.300e+04 0.00e+00 e 0 116 109 114 0 39 25.464 1.912 0.940 2 U 2.280e+04 0.00e+00 e 0 116 110 114 0 40 25.464 1.618 0.940 2 U 4.640e+04 0.00e+00 e 0 116 113 114 0 41 25.464 0.940 0.940 3 U 1.000e+06 0.00e+00 e 0 116 114 114 0 42 25.464 0.967 0.940 2 U 1.060e+05 0.00e+00 e 0 116 115 114 0 43 25.464 7.905 0.940 2 U 1.140e+03 0.00e+00 e 0 116 127 114 0 44 22.984 8.968 0.967 2 U 1.040e+03 0.00e+00 e 0 120 105 115 0 45 22.984 3.968 0.967 2 U 7.790e+04 0.00e+00 e 0 120 107 115 0 46 22.984 1.641 0.967 2 U 2.070e+04 0.00e+00 e 0 120 109 115 0 47 22.984 1.912 0.967 2 U 3.960e+04 0.00e+00 e 0 120 110 115 0 48 22.984 1.618 0.967 2 U 5.480e+04 0.00e+00 e 0 120 113 115 0 49 22.984 0.940 0.967 2 U 2.250e+05 0.00e+00 e 0 120 114 115 0 50 22.984 0.967 0.967 3 U 1.000e+06 0.00e+00 e 0 120 115 115 0 51 22.984 7.905 0.967 2 U 2.170e+03 0.00e+00 e 0 120 127 115 0 52 59.505 7.905 4.039 2 U -5.200e+03 0.00e+00 e 0 128 127 129 0 53 59.505 4.039 4.039 3 U 1.000e+06 0.00e+00 e 0 128 129 129 0 54 59.505 2.049 4.039 2 U -1.799e+04 0.00e+00 e 0 128 131 129 0 55 59.505 2.306 4.039 2 U -1.330e+04 0.00e+00 e 0 128 132 129 0 56 59.505 2.289 4.039 2 U -1.350e+04 0.00e+00 e 0 128 135 129 0 57 59.505 2.404 4.039 2 U -1.170e+04 0.00e+00 e 0 128 136 129 0 58 59.505 8.517 4.039 2 U -7.270e+03 0.00e+00 e 0 128 142 129 0 59 59.505 8.504 4.039 2 U -6.690e+03 0.00e+00 e 0 128 173 129 0 60 59.505 2.081 4.039 2 U -7.376e+03 0.00e+00 e 0 128 177 129 0 61 59.505 1.974 4.039 2 U -7.400e+03 0.00e+00 e 0 128 178 129 0 62 29.169 7.905 2.049 2 U 4.660e+03 0.00e+00 e 0 130 127 131 0 63 29.169 4.039 2.049 2 U 7.460e+03 0.00e+00 e 0 130 129 131 0 64 29.169 2.049 2.049 3 U 1.000e+06 0.00e+00 e 0 130 131 131 0 65 29.169 2.306 2.049 2 U 0.000e+00 0.00e+00 - 0 130 132 131 0 66 29.169 2.289 2.049 2 U 6.000e+03 0.00e+00 e 0 130 135 131 0 67 29.169 2.404 2.049 2 U 2.610e+04 0.00e+00 e 0 130 136 131 0 68 29.169 8.517 2.049 2 U 3.920e+03 0.00e+00 e 0 130 142 131 0 69 29.169 7.905 2.306 2 U 2.820e+03 0.00e+00 e 0 130 127 132 0 70 29.169 4.039 2.306 2 U 6.460e+03 0.00e+00 e 0 130 129 132 0 71 29.169 2.049 2.306 2 U 9.260e+04 0.00e+00 e 0 130 131 132 0 72 29.169 2.306 2.306 3 U 1.000e+06 0.00e+00 e 0 130 132 132 0 73 29.169 2.289 2.306 2 U 1.000e+04 0.00e+00 e 0 130 135 132 0 74 29.169 2.404 2.306 2 U 9.200e+03 0.00e+00 e 0 130 136 132 0 75 29.169 8.517 2.306 2 U 1.230e+03 0.00e+00 e 0 130 142 132 0 76 36.849 7.905 2.289 2 U 9.796e+03 0.00e+00 e 0 134 127 135 0 77 36.849 4.039 2.289 2 U 8.130e+03 0.00e+00 e 0 134 129 135 0 78 36.849 2.049 2.289 2 U 1.060e+04 0.00e+00 e 0 134 131 135 0 79 36.849 2.306 2.289 2 U 0.000e+00 0.00e+00 - 0 134 132 135 0 80 36.849 2.289 2.289 3 U 1.000e+06 0.00e+00 e 0 134 135 135 0 81 36.849 2.404 2.289 2 U 3.040e+04 0.00e+00 e 0 134 136 135 0 82 36.849 8.517 2.289 2 U 1.000e+03 0.00e+00 e 0 134 142 135 0 83 36.849 7.905 2.404 2 U 4.170e+03 0.00e+00 e 0 134 127 136 0 84 36.849 4.039 2.404 2 U 9.980e+03 0.00e+00 e 0 134 129 136 0 85 36.849 2.049 2.404 2 U 2.051e+04 0.00e+00 e 0 134 131 136 0 86 36.849 2.306 2.404 2 U 6.000e+03 0.00e+00 e 0 134 132 136 0 87 36.849 2.289 2.404 2 U 0.000e+00 0.00e+00 - 0 134 135 136 0 88 36.849 2.404 2.404 3 U 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4.031 2.420 2 U 1.830e+03 0.00e+00 e 0 149 144 150 0 109 32.870 2.518 2.420 2 U 0.000e+00 0.00e+00 - 0 149 148 150 0 110 32.870 2.420 2.420 3 U 1.000e+06 0.00e+00 e 0 149 150 150 0 111 32.870 2.783 2.420 2 U 1.260e+04 0.00e+00 e 0 149 151 150 0 112 32.870 2.002 2.420 2 U 9.250e+03 0.00e+00 e 0 149 153 150 0 114 32.870 8.517 2.783 2 U 2.460e+03 0.00e+00 e 0 149 142 151 0 115 32.870 4.031 2.783 2 U 0.000e+00 0.00e+00 - 0 149 144 151 0 116 32.870 2.518 2.783 2 U 5.810e+03 0.00e+00 e 0 149 148 151 0 117 32.870 2.420 2.783 2 U 1.410e+04 0.00e+00 e 0 149 150 151 0 118 32.870 2.783 2.783 3 U 1.000e+06 0.00e+00 e 0 149 151 151 0 119 32.870 2.002 2.783 2 U 6.910e+03 0.00e+00 e 0 149 153 151 0 121 17.582 8.517 2.002 2 U -1.700e+04 0.00e+00 e 0 154 142 153 0 122 17.582 4.031 2.002 2 U -5.540e+03 0.00e+00 e 0 154 144 153 0 123 17.582 2.518 2.002 2 U -1.680e+04 0.00e+00 e 0 154 148 153 0 124 17.582 2.420 2.002 2 U -2.740e+04 0.00e+00 e 0 154 150 153 0 125 17.582 2.783 2.002 2 U -2.780e+04 0.00e+00 e 0 154 151 153 0 126 17.582 2.002 2.002 3 U 1.000e+06 0.00e+00 e 0 154 153 153 0 127 17.582 8.468 2.002 2 U -5.860e+03 0.00e+00 e 0 154 160 153 0 128 67.205 8.468 3.552 2 U -3.670e+03 0.00e+00 e 0 161 160 162 0 129 67.205 3.552 3.552 3 U 1.000e+06 0.00e+00 e 0 161 162 162 0 130 67.205 4.493 3.552 2 U 0.000e+00 0.00e+00 - 0 161 164 162 0 131 67.205 1.203 3.552 2 U -1.520e+04 0.00e+00 e 0 161 165 162 0 132 67.205 8.504 3.552 2 U -8.790e+02 0.00e+00 e 0 161 173 162 0 133 67.205 8.115 3.552 2 U -9.780e+02 0.00e+00 e 0 161 206 162 0 134 67.205 1.196 3.552 2 U -1.140e+04 0.00e+00 e 0 161 210 162 0 135 67.205 1.610 3.552 2 U -4.010e+03 0.00e+00 e 0 161 211 162 0 136 68.461 3.968 4.493 2 U -2.540e+03 0.00e+00 e 0 163 107 164 0 137 68.461 8.468 4.493 2 U -1.790e+03 0.00e+00 e 0 163 160 164 0 139 68.461 4.493 4.493 3 U 1.000e+06 0.00e+00 e 0 163 164 164 0 140 68.461 1.203 4.493 2 U -4.410e+03 0.00e+00 e 0 163 165 164 0 141 68.461 8.504 4.493 2 U -1.260e+04 0.00e+00 e 0 163 173 164 0 142 22.622 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3.909 2.062 2 U 1.200e+04 0.00e+00 e 0 180 175 181 0 174 36.808 2.081 2.062 2 U 1.000e+04 0.00e+00 e 0 180 177 181 0 175 36.808 1.974 2.062 2 U 3.376e+04 0.00e+00 e 0 180 178 181 0 176 36.808 2.062 2.062 3 U 1.000e+06 0.00e+00 e 0 180 181 181 0 177 36.808 2.462 2.062 2 U 1.310e+05 0.00e+00 e 0 180 182 181 0 178 36.808 8.138 2.062 2 U 2.900e+03 0.00e+00 e 0 180 188 181 0 179 36.808 8.504 2.462 2 U 2.086e+04 0.00e+00 e 0 180 173 182 0 180 36.808 3.909 2.462 2 U 5.660e+03 0.00e+00 e 0 180 175 182 0 181 36.808 2.081 2.462 2 U 2.000e+04 0.00e+00 e 0 180 177 182 0 182 36.808 1.974 2.462 2 U 2.000e+03 0.00e+00 e 0 180 178 182 0 183 36.808 2.062 2.462 2 U 5.000e+04 0.00e+00 e 0 180 181 182 0 184 36.808 2.462 2.462 3 U 1.000e+06 0.00e+00 e 0 180 182 182 0 185 36.808 8.138 2.462 2 U 2.960e+03 0.00e+00 e 0 180 188 182 0 186 59.001 8.138 4.105 2 U -1.710e+04 0.00e+00 e 0 189 188 190 0 187 59.001 4.105 4.105 3 U 1.000e+06 0.00e+00 e 0 189 190 190 0 188 59.001 2.090 4.105 2 U -1.320e+04 0.00e+00 e 0 189 192 190 0 189 59.001 2.264 4.105 2 U 1.000e+04 0.00e+00 e 0 189 193 190 0 190 59.001 2.316 4.105 2 U -6.160e+03 0.00e+00 e 0 189 196 190 0 191 59.001 2.505 4.105 2 U -5.640e+03 0.00e+00 e 0 189 197 190 0 194 59.001 8.115 4.105 2 U -6.800e+03 0.00e+00 e 0 189 206 190 0 195 59.001 7.699 4.105 2 U -2.900e+03 0.00e+00 e 0 189 245 190 0 196 59.001 2.073 4.105 2 U 1.000e+03 0.00e+00 e 0 189 249 190 0 197 59.001 2.163 4.105 2 U 1.000e+03 0.00e+00 e 0 189 250 190 0 198 27.834 4.031 2.090 2 U 4.390e+03 0.00e+00 e 0 191 144 192 0 199 27.834 8.138 2.090 2 U 1.125e+04 0.00e+00 e 0 191 188 192 0 200 27.834 4.105 2.090 2 U 2.550e+04 0.00e+00 e 0 191 190 192 0 201 27.834 2.090 2.090 3 U 1.000e+06 0.00e+00 e 0 191 192 192 0 202 27.834 2.264 2.090 2 U 2.420e+04 0.00e+00 e 0 191 193 192 0 203 27.834 2.316 2.090 2 U 1.740e+04 0.00e+00 e 0 191 196 192 0 204 27.834 2.505 2.090 2 U 1.400e+04 0.00e+00 e 0 191 197 192 0 207 27.834 8.115 2.090 2 U 8.920e+03 0.00e+00 e 0 191 206 192 0 208 27.834 4.031 2.264 2 U 2.770e+03 0.00e+00 e 0 191 144 193 0 209 27.834 8.138 2.264 2 U 1.086e+04 0.00e+00 e 0 191 188 193 0 210 27.834 4.105 2.264 2 U 2.500e+04 0.00e+00 e 0 191 190 193 0 211 27.834 2.090 2.264 2 U 4.760e+04 0.00e+00 e 0 191 192 193 0 212 27.834 2.264 2.264 3 U 1.000e+06 0.00e+00 e 0 191 193 193 0 213 27.834 2.316 2.264 2 U 1.650e+04 0.00e+00 e 0 191 196 193 0 214 27.834 2.505 2.264 2 U 1.460e+04 0.00e+00 e 0 191 197 193 0 217 27.834 8.115 2.264 2 U 3.740e+03 0.00e+00 e 0 191 206 193 0 218 33.679 8.138 2.316 2 U 6.336e+03 0.00e+00 e 0 195 188 196 0 219 33.679 4.105 2.316 2 U 1.954e+04 0.00e+00 e 0 195 190 196 0 220 33.679 2.090 2.316 2 U 2.520e+04 0.00e+00 e 0 195 192 196 0 221 33.679 2.264 2.316 2 U 1.680e+04 0.00e+00 e 0 195 193 196 0 222 33.679 2.316 2.316 3 U 1.000e+06 0.00e+00 e 0 195 196 196 0 223 33.679 2.505 2.316 2 U 1.180e+05 0.00e+00 e 0 195 197 196 0 224 33.679 7.344 2.316 2 U 1.210e+04 0.00e+00 e 0 195 201 196 0 225 33.679 6.697 2.316 2 U 3.100e+03 0.00e+00 e 0 195 202 196 0 226 33.679 8.115 2.316 2 U 6.970e+03 0.00e+00 e 0 195 206 196 0 227 33.679 8.138 2.505 2 U 8.953e+03 0.00e+00 e 0 195 188 197 0 228 33.679 4.105 2.505 2 U 3.432e+04 0.00e+00 e 0 195 190 197 0 229 33.679 2.090 2.505 2 U 2.110e+04 0.00e+00 e 0 195 192 197 0 230 33.679 2.264 2.505 2 U 1.750e+04 0.00e+00 e 0 195 193 197 0 231 33.679 2.316 2.505 2 U 9.730e+04 0.00e+00 e 0 195 196 197 0 232 33.679 2.505 2.505 3 U 1.000e+06 0.00e+00 e 0 195 197 197 0 233 33.679 7.344 2.505 2 U 1.250e+04 0.00e+00 e 0 195 201 197 0 234 33.679 6.697 2.505 2 U 3.670e+03 0.00e+00 e 0 195 202 197 0 235 33.679 8.115 2.505 2 U 5.640e+03 0.00e+00 e 0 195 206 197 0 236 59.606 8.115 3.710 2 U -4.940e+03 0.00e+00 e 0 207 206 208 0 237 59.606 3.710 3.710 3 U 1.000e+06 0.00e+00 e 0 207 208 208 0 238 59.606 1.196 3.710 2 U -7.890e+03 0.00e+00 e 0 207 210 208 0 239 59.606 1.610 3.710 2 U -1.070e+04 0.00e+00 e 0 207 211 208 0 240 59.606 1.222 3.710 2 U -5.270e+03 0.00e+00 e 0 207 216 208 0 242 59.606 8.044 3.710 2 U -6.680e+02 0.00e+00 e 0 207 224 208 0 243 59.606 8.410 3.710 2 U -1.200e+03 0.00e+00 e 0 207 260 208 0 244 59.606 2.295 3.710 2 U 0.000e+00 0.00e+00 - 0 207 264 208 0 246 33.327 8.115 1.196 2 U 1.400e+03 0.00e+00 e 0 209 206 210 0 248 33.327 1.196 1.196 3 U 1.000e+06 0.00e+00 e 0 209 210 210 0 249 33.327 1.610 1.196 2 U 0.000e+00 0.00e+00 - 0 209 211 210 0 251 33.327 0.304 1.196 2 U 0.000e+00 0.00e+00 - 0 209 217 210 0 254 33.327 8.115 1.610 2 U 2.740e+03 0.00e+00 e 0 209 206 211 0 256 33.327 1.196 1.610 2 U 2.860e+03 0.00e+00 e 0 209 210 211 0 257 33.327 1.610 1.610 3 U 1.000e+06 0.00e+00 e 0 209 211 211 0 259 33.327 0.304 1.610 2 U 4.110e+03 0.00e+00 e 0 209 217 211 0 262 33.377 3.710 1.222 2 U 1.370e+03 0.00e+00 e 0 213 208 216 0 263 33.377 1.196 1.222 2 U 0.000e+00 0.00e+00 - 0 213 210 216 0 264 33.377 1.610 1.222 2 U 1.880e+04 0.00e+00 e 0 213 211 216 0 265 33.377 1.222 1.222 3 U 1.000e+06 0.00e+00 e 0 213 216 216 0 266 33.377 0.304 1.222 2 U 0.000e+00 0.00e+00 - 0 213 217 216 0 267 33.377 8.044 1.222 2 U 8.590e+02 0.00e+00 e 0 213 224 216 0 268 14.191 8.115 0.304 2 U -7.610e+02 0.00e+00 e 0 218 206 217 0 269 14.191 3.710 0.304 2 U -3.550e+03 0.00e+00 e 0 218 208 217 0 270 14.191 1.196 0.304 2 U -8.687e+03 0.00e+00 e 0 218 210 217 0 271 14.191 1.610 0.304 2 U -1.960e+04 0.00e+00 e 0 218 211 217 0 272 14.191 1.222 0.304 2 U -9.710e+03 0.00e+00 e 0 218 216 217 0 273 14.191 0.304 0.304 3 U 1.000e+06 0.00e+00 e 0 218 217 217 0 275 65.686 8.044 3.272 2 U -2.880e+03 0.00e+00 e 0 225 224 226 0 276 65.686 3.272 3.272 3 U 1.000e+06 0.00e+00 e 0 225 226 226 0 277 65.686 1.749 3.272 2 U -1.140e+04 0.00e+00 e 0 225 228 226 0 278 65.686 0.805 3.272 2 U -1.600e+04 0.00e+00 e 0 225 229 226 0 280 65.686 0.220 3.272 2 U -8.420e+03 0.00e+00 e 0 225 238 226 0 281 65.686 7.699 3.272 2 U -2.150e+03 0.00e+00 e 0 225 245 226 0 282 65.686 8.598 3.272 2 U -1.180e+03 0.00e+00 e 0 225 278 226 0 283 65.686 1.453 3.272 2 U -1.220e+04 0.00e+00 e 0 225 281 226 0 284 38.014 3.909 1.749 2 U 4.160e+03 0.00e+00 e 0 227 175 228 0 285 38.014 8.044 1.749 2 U 3.640e+03 0.00e+00 e 0 227 224 228 0 287 38.014 1.749 1.749 3 U 1.000e+06 0.00e+00 e 0 227 228 228 0 288 38.014 0.805 1.749 2 U 8.780e+03 0.00e+00 e 0 227 229 228 0 290 38.014 0.220 1.749 2 U 7.280e+03 0.00e+00 e 0 227 238 228 0 291 38.014 7.699 1.749 2 U 2.470e+03 0.00e+00 e 0 227 245 228 0 292 16.666 8.044 0.805 2 U -1.420e+04 0.00e+00 e 0 230 224 229 0 293 16.666 3.272 0.805 2 U -3.730e+04 0.00e+00 e 0 230 226 229 0 294 16.666 1.749 0.805 2 U -7.820e+04 0.00e+00 e 0 230 228 229 0 295 16.666 0.805 0.805 3 U 1.000e+06 0.00e+00 e 0 230 229 229 0 296 16.666 1.534 0.805 2 U -9.710e+03 0.00e+00 e 0 230 237 229 0 297 16.666 0.220 0.805 2 U -8.360e+04 0.00e+00 e 0 230 238 229 0 298 16.666 7.699 0.805 2 U -2.270e+04 0.00e+00 e 0 230 245 229 0 301 29.571 1.749 1.534 2 U 2.400e+04 0.00e+00 e 0 234 228 237 0 302 29.571 0.805 1.534 2 U 7.790e+03 0.00e+00 e 0 234 229 237 0 303 29.571 1.534 1.534 3 U 1.000e+06 0.00e+00 e 0 234 237 237 0 304 29.571 0.220 1.534 2 U 3.090e+04 0.00e+00 e 0 234 238 237 0 306 12.607 8.044 0.220 2 U -1.310e+04 0.00e+00 e 0 239 224 238 0 307 12.607 3.272 0.220 2 U -1.140e+04 0.00e+00 e 0 239 226 238 0 308 12.607 1.749 0.220 2 U -6.750e+04 0.00e+00 e 0 239 228 238 0 309 12.607 0.805 0.220 2 U -6.680e+04 0.00e+00 e 0 239 229 238 0 310 12.607 1.534 0.220 2 U -5.300e+04 0.00e+00 e 0 239 237 238 0 311 12.607 0.220 0.220 3 U 1.000e+06 0.00e+00 e 0 239 238 238 0 312 12.607 7.699 0.220 2 U -9.315e+03 0.00e+00 e 0 239 245 238 0 313 59.336 7.699 4.114 2 U 0.000e+00 0.00e+00 - 0 246 245 247 0 314 59.336 4.114 4.114 3 U 1.000e+06 0.00e+00 e 0 246 247 247 0 315 59.336 2.073 4.114 2 U 0.000e+00 0.00e+00 - 0 246 249 247 0 316 59.336 2.163 4.114 2 U 0.000e+00 0.00e+00 - 0 246 250 247 0 317 59.336 2.215 4.114 2 U 0.000e+00 0.00e+00 - 0 246 253 247 0 318 59.336 2.379 4.114 2 U 0.000e+00 0.00e+00 - 0 246 254 247 0 319 59.336 8.410 4.114 2 U 0.000e+00 0.00e+00 - 0 246 260 247 0 320 59.336 8.850 4.114 2 U 0.000e+00 0.00e+00 - 0 246 288 247 0 321 59.336 2.235 4.114 2 U 0.000e+00 0.00e+00 - 0 246 292 247 0 322 59.336 1.959 4.114 2 U 0.000e+00 0.00e+00 - 0 246 293 247 0 323 29.242 4.105 2.073 2 U 3.090e+03 0.00e+00 e 0 248 190 249 0 324 29.242 7.699 2.073 2 U 1.530e+04 0.00e+00 e 0 248 245 249 0 325 29.242 4.114 2.073 2 U 1.150e+04 0.00e+00 e 0 248 247 249 0 326 29.242 2.073 2.073 3 U 1.000e+06 0.00e+00 e 0 248 249 249 0 327 29.242 2.163 2.073 2 U 0.000e+00 0.00e+00 - 0 248 250 249 0 328 29.242 2.215 2.073 2 U 0.000e+00 0.00e+00 - 0 248 253 249 0 329 29.242 2.379 2.073 2 U 0.000e+00 0.00e+00 - 0 248 254 249 0 330 29.242 8.410 2.073 2 U 5.940e+03 0.00e+00 e 0 248 260 249 0 331 29.242 4.105 2.163 2 U 0.000e+00 0.00e+00 e 0 248 190 250 0 332 29.242 7.699 2.163 2 U 2.830e+04 0.00e+00 e 0 248 245 250 0 333 29.242 4.114 2.163 2 U 2.320e+04 0.00e+00 e 0 248 247 250 0 334 29.242 2.073 2.163 2 U 0.000e+00 0.00e+00 - 0 248 249 250 0 335 29.242 2.163 2.163 3 U 1.000e+06 0.00e+00 e 0 248 250 250 0 336 29.242 2.215 2.163 2 U 0.000e+00 0.00e+00 - 0 248 253 250 0 337 29.242 2.379 2.163 2 U 0.000e+00 0.00e+00 - 0 248 254 250 0 338 29.242 8.410 2.163 2 U 6.040e+03 0.00e+00 e 0 248 260 250 0 339 36.357 7.699 2.215 2 U 8.840e+03 0.00e+00 e 0 252 245 253 0 340 36.357 4.114 2.215 2 U 2.370e+04 0.00e+00 e 0 252 247 253 0 341 36.357 2.073 2.215 2 U 2.000e+04 0.00e+00 e 0 252 249 253 0 342 36.357 2.163 2.215 2 U 6.000e+04 0.00e+00 e 0 252 250 253 0 343 36.357 2.215 2.215 3 U 1.000e+06 0.00e+00 e 0 252 253 253 0 344 36.357 2.379 2.215 2 U 0.000e+00 0.00e+00 - 0 252 254 253 0 345 36.357 8.410 2.215 2 U 6.890e+03 0.00e+00 e 0 252 260 253 0 346 36.357 7.699 2.379 2 U 1.090e+04 0.00e+00 e 0 252 245 254 0 347 36.357 4.114 2.379 2 U 2.420e+04 0.00e+00 e 0 252 247 254 0 348 36.357 2.073 2.379 2 U 1.300e+04 0.00e+00 e 0 252 249 254 0 349 36.357 2.163 2.379 2 U 4.380e+04 0.00e+00 e 0 252 250 254 0 350 36.357 2.215 2.379 2 U 0.000e+00 0.00e+00 - 0 252 253 254 0 351 36.357 2.379 2.379 3 U 1.000e+06 0.00e+00 e 0 252 254 254 0 352 36.357 8.410 2.379 2 U 2.820e+03 0.00e+00 e 0 252 260 254 0 353 66.623 8.410 3.531 2 U -1.760e+04 0.00e+00 e 0 261 260 262 0 354 66.623 3.531 3.531 3 U 1.000e+06 0.00e+00 e 0 261 262 262 0 355 66.623 2.295 3.531 2 U -5.920e+03 0.00e+00 e 0 261 264 262 0 356 66.623 1.237 3.531 2 U -4.150e+04 0.00e+00 e 0 261 265 262 0 357 66.623 0.777 3.531 2 U -2.670e+04 0.00e+00 e 0 261 266 262 0 358 66.623 8.598 3.531 2 U -1.220e+03 0.00e+00 e 0 261 278 262 0 359 66.623 8.750 3.531 2 U 0.000e+00 0.00e+00 - 0 261 303 262 0 360 66.623 1.742 3.531 2 U -4.080e+03 0.00e+00 e 0 261 307 262 0 361 66.623 2.003 3.531 2 U -6.700e+03 0.00e+00 e 0 261 308 262 0 362 31.891 3.710 2.295 2 U 3.340e+03 0.00e+00 e 0 263 208 264 0 363 31.891 8.410 2.295 2 U 5.170e+03 0.00e+00 e 0 263 260 264 0 364 31.891 3.531 2.295 2 U 2.260e+03 0.00e+00 e 0 263 262 264 0 365 31.891 2.295 2.295 3 U 1.000e+06 0.00e+00 e 0 263 264 264 0 366 31.891 1.237 2.295 2 U 1.310e+04 0.00e+00 e 0 263 265 264 0 367 31.891 0.777 2.295 2 U 1.700e+04 0.00e+00 e 0 263 266 264 0 368 31.891 8.598 2.295 2 U 2.720e+03 0.00e+00 e 0 263 278 264 0 369 22.917 8.410 1.237 2 U 6.620e+04 0.00e+00 e 0 267 260 265 0 370 22.917 3.531 1.237 2 U 7.220e+04 0.00e+00 e 0 267 262 265 0 371 22.917 2.295 1.237 2 U 6.780e+04 0.00e+00 e 0 267 264 265 0 372 22.917 1.237 1.237 3 U 1.000e+06 0.00e+00 e 0 267 265 265 0 373 22.917 0.777 1.237 2 U 1.240e+05 0.00e+00 e 0 267 266 265 0 374 22.917 8.598 1.237 2 U 1.500e+04 0.00e+00 e 0 267 278 265 0 375 21.787 8.410 0.777 2 U 1.320e+04 0.00e+00 e 0 271 260 266 0 376 21.787 3.531 0.777 2 U 2.310e+04 0.00e+00 e 0 271 262 266 0 377 21.787 2.295 0.777 2 U 3.500e+04 0.00e+00 e 0 271 264 266 0 378 21.787 1.237 0.777 2 U 7.590e+04 0.00e+00 e 0 271 265 266 0 379 21.787 0.777 0.777 3 U 1.000e+06 0.00e+00 e 0 271 266 266 0 380 21.787 8.598 0.777 2 U 1.130e+04 0.00e+00 e 0 271 278 266 0 381 54.731 8.598 4.076 2 U -1.600e+04 0.00e+00 e 0 279 278 280 0 382 54.731 4.076 4.076 3 U 1.000e+06 0.00e+00 e 0 279 280 280 0 383 54.731 1.453 4.076 2 U -3.740e+04 0.00e+00 e 0 279 281 280 0 384 54.731 8.850 4.076 2 U -1.650e+03 0.00e+00 e 0 279 288 280 0 385 54.731 8.645 4.076 2 U -6.050e+02 0.00e+00 e 0 279 328 280 0 386 17.696 3.272 1.453 2 U -1.830e+04 0.00e+00 e 0 282 226 281 0 387 17.696 8.598 1.453 2 U -5.950e+04 0.00e+00 e 0 282 278 281 0 388 17.696 4.076 1.453 2 U -6.980e+04 0.00e+00 e 0 282 280 281 0 389 17.696 1.453 1.453 3 U 1.000e+06 0.00e+00 e 0 282 281 281 0 390 17.696 8.850 1.453 2 U -2.970e+04 0.00e+00 e 0 282 288 281 0 391 59.505 8.850 3.986 2 U -3.760e+03 0.00e+00 e 0 289 288 290 0 392 59.505 3.986 3.986 3 U 1.000e+06 0.00e+00 e 0 289 290 290 0 393 59.505 2.235 3.986 2 U -7.780e+03 0.00e+00 e 0 289 292 290 0 394 59.505 1.959 3.986 2 U -9.380e+03 0.00e+00 e 0 289 293 290 0 395 59.505 2.141 3.986 2 U -9.960e+03 0.00e+00 e 0 289 296 290 0 396 59.505 2.679 3.986 2 U -1.340e+03 0.00e+00 e 0 289 297 290 0 398 59.505 8.549 3.986 2 U -1.880e+03 0.00e+00 e 0 289 335 290 0 399 59.505 1.682 3.986 2 U -8.400e+03 0.00e+00 e 0 289 338 290 0 400 29.656 4.114 2.235 2 U 7.710e+03 0.00e+00 e 0 291 247 292 0 401 29.656 8.850 2.235 2 U 3.570e+03 0.00e+00 e 0 291 288 292 0 402 29.656 3.986 2.235 2 U 1.330e+04 0.00e+00 e 0 291 290 292 0 403 29.656 2.235 2.235 3 U 1.000e+06 0.00e+00 e 0 291 292 292 0 404 29.656 1.959 2.235 2 U 4.670e+04 0.00e+00 e 0 291 293 292 0 405 29.656 2.141 2.235 2 U 3.250e+04 0.00e+00 e 0 291 296 292 0 406 29.656 2.679 2.235 2 U 3.360e+03 0.00e+00 e 0 291 297 292 0 407 29.656 8.750 2.235 2 U 1.870e+03 0.00e+00 e 0 291 303 292 0 408 29.656 4.114 1.959 2 U 4.790e+03 0.00e+00 e 0 291 247 293 0 409 29.656 8.850 1.959 2 U 4.710e+03 0.00e+00 e 0 291 288 293 0 410 29.656 3.986 1.959 2 U 1.950e+04 0.00e+00 e 0 291 290 293 0 411 29.656 2.235 1.959 2 U 4.580e+04 0.00e+00 e 0 291 292 293 0 412 29.656 1.959 1.959 3 U 1.000e+06 0.00e+00 e 0 291 293 293 0 413 29.656 2.141 1.959 2 U 3.200e+04 0.00e+00 e 0 291 296 293 0 414 29.656 2.679 1.959 2 U 3.660e+03 0.00e+00 e 0 291 297 293 0 415 29.656 8.750 1.959 2 U 1.010e+03 0.00e+00 e 0 291 303 293 0 416 37.255 8.850 2.141 2 U 1.700e+04 0.00e+00 e 0 295 288 296 0 417 37.255 3.986 2.141 2 U 4.200e+04 0.00e+00 e 0 295 290 296 0 418 37.255 2.235 2.141 2 U 3.070e+04 0.00e+00 e 0 295 292 296 0 419 37.255 1.959 2.141 2 U 2.580e+04 0.00e+00 e 0 295 293 296 0 420 37.255 2.141 2.141 3 U 1.000e+06 0.00e+00 e 0 295 296 296 0 421 37.255 2.679 2.141 2 U 1.110e+05 0.00e+00 e 0 295 297 296 0 422 37.255 8.750 2.141 2 U 2.170e+03 0.00e+00 e 0 295 303 296 0 423 37.255 8.850 2.679 2 U 2.392e+04 0.00e+00 e 0 295 288 297 0 424 37.255 3.986 2.679 2 U 2.030e+04 0.00e+00 e 0 295 290 297 0 425 37.255 2.235 2.679 2 U 3.000e+04 0.00e+00 e 0 295 292 297 0 426 37.255 1.959 2.679 2 U 3.460e+04 0.00e+00 e 0 295 293 297 0 427 37.255 2.141 2.679 2 U 1.100e+05 0.00e+00 e 0 295 296 297 0 428 37.255 2.679 2.679 3 U 1.000e+06 0.00e+00 e 0 295 297 297 0 429 37.255 8.750 2.679 2 U 9.180e+02 0.00e+00 e 0 295 303 297 0 430 58.712 8.750 4.154 2 U -1.930e+04 0.00e+00 e 0 304 303 305 0 431 58.712 4.154 4.154 3 U 1.000e+06 0.00e+00 e 0 304 305 305 0 432 58.712 1.742 4.154 2 U -8.920e+03 0.00e+00 e 0 304 307 305 0 433 58.712 2.003 4.154 2 U -6.047e+03 0.00e+00 e 0 304 308 305 0 434 58.712 1.542 4.154 2 U -1.560e+04 0.00e+00 e 0 304 311 305 0 435 58.712 1.690 4.154 2 U -9.720e+03 0.00e+00 e 0 304 312 305 0 436 58.712 1.674 4.154 2 U -5.210e+03 0.00e+00 e 0 304 317 305 0 438 58.712 8.645 4.154 2 U -3.440e+03 0.00e+00 e 0 304 328 305 0 439 58.712 7.657 4.154 2 U -7.830e+03 0.00e+00 e 0 304 345 305 0 440 58.712 2.724 4.154 2 U -2.570e+04 0.00e+00 e 0 304 351 305 0 441 31.925 3.531 1.742 2 U 3.260e+03 0.00e+00 e 0 306 262 307 0 442 31.925 8.750 1.742 2 U 1.010e+04 0.00e+00 e 0 306 303 307 0 443 31.925 4.154 1.742 2 U 1.040e+04 0.00e+00 e 0 306 305 307 0 444 31.925 1.742 1.742 3 U 1.000e+06 0.00e+00 e 0 306 307 307 0 445 31.925 2.003 1.742 2 U 4.170e+04 0.00e+00 e 0 306 308 307 0 446 31.925 1.542 1.742 2 U 1.780e+04 0.00e+00 e 0 306 311 307 0 447 31.925 1.690 1.742 2 U 0.000e+00 0.00e+00 - 0 306 312 307 0 448 31.925 1.674 1.742 2 U 7.480e+03 0.00e+00 e 0 306 317 307 0 451 31.925 3.531 2.003 2 U 5.580e+03 0.00e+00 e 0 306 262 308 0 452 31.925 8.750 2.003 2 U 1.780e+04 0.00e+00 e 0 306 303 308 0 453 31.925 4.154 2.003 2 U 9.807e+03 0.00e+00 e 0 306 305 308 0 454 31.925 1.742 2.003 2 U 0.000e+00 0.00e+00 - 0 306 307 308 0 455 31.925 2.003 2.003 3 U 1.000e+06 0.00e+00 e 0 306 308 308 0 456 31.925 1.542 2.003 2 U 0.000e+00 0.00e+00 - 0 306 311 308 0 457 31.925 1.690 2.003 2 U 0.000e+00 0.00e+00 - 0 306 312 308 0 458 31.925 1.674 2.003 2 U 0.000e+00 0.00e+00 - 0 306 317 308 0 459 31.925 2.963 2.003 2 U 0.000e+00 0.00e+00 - 0 306 321 308 0 460 31.925 8.645 2.003 2 U 7.640e+03 0.00e+00 e 0 306 328 308 0 461 25.708 8.750 1.542 2 U 1.080e+04 0.00e+00 e 0 310 303 311 0 462 25.708 4.154 1.542 2 U 1.970e+04 0.00e+00 e 0 310 305 311 0 463 25.708 1.742 1.542 2 U 1.560e+04 0.00e+00 e 0 310 307 311 0 464 25.708 2.003 1.542 2 U 2.240e+04 0.00e+00 e 0 310 308 311 0 465 25.708 1.542 1.542 3 U 1.000e+06 0.00e+00 e 0 310 311 311 0 466 25.708 1.690 1.542 2 U 0.000e+00 0.00e+00 - 0 310 312 311 0 467 25.708 1.674 1.542 2 U 0.000e+00 0.00e+00 - 0 310 317 311 0 468 25.708 2.963 1.542 2 U 1.220e+04 0.00e+00 e 0 310 321 311 0 470 25.708 8.750 1.690 2 U 1.180e+04 0.00e+00 e 0 310 303 312 0 471 25.708 4.154 1.690 2 U 1.400e+04 0.00e+00 e 0 310 305 312 0 472 25.708 1.742 1.690 2 U 0.000e+00 0.00e+00 - 0 310 307 312 0 473 25.708 2.003 1.690 2 U 1.920e+04 0.00e+00 e 0 310 308 312 0 474 25.708 1.542 1.690 2 U 9.020e+04 0.00e+00 e 0 310 311 312 0 475 25.708 1.690 1.690 3 U 1.000e+06 0.00e+00 e 0 310 312 312 0 476 25.708 1.674 1.690 2 U 0.000e+00 0.00e+00 - 0 310 317 312 0 477 25.708 2.963 1.690 2 U 1.020e+04 0.00e+00 e 0 310 321 312 0 478 25.708 8.645 1.690 2 U 1.110e+03 0.00e+00 e 0 310 328 312 0 479 28.780 8.750 1.674 2 U 1.660e+04 0.00e+00 e 0 314 303 317 0 480 28.780 4.154 1.674 2 U 2.680e+04 0.00e+00 e 0 314 305 317 0 481 28.780 1.742 1.674 2 U 0.000e+00 0.00e+00 - 0 314 307 317 0 482 28.780 2.003 1.674 2 U 2.710e+04 0.00e+00 e 0 314 308 317 0 483 28.780 1.542 1.674 2 U 7.480e+04 0.00e+00 e 0 314 311 317 0 484 28.780 1.690 1.674 2 U 0.000e+00 0.00e+00 - 0 314 312 317 0 485 28.780 1.674 1.674 3 U 1.000e+06 0.00e+00 e 0 314 317 317 0 486 28.780 2.963 1.674 2 U 6.620e+04 0.00e+00 e 0 314 321 317 0 488 42.076 8.750 2.963 2 U 2.880e+03 0.00e+00 e 0 318 303 321 0 490 42.076 1.742 2.963 2 U 0.000e+00 0.00e+00 - 0 318 307 321 0 491 42.076 2.003 2.963 2 U 1.280e+04 0.00e+00 e 0 318 308 321 0 492 42.076 1.542 2.963 2 U 4.600e+04 0.00e+00 e 0 318 311 321 0 493 42.076 1.690 2.963 2 U 0.000e+00 0.00e+00 - 0 318 312 321 0 494 42.076 1.674 2.963 2 U 0.000e+00 0.00e+00 - 0 318 317 321 0 495 42.076 2.963 2.963 3 U 1.000e+06 0.00e+00 e 0 318 321 321 0 497 46.368 8.645 3.794 2 U 1.040e+04 0.00e+00 e 0 329 328 330 0 498 46.368 3.794 3.794 3 U 1.000e+06 0.00e+00 e 0 329 330 330 0 499 46.368 3.502 3.794 2 U 9.600e+03 0.00e+00 e 0 329 331 330 0 504 46.368 8.645 3.502 2 U 2.260e+03 0.00e+00 e 0 329 328 331 0 505 46.368 3.794 3.502 2 U 1.230e+04 0.00e+00 e 0 329 330 331 0 506 46.368 3.502 3.502 3 U 1.000e+06 0.00e+00 e 0 329 331 331 0 507 46.368 8.549 3.502 2 U 4.400e+03 0.00e+00 e 0 329 335 331 0 510 46.368 1.690 3.502 2 U 1.390e+03 0.00e+00 e 0 329 361 331 0 511 55.110 8.549 4.487 2 U -6.030e+03 0.00e+00 e 0 336 335 337 0 512 55.110 4.487 4.487 3 U 1.000e+06 0.00e+00 e 0 336 337 337 0 513 55.110 1.682 4.487 2 U -4.230e+04 0.00e+00 e 0 336 338 337 0 514 55.110 7.657 4.487 2 U -2.660e+03 0.00e+00 e 0 336 345 337 0 515 55.110 8.464 4.487 2 U -6.680e+02 0.00e+00 e 0 336 382 337 0 516 55.110 2.109 4.487 2 U -1.760e+03 0.00e+00 e 0 336 386 337 0 517 55.110 2.386 4.487 2 U -5.050e+03 0.00e+00 e 0 336 387 337 0 518 17.283 3.986 1.682 2 U -2.920e+04 0.00e+00 e 0 339 290 338 0 519 17.283 8.549 1.682 2 U -6.040e+04 0.00e+00 e 0 339 335 338 0 520 17.283 4.487 1.682 2 U -6.260e+04 0.00e+00 e 0 339 337 338 0 521 17.283 1.682 1.682 3 U 1.000e+06 0.00e+00 e 0 339 338 338 0 522 17.283 7.657 1.682 2 U -1.900e+04 0.00e+00 e 0 339 345 338 0 523 56.932 7.657 4.458 2 U -2.130e+04 0.00e+00 e 0 346 345 347 0 524 56.932 4.458 4.458 3 U 1.000e+06 0.00e+00 e 0 346 347 347 0 525 56.932 2.724 4.458 2 U -6.170e+04 0.00e+00 e 0 346 351 347 0 526 56.932 8.114 4.458 2 U -3.020e+03 0.00e+00 e 0 346 356 347 0 527 56.932 7.541 4.458 2 U -1.760e+03 0.00e+00 e 0 346 405 347 0 528 56.932 2.158 4.458 2 U -1.090e+04 0.00e+00 e 0 346 409 347 0 529 56.932 2.191 4.458 2 U -7.340e+03 0.00e+00 e 0 346 410 347 0 530 40.460 4.154 2.724 2 U 1.830e+04 0.00e+00 e 0 348 305 351 0 531 40.460 7.657 2.724 2 U 3.740e+04 0.00e+00 e 0 348 345 351 0 532 40.460 4.458 2.724 2 U 4.200e+04 0.00e+00 e 0 348 347 351 0 533 40.460 2.724 2.724 3 U 1.000e+06 0.00e+00 e 0 348 351 351 0 534 40.460 8.114 2.724 2 U 6.800e+03 0.00e+00 e 0 348 356 351 0 535 59.167 8.114 3.999 2 U -1.010e+04 0.00e+00 e 0 357 356 358 0 536 59.167 3.999 3.999 3 U 1.000e+06 0.00e+00 e 0 357 358 358 0 537 59.167 1.822 3.999 2 U -1.250e+04 0.00e+00 e 0 357 360 358 0 538 59.167 1.690 3.999 2 U -1.290e+04 0.00e+00 e 0 357 361 358 0 539 59.167 1.533 3.999 2 U -9.040e+03 0.00e+00 e 0 357 366 358 0 541 59.167 8.464 3.999 2 U -5.400e+03 0.00e+00 e 0 357 382 358 0 542 59.167 7.980 3.999 2 U 0.000e+00 0.00e+00 - 0 357 423 358 0 543 59.167 2.033 3.999 2 U -7.600e+03 0.00e+00 e 0 357 429 358 0 544 30.690 3.794 1.822 2 U 1.570e+03 0.00e+00 e 0 359 330 360 0 545 30.690 3.502 1.822 2 U 1.780e+03 0.00e+00 e 0 359 331 360 0 546 30.690 8.114 1.822 2 U 0.000e+00 0.00e+00 - 0 359 356 360 0 547 30.690 3.999 1.822 2 U 4.520e+03 0.00e+00 e 0 359 358 360 0 548 30.690 1.822 1.822 3 U 1.000e+06 0.00e+00 e 0 359 360 360 0 549 30.690 1.690 1.822 2 U 0.000e+00 0.00e+00 - 0 359 361 360 0 550 30.690 1.533 1.822 2 U 0.000e+00 0.00e+00 - 0 359 366 360 0 555 30.690 8.114 1.690 2 U 0.000e+00 0.00e+00 - 0 359 356 361 0 557 30.690 1.822 1.690 2 U 0.000e+00 0.00e+00 - 0 359 360 361 0 558 30.690 1.690 1.690 3 U 1.000e+06 0.00e+00 e 0 359 361 361 0 559 30.690 1.533 1.690 2 U 0.000e+00 0.00e+00 - 0 359 366 361 0 563 27.046 3.999 1.533 2 U 4.070e+03 0.00e+00 e 0 363 358 366 0 564 27.046 1.822 1.533 2 U 0.000e+00 0.00e+00 - 0 363 360 366 0 565 27.046 1.690 1.533 2 U 0.000e+00 0.00e+00 - 0 363 361 366 0 566 27.046 1.533 1.533 3 U 1.000e+06 0.00e+00 e 0 363 366 366 0 567 27.046 3.156 1.533 2 U 2.210e+04 0.00e+00 e 0 363 370 366 0 569 43.100 8.114 3.156 2 U 0.000e+00 0.00e+00 - 0 367 356 370 0 571 43.100 1.822 3.156 2 U 0.000e+00 0.00e+00 - 0 367 360 370 0 572 43.100 1.690 3.156 2 U 0.000e+00 0.00e+00 - 0 367 361 370 0 573 43.100 1.533 3.156 2 U 0.000e+00 0.00e+00 - 0 367 366 370 0 574 43.100 3.156 3.156 3 U 1.000e+06 0.00e+00 e 0 367 370 370 0 575 43.100 8.464 3.156 2 U 0.000e+00 0.00e+00 - 0 367 382 370 0 576 60.907 8.464 3.785 2 U -2.820e+03 0.00e+00 e 0 383 382 384 0 577 60.907 3.785 3.785 3 U 1.000e+06 0.00e+00 e 0 383 384 384 0 578 60.907 2.109 3.785 2 U -8.590e+03 0.00e+00 e 0 383 386 384 0 579 60.907 2.386 3.785 2 U -3.540e+03 0.00e+00 e 0 383 387 384 0 580 60.907 6.421 3.785 2 U -4.510e+03 0.00e+00 e 0 383 389 384 0 584 39.380 8.464 2.109 2 U 1.700e+03 0.00e+00 e 0 385 382 386 0 586 39.380 2.109 2.109 3 U 1.000e+06 0.00e+00 e 0 385 386 386 0 587 39.380 2.386 2.109 2 U 2.410e+03 0.00e+00 e 0 385 387 386 0 594 39.380 2.109 2.386 2 U 1.020e+04 0.00e+00 e 0 385 386 387 0 595 39.380 2.386 2.386 3 U 1.000e+06 0.00e+00 e 0 385 387 387 0 596 39.380 6.421 2.386 2 U 4.290e+03 0.00e+00 e 0 385 389 387 0 599 57.792 7.541 3.750 2 U -1.010e+04 0.00e+00 e 0 406 405 407 0 600 57.792 3.750 3.750 3 U 1.000e+06 0.00e+00 e 0 406 407 407 0 601 57.792 2.158 3.750 2 U -2.260e+04 0.00e+00 e 0 406 409 407 0 602 57.792 2.191 3.750 2 U -1.520e+04 0.00e+00 e 0 406 410 407 0 603 57.792 2.457 3.750 2 U -1.360e+04 0.00e+00 e 0 406 415 407 0 605 28.382 4.458 2.158 2 U 5.040e+03 0.00e+00 e 0 408 347 409 0 606 28.382 7.541 2.158 2 U 1.190e+04 0.00e+00 e 0 408 405 409 0 607 28.382 3.750 2.158 2 U 2.350e+04 0.00e+00 e 0 408 407 409 0 608 28.382 2.158 2.158 3 U 1.000e+06 0.00e+00 e 0 408 409 409 0 609 28.382 2.191 2.158 2 U 0.000e+00 0.00e+00 - 0 408 410 409 0 610 28.382 2.457 2.158 2 U 0.000e+00 0.00e+00 - 0 408 415 409 0 611 28.382 7.980 2.158 2 U 3.290e+03 0.00e+00 e 0 408 423 409 0 612 28.382 4.458 2.191 2 U 4.600e+03 0.00e+00 e 0 408 347 410 0 613 28.382 7.541 2.191 2 U 2.860e+03 0.00e+00 e 0 408 405 410 0 614 28.382 3.750 2.191 2 U 1.880e+04 0.00e+00 e 0 408 407 410 0 615 28.382 2.158 2.191 2 U 6.910e+04 0.00e+00 e 0 408 409 410 0 616 28.382 2.191 2.191 3 U 1.000e+06 0.00e+00 e 0 408 410 410 0 617 28.382 2.457 2.191 2 U 0.000e+00 0.00e+00 - 0 408 415 410 0 618 28.382 7.980 2.191 2 U 1.530e+03 0.00e+00 e 0 408 423 410 0 619 33.451 7.541 2.457 2 U 6.400e+03 0.00e+00 e 0 412 405 415 0 620 33.451 3.750 2.457 2 U 1.320e+04 0.00e+00 e 0 412 407 415 0 621 33.451 2.158 2.457 2 U 2.780e+04 0.00e+00 e 0 412 409 415 0 622 33.451 2.191 2.457 2 U 2.160e+04 0.00e+00 e 0 412 410 415 0 623 33.451 2.457 2.457 3 U 1.000e+06 0.00e+00 e 0 412 415 415 0 625 57.850 7.980 4.014 2 U -2.850e+03 0.00e+00 e 0 424 423 425 0 626 57.850 4.014 4.014 3 U 1.000e+06 0.00e+00 e 0 424 425 425 0 627 57.850 2.033 4.014 2 U 0.000e+00 0.00e+00 - 0 424 429 425 0 628 57.850 2.239 4.014 2 U 0.000e+00 0.00e+00 - 0 424 431 425 0 629 57.850 2.337 4.014 2 U 0.000e+00 0.00e+00 - 0 424 432 425 0 630 29.673 3.999 2.033 2 U 1.040e+04 0.00e+00 e 0 426 358 429 0 631 29.673 7.980 2.033 2 U 1.220e+04 0.00e+00 e 0 426 423 429 0 632 29.673 4.014 2.033 2 U 2.780e+04 0.00e+00 e 0 426 425 429 0 633 29.673 2.033 2.033 3 U 1.000e+06 0.00e+00 e 0 426 429 429 0 634 29.673 2.239 2.033 2 U 4.000e+04 0.00e+00 e 0 426 431 429 0 635 29.673 2.337 2.033 2 U 5.860e+04 0.00e+00 e 0 426 432 429 0 637 36.010 4.014 2.239 2 U 1.690e+04 0.00e+00 e 0 430 425 431 0 638 36.010 2.033 2.239 2 U 0.000e+00 0.00e+00 - 0 430 429 431 0 639 36.010 2.239 2.239 3 U 1.000e+06 0.00e+00 e 0 430 431 431 0 640 36.010 2.337 2.239 2 U 0.000e+00 0.00e+00 - 0 430 432 431 0 641 36.010 7.980 2.337 2 U 1.690e+03 0.00e+00 e 0 430 423 432 0 642 36.010 4.014 2.337 2 U 2.040e+04 0.00e+00 e 0 430 425 432 0 643 36.010 2.033 2.337 2 U 0.000e+00 0.00e+00 - 0 430 429 432 0 644 36.010 2.239 2.337 2 U 0.000e+00 0.00e+00 - 0 430 431 432 0 645 36.010 2.337 2.337 3 U 1.000e+06 0.00e+00 e 0 430 432 432 0 646 62.000 3.911 3.911 3 U 1.000e+06 0.00e+00 e 0 570 571 571 0 648 62.000 3.152 3.911 2 U -3.870e+03 0.00e+00 e 0 570 574 571 0 649 62.000 6.401 3.911 2 U -6.050e+03 0.00e+00 e 0 570 576 571 0 653 39.200 3.911 2.630 2 U 0.000e+00 0.00e+00 - 0 572 571 573 0 654 39.200 2.630 2.630 3 U 1.000e+06 0.00e+00 e 0 572 573 573 0 655 39.200 3.152 2.630 2 U 1.720e+04 0.00e+00 e 0 572 574 573 0 656 39.200 6.401 2.630 2 U 2.120e+03 0.00e+00 e 0 572 576 573 0 660 39.200 3.911 3.152 2 U 0.000e+00 0.00e+00 - 0 572 571 574 0 661 39.200 2.630 3.152 2 U 0.000e+00 0.00e+00 - 0 572 573 574 0 662 39.200 3.152 3.152 3 U 1.000e+06 0.00e+00 e 0 572 574 574 0 663 39.200 6.401 3.152 2 U 1.730e+03 0.00e+00 e 0 572 576 574 0 667 61.553 8.088 3.971 2 U -3.260e+03 0.00e+00 e 0 593 592 594 0 668 61.553 3.971 3.971 3 U 1.000e+06 0.00e+00 e 0 593 594 594 0 669 61.553 3.132 3.971 2 U -4.570e+04 0.00e+00 e 0 593 598 594 0 670 61.553 7.452 3.971 2 U -1.480e+04 0.00e+00 e 0 593 599 594 0 674 38.589 8.088 3.132 2 U 3.810e+03 0.00e+00 e 0 595 592 598 0 675 38.589 3.971 3.132 2 U 1.820e+04 0.00e+00 e 0 595 594 598 0 676 38.589 3.132 3.132 3 U 1.000e+06 0.00e+00 e 0 595 598 598 0 677 38.589 7.452 3.132 2 U 1.340e+04 0.00e+00 e 0 595 599 598 0 681 57.690 9.004 4.130 2 U -8.680e+03 0.00e+00 e 0 616 615 617 0 682 57.690 4.130 4.130 3 U 1.000e+06 0.00e+00 e 0 616 617 617 0 683 57.690 2.063 4.130 2 U -2.310e+04 0.00e+00 e 0 616 619 617 0 684 57.690 1.958 4.130 2 U -2.710e+04 0.00e+00 e 0 616 620 617 0 685 57.690 2.264 4.130 2 U -2.200e+04 0.00e+00 e 0 616 623 617 0 686 57.690 2.360 4.130 2 U -1.290e+04 0.00e+00 e 0 616 624 617 0 687 57.690 7.386 4.130 2 U -3.650e+03 0.00e+00 e 0 616 630 617 0 688 30.583 9.004 2.063 2 U 9.050e+03 0.00e+00 e 0 618 615 619 0 689 30.583 4.130 2.063 2 U 4.440e+04 0.00e+00 e 0 618 617 619 0 690 30.583 2.063 2.063 3 U 1.000e+06 0.00e+00 e 0 618 619 619 0 691 30.583 1.958 2.063 2 U 1.100e+05 0.00e+00 e 0 618 620 619 0 692 30.583 2.264 2.063 2 U 2.980e+04 0.00e+00 e 0 618 623 619 0 693 30.583 2.360 2.063 2 U 3.270e+04 0.00e+00 e 0 618 624 619 0 694 30.583 7.386 2.063 2 U 6.550e+03 0.00e+00 e 0 618 630 619 0 695 30.583 9.004 1.958 2 U 1.660e+04 0.00e+00 e 0 618 615 620 0 696 30.583 4.130 1.958 2 U 2.900e+04 0.00e+00 e 0 618 617 620 0 697 30.583 2.063 1.958 2 U 1.420e+05 0.00e+00 e 0 618 619 620 0 698 30.583 1.958 1.958 3 U 1.000e+06 0.00e+00 e 0 618 620 620 0 699 30.583 2.264 1.958 2 U 3.060e+04 0.00e+00 e 0 618 623 620 0 700 30.583 2.360 1.958 2 U 2.850e+04 0.00e+00 e 0 618 624 620 0 701 30.583 7.386 1.958 2 U 3.340e+03 0.00e+00 e 0 618 630 620 0 702 36.293 9.004 2.264 2 U 8.390e+03 0.00e+00 e 0 622 615 623 0 703 36.293 4.130 2.264 2 U 3.340e+04 0.00e+00 e 0 622 617 623 0 704 36.293 2.063 2.264 2 U 3.800e+04 0.00e+00 e 0 622 619 623 0 705 36.293 1.958 2.264 2 U 2.740e+04 0.00e+00 e 0 622 620 623 0 706 36.293 2.264 2.264 3 U 1.000e+06 0.00e+00 e 0 622 623 623 0 707 36.293 2.360 2.264 2 U 3.000e+05 0.00e+00 e 0 622 624 623 0 709 36.293 9.004 2.360 2 U 1.210e+04 0.00e+00 e 0 622 615 624 0 710 36.293 4.130 2.360 2 U 2.180e+04 0.00e+00 e 0 622 617 624 0 711 36.293 2.063 2.360 2 U 2.940e+04 0.00e+00 e 0 622 619 624 0 712 36.293 1.958 2.360 2 U 2.630e+04 0.00e+00 e 0 622 620 624 0 713 36.293 2.264 2.360 2 U 3.470e+05 0.00e+00 e 0 622 623 624 0 714 36.293 2.360 2.360 3 U 1.000e+06 0.00e+00 e 0 622 624 624 0 715 36.293 7.386 2.360 2 U 1.200e+03 0.00e+00 e 0 622 630 624 0 716 64.064 7.386 4.282 2 U -7.120e+03 0.00e+00 e 0 631 630 632 0 717 64.064 4.282 4.282 3 U 1.000e+06 0.00e+00 e 0 631 632 632 0 718 64.064 4.084 4.282 2 U -1.450e+04 0.00e+00 e 0 631 634 632 0 719 64.064 0.937 4.282 2 U -2.880e+04 0.00e+00 e 0 631 635 632 0 720 64.064 7.255 4.282 2 U -2.590e+03 0.00e+00 e 0 631 643 632 0 721 69.969 7.386 4.084 2 U -3.580e+03 0.00e+00 e 0 633 630 634 0 722 69.969 4.282 4.084 2 U -5.890e+03 0.00e+00 e 0 633 632 634 0 723 69.969 4.084 4.084 3 U 1.000e+06 0.00e+00 e 0 633 634 634 0 724 69.969 0.937 4.084 2 U -1.270e+04 0.00e+00 e 0 633 635 634 0 725 69.969 7.255 4.084 2 U -2.080e+03 0.00e+00 e 0 633 643 634 0 726 22.495 7.386 0.937 2 U 5.240e+03 0.00e+00 e 0 637 630 635 0 727 22.495 4.282 0.937 2 U 3.650e+04 0.00e+00 e 0 637 632 635 0 728 22.495 4.084 0.937 2 U 4.390e+04 0.00e+00 e 0 637 634 635 0 729 22.495 0.937 0.937 3 U 1.000e+06 0.00e+00 e 0 637 635 635 0 730 22.495 7.255 0.937 2 U 7.290e+03 0.00e+00 e 0 637 643 635 0 732 65.827 2.569 2.569 3 U 1.000e+06 0.00e+00 e 0 644 645 645 0 733 65.827 1.469 2.569 2 U 2.760e+02 0.00e+00 e 0 644 647 645 0 736 65.827 1.133 2.569 2 U -4.800e+02 0.00e+00 e 0 644 655 645 0 737 65.827 0.765 2.569 2 U 1.000e+00 0.00e+00 e 0 644 657 645 0 738 37.305 7.255 1.469 2 U 2.970e+03 0.00e+00 e 0 646 643 647 0 739 37.305 2.569 1.469 2 U 5.090e+03 0.00e+00 e 0 646 645 647 0 740 37.305 1.469 1.469 3 U 1.000e+06 0.00e+00 e 0 646 647 647 0 741 37.305 0.507 1.469 2 U 3.480e+03 0.00e+00 e 0 646 648 647 0 742 37.305 0.197 1.469 2 U 0.000e+00 0.00e+00 - 0 646 654 647 0 745 16.610 7.255 0.507 2 U -9.960e+03 0.00e+00 e 0 649 643 648 0 747 16.610 1.469 0.507 2 U -3.680e+04 0.00e+00 e 0 649 647 648 0 748 16.610 0.507 0.507 3 U 1.000e+06 0.00e+00 e 0 649 648 648 0 749 16.610 0.197 0.507 2 U -2.010e+04 0.00e+00 e 0 649 654 648 0 750 16.610 1.133 0.507 2 U -1.280e+04 0.00e+00 e 0 649 655 648 0 751 16.610 0.765 0.507 2 U -8.910e+04 0.00e+00 e 0 649 657 648 0 757 27.650 1.133 0.197 2 U 0.000e+00 0.00e+00 - 0 653 655 654 0 764 27.650 1.133 1.133 3 U 1.000e+06 0.00e+00 e 0 653 655 655 0 766 13.555 7.255 0.765 2 U -8.280e+03 0.00e+00 e 0 658 643 657 0 767 13.555 2.569 0.765 2 U -1.171e+04 0.00e+00 e 0 658 645 657 0 768 13.555 1.469 0.765 2 U -2.230e+04 0.00e+00 e 0 658 647 657 0 769 13.555 0.507 0.765 2 U -7.660e+04 0.00e+00 e 0 658 648 657 0 770 13.555 0.197 0.765 2 U -2.770e+04 0.00e+00 e 0 658 654 657 0 771 13.555 1.133 0.765 2 U -2.400e+04 0.00e+00 e 0 658 655 657 0 772 13.555 0.765 0.765 3 U 1.000e+06 0.00e+00 e 0 658 657 657 0 782 59.000 8.401 3.651 2 U -2.610e+03 0.00e+00 e 0 665 664 666 0 783 59.000 3.651 3.651 3 U 1.000e+06 0.00e+00 e 0 665 666 666 0 784 59.000 1.596 3.651 2 U 0.000e+00 0.00e+00 - 0 665 670 666 0 785 29.698 8.401 1.596 2 U 2.550e+03 0.00e+00 e 0 667 664 670 0 786 29.698 3.651 1.596 2 U 8.510e+03 0.00e+00 e 0 667 666 670 0 787 29.698 1.596 1.596 3 U 1.000e+06 0.00e+00 e 0 667 670 670 0 789 59.000 2.955 3.651 2 U 0.000e+00 0.00e+00 - 0 665 700 666 0 791 59.000 3.320 3.651 2 U 0.000e+00 0.00e+00 - 0 665 701 666 0 793 49.355 1.630 2.955 2 U 3.408e+03 0.00e+00 e 0 689 693 700 0 794 49.355 2.174 2.955 2 U 6.340e+02 0.00e+00 e 0 689 694 700 0 795 49.355 1.753 2.955 2 U 1.990e+04 0.00e+00 e 0 689 699 700 0 796 49.355 2.955 2.955 3 U 1.000e+06 0.00e+00 e 0 689 700 700 0 797 49.355 3.320 2.955 2 U 3.060e+04 0.00e+00 e 0 689 701 700 0 798 49.355 6.791 2.955 2 U 1.910e+03 0.00e+00 e 0 689 705 700 0 800 49.355 1.630 3.320 2 U 6.440e+03 0.00e+00 e 0 689 693 701 0 801 49.355 2.174 3.320 2 U 2.010e+03 0.00e+00 e 0 689 694 701 0 802 49.355 1.753 3.320 2 U 1.220e+04 0.00e+00 e 0 689 699 701 0 803 49.355 2.955 3.320 2 U 2.550e+04 0.00e+00 e 0 689 700 701 0 804 49.355 3.320 3.320 3 U 1.000e+06 0.00e+00 e 0 689 701 701 0 806 65.300 4.278 4.278 3 U 1.000e+06 0.00e+00 e 0 690 691 691 0 807 65.300 1.630 4.278 2 U -1.336e+04 0.00e+00 e 0 690 693 691 0 808 65.300 2.174 4.278 2 U -2.940e+04 0.00e+00 e 0 690 694 691 0 809 65.300 1.753 4.278 2 U -1.260e+04 0.00e+00 e 0 690 699 691 0 812 65.300 6.791 4.278 2 U -1.492e+03 0.00e+00 e 0 690 705 691 0 813 30.200 4.278 1.630 2 U 1.442e+04 0.00e+00 e 0 692 691 693 0 814 30.200 1.630 1.630 3 U 1.000e+06 0.00e+00 e 0 692 693 693 0 815 30.200 2.174 1.630 2 U 6.800e+04 0.00e+00 e 0 692 694 693 0 816 30.200 1.753 1.630 2 U 1.955e+04 0.00e+00 e 0 692 699 693 0 817 30.200 2.955 1.630 2 U 9.312e+03 0.00e+00 e 0 692 700 693 0 818 30.200 3.320 1.630 2 U 2.489e+03 0.00e+00 e 0 692 701 693 0 819 30.200 6.791 1.630 2 U 2.467e+03 0.00e+00 e 0 692 705 693 0 820 30.200 4.278 2.174 2 U 1.960e+04 0.00e+00 e 0 692 691 694 0 821 30.200 1.630 2.174 2 U 6.940e+04 0.00e+00 e 0 692 693 694 0 822 30.200 2.174 2.174 3 U 1.000e+06 0.00e+00 e 0 692 694 694 0 823 30.200 1.753 2.174 2 U 2.540e+04 0.00e+00 e 0 692 699 694 0 824 30.200 2.955 2.174 2 U 4.100e+03 0.00e+00 e 0 692 700 694 0 825 30.200 3.320 2.174 2 U 3.760e+03 0.00e+00 e 0 692 701 694 0 826 30.200 6.791 2.174 2 U 2.590e+03 0.00e+00 e 0 692 705 694 0 827 27.932 4.278 1.753 2 U 1.360e+04 0.00e+00 e 0 696 691 699 0 828 27.932 1.630 1.753 2 U 2.479e+04 0.00e+00 e 0 696 693 699 0 829 27.932 2.174 1.753 2 U 1.666e+04 0.00e+00 e 0 696 694 699 0 830 27.932 1.753 1.753 3 U 1.000e+06 0.00e+00 e 0 696 699 699 0 831 27.932 2.955 1.753 2 U 3.098e+04 0.00e+00 e 0 696 700 699 0 832 27.932 3.320 1.753 2 U 2.934e+04 0.00e+00 e 0 696 701 699 0 833 27.932 6.791 1.753 2 U 4.957e+03 0.00e+00 e 0 696 705 699 0 834 54.895 6.791 4.194 2 U -1.220e+04 0.00e+00 e 0 706 705 707 0 835 54.895 4.194 4.194 3 U 1.000e+06 0.00e+00 e 0 706 707 707 0 836 54.895 1.306 4.194 2 U -4.830e+04 0.00e+00 e 0 706 708 707 0 837 54.895 8.384 4.194 2 U -5.930e+03 0.00e+00 e 0 706 715 707 0 838 54.895 8.390 4.194 2 U -5.260e+03 0.00e+00 e 0 706 748 707 0 839 54.895 2.031 4.194 2 U -3.579e+03 0.00e+00 e 0 706 752 707 0 840 54.895 2.165 4.194 2 U -2.055e+03 0.00e+00 e 0 706 753 707 0 841 18.023 6.791 1.306 2 U -1.090e+05 0.00e+00 e 0 709 705 708 0 842 18.023 4.194 1.306 2 U -1.370e+05 0.00e+00 e 0 709 707 708 0 843 18.023 1.306 1.306 3 U 1.000e+06 0.00e+00 e 0 709 708 708 0 844 18.023 8.384 1.306 2 U -4.740e+04 0.00e+00 e 0 709 715 708 0 845 67.171 8.384 3.456 2 U -8.780e+03 0.00e+00 e 0 716 715 717 0 846 67.171 3.456 3.456 3 U 1.000e+06 0.00e+00 e 0 716 717 717 0 847 67.171 2.147 3.456 2 U -1.430e+04 0.00e+00 e 0 716 719 717 0 848 67.171 0.906 3.456 2 U -2.650e+04 0.00e+00 e 0 716 720 717 0 849 67.171 0.941 3.456 2 U -1.860e+04 0.00e+00 e 0 716 721 717 0 850 67.171 8.408 3.456 2 U -9.740e+03 0.00e+00 e 0 716 733 717 0 852 67.171 2.725 3.456 2 U -1.800e+03 0.00e+00 e 0 716 767 717 0 853 67.171 2.818 3.456 2 U -2.200e+02 0.00e+00 e 0 716 768 717 0 854 31.477 8.384 2.147 2 U 1.680e+04 0.00e+00 e 0 718 715 719 0 855 31.477 3.456 2.147 2 U 8.800e+03 0.00e+00 e 0 718 717 719 0 856 31.477 2.147 2.147 3 U 1.000e+06 0.00e+00 e 0 718 719 719 0 857 31.477 0.906 2.147 2 U 2.010e+04 0.00e+00 e 0 718 720 719 0 858 31.477 0.941 2.147 2 U 2.860e+04 0.00e+00 e 0 718 721 719 0 859 31.477 8.408 2.147 2 U 1.280e+04 0.00e+00 e 0 718 733 719 0 860 22.782 8.384 0.906 2 U 2.320e+04 0.00e+00 e 0 722 715 720 0 861 22.782 3.456 0.906 2 U 3.696e+04 0.00e+00 e 0 722 717 720 0 862 22.782 2.147 0.906 2 U 4.573e+04 0.00e+00 e 0 722 719 720 0 863 22.782 0.906 0.906 3 U 1.000e+06 0.00e+00 e 0 722 720 720 0 864 22.782 0.941 0.906 2 U 0.000e+00 0.00e+00 - 0 722 721 720 0 865 22.782 8.408 0.906 2 U 1.220e+04 0.00e+00 e 0 722 733 720 0 866 21.098 8.384 0.941 2 U -1.040e+04 0.00e+00 e 0 726 715 721 0 867 21.098 3.456 0.941 2 U -3.052e+04 0.00e+00 e 0 726 717 721 0 868 21.098 2.147 0.941 2 U -3.780e+04 0.00e+00 e 0 726 719 721 0 869 21.098 0.906 0.941 2 U 0.000e+00 0.00e+00 - 0 726 720 721 0 870 21.098 0.941 0.941 3 U 1.000e+06 0.00e+00 e 0 726 721 721 0 871 21.098 8.408 0.941 2 U -2.020e+04 0.00e+00 e 0 726 733 721 0 872 59.563 8.408 4.057 2 U -4.850e+03 0.00e+00 e 0 734 733 735 0 873 59.563 4.057 4.057 3 U 1.000e+06 0.00e+00 e 0 734 735 735 0 874 59.563 2.004 4.057 2 U -1.730e+04 0.00e+00 e 0 734 737 735 0 875 59.563 2.046 4.057 2 U -1.810e+04 0.00e+00 e 0 734 738 735 0 876 59.563 2.263 4.057 2 U -1.550e+04 0.00e+00 e 0 734 741 735 0 877 59.563 2.485 4.057 2 U -9.260e+03 0.00e+00 e 0 734 742 735 0 878 59.563 8.390 4.057 2 U -4.580e+03 0.00e+00 e 0 734 748 735 0 879 59.563 8.815 4.057 2 U -3.750e+03 0.00e+00 e 0 734 777 735 0 880 59.563 2.881 4.057 2 U -8.600e+03 0.00e+00 e 0 734 781 735 0 881 59.563 2.956 4.057 2 U -5.410e+03 0.00e+00 e 0 734 782 735 0 882 29.280 8.408 2.004 2 U 5.100e+03 0.00e+00 e 0 736 733 737 0 883 29.280 4.057 2.004 2 U 1.560e+04 0.00e+00 e 0 736 735 737 0 884 29.280 2.004 2.004 3 U 1.000e+06 0.00e+00 e 0 736 737 737 0 885 29.280 2.046 2.004 2 U 0.000e+00 0.00e+00 - 0 736 738 737 0 886 29.280 2.263 2.004 2 U 0.000e+00 0.00e+00 - 0 736 741 737 0 887 29.280 2.485 2.004 2 U 0.000e+00 0.00e+00 - 0 736 742 737 0 888 29.280 8.390 2.004 2 U 4.430e+03 0.00e+00 e 0 736 748 737 0 889 29.280 8.408 2.046 2 U 8.110e+03 0.00e+00 e 0 736 733 738 0 890 29.280 4.057 2.046 2 U 1.540e+04 0.00e+00 e 0 736 735 738 0 891 29.280 2.004 2.046 2 U 0.000e+00 0.00e+00 - 0 736 737 738 0 892 29.280 2.046 2.046 3 U 1.000e+06 0.00e+00 e 0 736 738 738 0 893 29.280 2.263 2.046 2 U 0.000e+00 0.00e+00 - 0 736 741 738 0 894 29.280 2.485 2.046 2 U 0.000e+00 0.00e+00 - 0 736 742 738 0 895 29.280 8.390 2.046 2 U 4.320e+03 0.00e+00 e 0 736 748 738 0 896 36.870 8.408 2.263 2 U 6.540e+03 0.00e+00 e 0 740 733 741 0 897 36.870 4.057 2.263 2 U 2.570e+04 0.00e+00 e 0 740 735 741 0 898 36.870 2.004 2.263 2 U 0.000e+00 0.00e+00 - 0 740 737 741 0 899 36.870 2.046 2.263 2 U 0.000e+00 0.00e+00 - 0 740 738 741 0 900 36.870 2.263 2.263 3 U 1.000e+06 0.00e+00 e 0 740 741 741 0 901 36.870 2.485 2.263 2 U 0.000e+00 0.00e+00 - 0 740 742 741 0 902 36.870 8.390 2.263 2 U 2.250e+03 0.00e+00 e 0 740 748 741 0 903 36.870 8.408 2.485 2 U 2.470e+04 0.00e+00 e 0 740 733 742 0 904 36.870 4.057 2.485 2 U 2.310e+04 0.00e+00 e 0 740 735 742 0 905 36.870 2.004 2.485 2 U 0.000e+00 0.00e+00 - 0 740 737 742 0 906 36.870 2.046 2.485 2 U 0.000e+00 0.00e+00 - 0 740 738 742 0 907 36.870 2.263 2.485 2 U 0.000e+00 0.00e+00 - 0 740 741 742 0 908 36.870 2.485 2.485 3 U 1.000e+06 0.00e+00 e 0 740 742 742 0 909 36.870 8.390 2.485 2 U 3.240e+03 0.00e+00 e 0 740 748 742 0 910 58.854 8.390 4.196 2 U -2.540e+04 0.00e+00 e 0 749 748 750 0 911 58.854 4.196 4.196 3 U 1.000e+06 0.00e+00 e 0 749 750 750 0 912 58.854 2.031 4.196 2 U -2.023e+04 0.00e+00 e 0 749 752 750 0 913 58.854 2.165 4.196 2 U -3.874e+04 0.00e+00 e 0 749 753 750 0 914 58.854 2.307 4.196 2 U -2.980e+04 0.00e+00 e 0 749 758 750 0 915 58.854 7.697 4.196 2 U -3.120e+03 0.00e+00 e 0 749 763 750 0 916 58.854 7.314 4.196 2 U -4.370e+03 0.00e+00 e 0 749 788 750 0 917 58.854 2.151 4.196 2 U -2.170e+04 0.00e+00 e 0 749 794 750 0 918 29.256 4.194 2.031 2 U 7.406e+03 0.00e+00 e 0 751 707 752 0 919 29.256 8.390 2.031 2 U 7.950e+03 0.00e+00 e 0 751 748 752 0 920 29.256 4.196 2.031 2 U 1.174e+04 0.00e+00 e 0 751 750 752 0 921 29.256 2.031 2.031 3 U 1.000e+06 0.00e+00 e 0 751 752 752 0 922 29.256 2.165 2.031 2 U 0.000e+00 0.00e+00 - 0 751 753 752 0 923 29.256 2.307 2.031 2 U 0.000e+00 0.00e+00 - 0 751 758 752 0 924 29.256 7.697 2.031 2 U 1.080e+04 0.00e+00 e 0 751 763 752 0 925 29.256 4.194 2.165 2 U 3.048e+03 0.00e+00 e 0 751 707 753 0 926 29.256 8.390 2.165 2 U 7.010e+03 0.00e+00 e 0 751 748 753 0 927 29.256 4.196 2.165 2 U 1.717e+04 0.00e+00 e 0 751 750 753 0 928 29.256 2.031 2.165 2 U 0.000e+00 0.00e+00 - 0 751 752 753 0 929 29.256 2.165 2.165 3 U 1.000e+06 0.00e+00 e 0 751 753 753 0 930 29.256 2.307 2.165 2 U 0.000e+00 0.00e+00 - 0 751 758 753 0 931 29.256 7.697 2.165 2 U 1.940e+04 0.00e+00 e 0 751 763 753 0 932 35.909 8.390 2.307 2 U 4.520e+04 0.00e+00 e 0 755 748 758 0 933 35.909 4.196 2.307 2 U 7.510e+04 0.00e+00 e 0 755 750 758 0 934 35.909 2.031 2.307 2 U 0.000e+00 0.00e+00 - 0 755 752 758 0 935 35.909 2.165 2.307 2 U 0.000e+00 0.00e+00 - 0 755 753 758 0 936 35.909 2.307 2.307 3 U 1.000e+06 0.00e+00 e 0 755 758 758 0 937 35.909 7.697 2.307 2 U 1.237e+04 0.00e+00 e 0 755 763 758 0 938 57.093 7.697 4.899 2 U -1.970e+03 0.00e+00 e 0 764 763 765 0 939 57.093 4.899 4.899 3 U 1.000e+06 0.00e+00 e 0 764 765 765 0 940 57.093 2.725 4.899 2 U -6.110e+03 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0 908 914 910 0 1211 29.473 7.651 2.104 2 U 8.340e+03 0.00e+00 e 0 908 920 910 0 1212 35.985 7.462 2.222 2 U 1.520e+04 0.00e+00 e 0 912 905 913 0 1213 35.985 3.883 2.222 2 U 2.630e+04 0.00e+00 e 0 912 907 913 0 1214 35.985 2.039 2.222 2 U 3.080e+04 0.00e+00 e 0 912 909 913 0 1215 35.985 2.104 2.222 2 U 0.000e+00 0.00e+00 - 0 912 910 913 0 1216 35.985 2.222 2.222 3 U 1.000e+06 0.00e+00 e 0 912 913 913 0 1217 35.985 2.384 2.222 2 U 2.810e+05 0.00e+00 e 0 912 914 913 0 1218 35.985 7.651 2.222 2 U 4.890e+03 0.00e+00 e 0 912 920 913 0 1219 35.985 7.462 2.384 2 U 1.740e+04 0.00e+00 e 0 912 905 914 0 1220 35.985 3.883 2.384 2 U 2.590e+04 0.00e+00 e 0 912 907 914 0 1221 35.985 2.039 2.384 2 U 2.810e+04 0.00e+00 e 0 912 909 914 0 1222 35.985 2.104 2.384 2 U 0.000e+00 0.00e+00 - 0 912 910 914 0 1223 35.985 2.222 2.384 2 U 0.000e+00 0.00e+00 - 0 912 913 914 0 1224 35.985 2.384 2.384 3 U 1.000e+06 0.00e+00 e 0 912 914 914 0 1225 35.985 7.651 2.384 2 U 4.594e+03 0.00e+00 e 0 912 920 914 0 1226 47.140 7.651 3.490 2 U 2.482e+04 0.00e+00 e 0 921 920 922 0 1227 47.140 3.490 3.490 3 U 1.000e+06 0.00e+00 e 0 921 922 922 0 1228 47.140 3.851 3.490 2 U 5.030e+04 0.00e+00 e 0 921 923 922 0 1229 47.140 8.953 3.490 2 U 2.550e+03 0.00e+00 e 0 921 927 922 0 1230 47.140 7.313 3.490 2 U 8.300e+02 0.00e+00 e 0 921 959 922 0 1231 47.140 2.038 3.490 2 U 2.108e+03 0.00e+00 e 0 921 963 922 0 1233 47.140 7.651 3.851 2 U 3.065e+04 0.00e+00 e 0 921 920 923 0 1234 47.140 3.490 3.851 2 U 6.170e+04 0.00e+00 e 0 921 922 923 0 1235 47.140 3.851 3.851 3 U 1.000e+06 0.00e+00 e 0 921 923 923 0 1236 47.140 8.953 3.851 2 U 5.840e+03 0.00e+00 e 0 921 927 923 0 1238 47.140 2.038 3.851 2 U 2.055e+03 0.00e+00 e 0 921 963 923 0 1239 47.140 2.081 3.851 2 U 1.522e+03 0.00e+00 e 0 921 964 923 0 1240 54.498 8.953 3.641 2 U -5.530e+03 0.00e+00 e 0 928 927 929 0 1241 54.498 3.641 3.641 3 U 1.000e+06 0.00e+00 e 0 928 929 929 0 1242 54.498 0.345 3.641 2 U -1.330e+04 0.00e+00 e 0 928 930 929 0 1244 54.498 7.701 3.641 2 U -3.080e+03 0.00e+00 e 0 928 974 929 0 1245 54.498 2.045 3.641 2 U -1.540e+04 0.00e+00 e 0 928 978 929 0 1246 54.498 1.382 3.641 2 U -1.500e+02 0.00e+00 e 0 928 979 929 0 1247 16.684 3.220 0.345 2 U -3.270e+04 0.00e+00 e 0 931 897 930 0 1248 16.684 8.953 0.345 2 U -6.240e+04 0.00e+00 e 0 931 927 930 0 1249 16.684 3.641 0.345 2 U -6.740e+04 0.00e+00 e 0 931 929 930 0 1250 16.684 0.345 0.345 3 U 1.000e+06 0.00e+00 e 0 931 930 930 0 1251 16.684 8.370 0.345 2 U -2.510e+04 0.00e+00 e 0 931 937 930 0 1252 57.303 8.370 3.921 2 U -8.910e+03 0.00e+00 e 0 938 937 939 0 1253 57.303 3.921 3.921 3 U 1.000e+06 0.00e+00 e 0 938 939 939 0 1254 57.303 1.308 3.921 2 U -2.770e+04 0.00e+00 e 0 938 941 939 0 1255 57.303 1.865 3.921 2 U -1.510e+04 0.00e+00 e 0 938 942 939 0 1256 57.303 1.816 3.921 2 U -7.770e+03 0.00e+00 e 0 938 945 939 0 1257 57.303 0.829 3.921 2 U -1.250e+04 0.00e+00 e 0 938 946 939 0 1258 57.303 0.843 3.921 2 U -2.610e+04 0.00e+00 e 0 938 947 939 0 1259 57.303 7.313 3.921 2 U -1.340e+03 0.00e+00 e 0 938 959 939 0 1260 57.303 7.515 3.921 2 U -1.660e+03 0.00e+00 e 0 938 996 939 0 1261 57.303 1.985 3.921 2 U -1.051e+03 0.00e+00 e 0 938 1000 939 0 1262 40.784 3.883 1.308 2 U 2.990e+03 0.00e+00 e 0 940 907 941 0 1263 40.784 8.370 1.308 2 U 5.640e+03 0.00e+00 e 0 940 937 941 0 1264 40.784 3.921 1.308 2 U 4.590e+03 0.00e+00 e 0 940 939 941 0 1265 40.784 1.308 1.308 3 U 1.000e+06 0.00e+00 e 0 940 941 941 0 1266 40.784 1.865 1.308 2 U 3.470e+04 0.00e+00 e 0 940 942 941 0 1267 40.784 1.816 1.308 2 U 9.830e+03 0.00e+00 e 0 940 945 941 0 1268 40.784 0.829 1.308 2 U 6.670e+03 0.00e+00 e 0 940 946 941 0 1269 40.784 0.843 1.308 2 U 1.140e+04 0.00e+00 e 0 940 947 941 0 1270 40.784 7.313 1.308 2 U 2.460e+03 0.00e+00 e 0 940 959 941 0 1271 40.784 3.883 1.865 2 U 3.090e+03 0.00e+00 e 0 940 907 942 0 1272 40.784 8.370 1.865 2 U 4.480e+03 0.00e+00 e 0 940 937 942 0 1273 40.784 3.921 1.865 2 U 2.560e+03 0.00e+00 e 0 940 939 942 0 1274 40.784 1.308 1.865 2 U 3.560e+04 0.00e+00 e 0 940 941 942 0 1275 40.784 1.865 1.865 3 U 1.000e+06 0.00e+00 e 0 940 942 942 0 1276 40.784 1.816 1.865 2 U 8.790e+03 0.00e+00 e 0 940 945 942 0 1277 40.784 0.829 1.865 2 U 4.520e+03 0.00e+00 e 0 940 946 942 0 1278 40.784 0.843 1.865 2 U 8.620e+03 0.00e+00 e 0 940 947 942 0 1279 40.784 7.313 1.865 2 U 3.430e+03 0.00e+00 e 0 940 959 942 0 1280 27.004 8.370 1.816 2 U 1.600e+04 0.00e+00 e 0 944 937 945 0 1281 27.004 3.921 1.816 2 U 6.090e+03 0.00e+00 e 0 944 939 945 0 1282 27.004 1.308 1.816 2 U 6.170e+03 0.00e+00 e 0 944 941 945 0 1283 27.004 1.865 1.816 2 U 1.370e+04 0.00e+00 e 0 944 942 945 0 1284 27.004 1.816 1.816 3 U 1.000e+06 0.00e+00 e 0 944 945 945 0 1285 27.004 0.829 1.816 2 U 2.040e+04 0.00e+00 e 0 944 946 945 0 1286 27.004 0.843 1.816 2 U 1.720e+04 0.00e+00 e 0 944 947 945 0 1287 27.004 7.313 1.816 2 U 2.220e+03 0.00e+00 e 0 944 959 945 0 1288 25.158 8.370 0.829 2 U 2.669e+04 0.00e+00 e 0 948 937 946 0 1289 25.158 3.921 0.829 2 U 2.412e+04 0.00e+00 e 0 948 939 946 0 1290 25.158 1.308 0.829 2 U 9.380e+04 0.00e+00 e 0 948 941 946 0 1291 25.158 1.865 0.829 2 U 3.830e+04 0.00e+00 e 0 948 942 946 0 1292 25.158 1.816 0.829 2 U 9.810e+04 0.00e+00 e 0 948 945 946 0 1293 25.158 0.829 0.829 3 U 1.000e+06 0.00e+00 e 0 948 946 946 0 1294 25.158 0.843 0.829 2 U 2.980e+05 0.00e+00 e 0 948 947 946 0 1295 25.158 7.313 0.829 2 U 4.280e+03 0.00e+00 e 0 948 959 946 0 1296 23.447 8.370 0.843 2 U 1.008e+04 0.00e+00 e 0 952 937 947 0 1297 23.447 3.921 0.843 2 U 4.570e+04 0.00e+00 e 0 952 939 947 0 1298 23.447 1.308 0.843 2 U 6.500e+04 0.00e+00 e 0 952 941 947 0 1299 23.447 1.865 0.843 2 U 2.430e+04 0.00e+00 e 0 952 942 947 0 1300 23.447 1.816 0.843 2 U 5.080e+04 0.00e+00 e 0 952 945 947 0 1301 23.447 0.829 0.843 2 U 9.630e+05 0.00e+00 e 0 952 946 947 0 1302 23.447 0.843 0.843 3 U 1.000e+06 0.00e+00 e 0 952 947 947 0 1303 23.447 7.313 0.843 2 U 1.390e+03 0.00e+00 e 0 952 959 947 0 1304 58.783 7.313 4.033 2 U -1.820e+04 0.00e+00 e 0 960 959 961 0 1305 58.783 4.033 4.033 3 U 1.000e+06 0.00e+00 e 0 960 961 961 0 1306 58.783 2.038 4.033 2 U -2.750e+04 0.00e+00 e 0 960 963 961 0 1307 58.783 2.081 4.033 2 U -3.650e+04 0.00e+00 e 0 960 964 961 0 1308 58.783 2.286 4.033 2 U -2.930e+04 0.00e+00 e 0 960 969 961 0 1309 58.783 7.701 4.033 2 U -3.920e+03 0.00e+00 e 0 960 974 961 0 1310 58.783 7.517 4.033 2 U -5.294e+03 0.00e+00 e 0 960 1017 961 0 1311 58.783 1.947 4.033 2 U -1.027e+04 0.00e+00 e 0 960 1023 961 0 1312 28.870 3.490 2.038 2 U 1.970e+03 0.00e+00 e 0 962 922 963 0 1313 28.870 3.851 2.038 2 U 1.626e+03 0.00e+00 e 0 962 923 963 0 1314 28.870 7.313 2.038 2 U 7.650e+03 0.00e+00 e 0 962 959 963 0 1315 28.870 4.033 2.038 2 U 2.000e+04 0.00e+00 e 0 962 961 963 0 1316 28.870 2.038 2.038 3 U 1.000e+06 0.00e+00 e 0 962 963 963 0 1317 28.870 2.081 2.038 2 U 0.000e+00 0.00e+00 - 0 962 964 963 0 1318 28.870 2.286 2.038 2 U 2.550e+04 0.00e+00 e 0 962 969 963 0 1319 28.870 7.701 2.038 2 U 3.140e+03 0.00e+00 e 0 962 974 963 0 1320 28.870 3.490 2.081 2 U 1.330e+03 0.00e+00 e 0 962 922 964 0 1321 28.870 3.851 2.081 2 U 1.772e+03 0.00e+00 e 0 962 923 964 0 1322 28.870 7.313 2.081 2 U 2.570e+04 0.00e+00 e 0 962 959 964 0 1323 28.870 4.033 2.081 2 U 2.280e+04 0.00e+00 e 0 962 961 964 0 1324 28.870 2.038 2.081 2 U 0.000e+00 0.00e+00 - 0 962 963 964 0 1325 28.870 2.081 2.081 3 U 1.000e+06 0.00e+00 e 0 962 964 964 0 1326 28.870 2.286 2.081 2 U 3.010e+04 0.00e+00 e 0 962 969 964 0 1327 28.870 7.701 2.081 2 U 3.080e+03 0.00e+00 e 0 962 974 964 0 1328 35.587 7.313 2.286 2 U 4.065e+04 0.00e+00 e 0 966 959 969 0 1329 35.587 4.033 2.286 2 U 4.410e+04 0.00e+00 e 0 966 961 969 0 1330 35.587 2.038 2.286 2 U 4.280e+04 0.00e+00 e 0 966 963 969 0 1331 35.587 2.081 2.286 2 U 4.730e+04 0.00e+00 e 0 966 964 969 0 1332 35.587 2.286 2.286 3 U 1.000e+06 0.00e+00 e 0 966 969 969 0 1333 35.587 7.701 2.286 2 U 7.860e+03 0.00e+00 e 0 966 974 969 0 1334 58.143 7.701 4.001 2 U -1.020e+04 0.00e+00 e 0 975 974 976 0 1335 58.143 4.001 4.001 3 U 1.000e+06 0.00e+00 e 0 975 976 976 0 1336 58.143 2.045 4.001 2 U -1.400e+04 0.00e+00 e 0 975 978 976 0 1337 58.143 1.382 4.001 2 U -1.050e+04 0.00e+00 e 0 975 979 976 0 1338 58.143 1.441 4.001 2 U -6.980e+03 0.00e+00 e 0 975 982 976 0 1339 58.143 0.725 4.001 2 U -4.770e+03 0.00e+00 e 0 975 983 976 0 1340 58.143 0.848 4.001 2 U -2.310e+04 0.00e+00 e 0 975 984 976 0 1341 58.143 7.515 4.001 2 U -5.850e+03 0.00e+00 e 0 975 996 976 0 1342 58.143 7.633 4.001 2 U -3.580e+03 0.00e+00 e 0 975 1042 976 0 1343 58.143 2.155 4.001 2 U -6.100e+03 0.00e+00 e 0 975 1046 976 0 1344 41.367 3.641 2.045 2 U 1.300e+03 0.00e+00 e 0 977 929 978 0 1345 41.367 7.701 2.045 2 U 1.400e+03 0.00e+00 e 0 977 974 978 0 1346 41.367 4.001 2.045 2 U 1.070e+03 0.00e+00 e 0 977 976 978 0 1347 41.367 2.045 2.045 3 U 1.000e+06 0.00e+00 e 0 977 978 978 0 1348 41.367 1.382 2.045 2 U 1.190e+04 0.00e+00 e 0 977 979 978 0 1349 41.367 1.441 2.045 2 U 2.670e+03 0.00e+00 e 0 977 982 978 0 1350 41.367 0.725 2.045 2 U 3.140e+03 0.00e+00 e 0 977 983 978 0 1351 41.367 0.848 2.045 2 U 3.880e+03 0.00e+00 e 0 977 984 978 0 1352 41.367 7.515 2.045 2 U 2.420e+03 0.00e+00 e 0 977 996 978 0 1353 41.367 3.641 1.382 2 U 1.390e+03 0.00e+00 e 0 977 929 979 0 1354 41.367 7.701 1.382 2 U 5.920e+03 0.00e+00 e 0 977 974 979 0 1355 41.367 4.001 1.382 2 U 4.020e+03 0.00e+00 e 0 977 976 979 0 1356 41.367 2.045 1.382 2 U 7.180e+03 0.00e+00 e 0 977 978 979 0 1357 41.367 1.382 1.382 3 U 1.000e+06 0.00e+00 e 0 977 979 979 0 1358 41.367 1.441 1.382 2 U 2.920e+03 0.00e+00 e 0 977 982 979 0 1359 41.367 0.725 1.382 2 U 3.470e+03 0.00e+00 e 0 977 983 979 0 1360 41.367 0.848 1.382 2 U 5.470e+03 0.00e+00 e 0 977 984 979 0 1362 26.598 7.701 1.441 2 U 8.370e+02 0.00e+00 e 0 981 974 982 0 1363 26.598 4.001 1.441 2 U 3.440e+03 0.00e+00 e 0 981 976 982 0 1364 26.598 2.045 1.441 2 U 9.040e+03 0.00e+00 e 0 981 978 982 0 1365 26.598 1.382 1.441 2 U 1.350e+04 0.00e+00 e 0 981 979 982 0 1366 26.598 1.441 1.441 3 U 1.000e+06 0.00e+00 e 0 981 982 982 0 1367 26.598 0.725 1.441 2 U 1.620e+04 0.00e+00 e 0 981 983 982 0 1368 26.598 0.848 1.441 2 U 1.570e+04 0.00e+00 e 0 981 984 982 0 1369 26.598 7.515 1.441 2 U 2.770e+03 0.00e+00 e 0 981 996 982 0 1370 26.110 7.701 0.725 2 U 3.900e+03 0.00e+00 e 0 985 974 983 0 1371 26.110 4.001 0.725 2 U 1.030e+04 0.00e+00 e 0 985 976 983 0 1372 26.110 2.045 0.725 2 U 3.260e+04 0.00e+00 e 0 985 978 983 0 1373 26.110 1.382 0.725 2 U 2.160e+04 0.00e+00 e 0 985 979 983 0 1374 26.110 1.441 0.725 2 U 3.780e+04 0.00e+00 e 0 985 982 983 0 1375 26.110 0.725 0.725 3 U 1.000e+06 0.00e+00 e 0 985 983 983 0 1376 26.110 0.848 0.725 2 U 8.680e+04 0.00e+00 e 0 985 984 983 0 1377 26.110 7.515 0.725 2 U 3.690e+03 0.00e+00 e 0 985 996 983 0 1378 23.759 7.701 0.848 2 U 1.746e+04 0.00e+00 e 0 989 974 984 0 1379 23.759 4.001 0.848 2 U 8.110e+04 0.00e+00 e 0 989 976 984 0 1380 23.759 2.045 0.848 2 U 1.720e+04 0.00e+00 e 0 989 978 984 0 1381 23.759 1.382 0.848 2 U 1.800e+04 0.00e+00 e 0 989 979 984 0 1382 23.759 1.441 0.848 2 U 5.040e+04 0.00e+00 e 0 989 982 984 0 1383 23.759 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24.767 3.717 1.337 2 U 7.570e+04 0.00e+00 e 0 1326 1317 1321 0 1834 24.767 2.432 1.337 2 U 7.490e+04 0.00e+00 e 0 1326 1319 1321 0 1835 24.767 0.558 1.337 2 U 1.210e+05 0.00e+00 e 0 1326 1320 1321 0 1836 24.767 1.337 1.337 3 U 1.000e+06 0.00e+00 e 0 1326 1321 1321 0 1837 24.767 8.566 1.337 2 U 1.020e+04 0.00e+00 e 0 1326 1333 1321 0 1838 61.835 8.566 3.781 2 U -1.790e+04 0.00e+00 e 0 1334 1333 1335 0 1839 61.835 3.781 3.781 3 U 1.000e+06 0.00e+00 e 0 1334 1335 1335 0 1840 61.835 1.920 3.781 2 U -2.820e+04 0.00e+00 e 0 1334 1337 1335 0 1841 61.835 2.054 3.781 2 U -2.490e+04 0.00e+00 e 0 1334 1338 1335 0 1842 61.835 1.482 3.781 2 U -1.020e+04 0.00e+00 e 0 1334 1341 1335 0 1843 61.835 1.525 3.781 2 U -1.200e+04 0.00e+00 e 0 1334 1342 1335 0 1844 61.835 1.682 3.781 2 U 0.000e+00 0.00e+00 e 0 1334 1345 1335 0 1845 61.835 1.723 3.781 2 U -9.070e+02 0.00e+00 e 0 1334 1346 1335 0 1847 61.835 8.348 3.781 2 U -1.930e+03 0.00e+00 e 0 1334 1358 1335 0 1848 61.835 9.623 3.781 2 U -2.310e+03 0.00e+00 e 0 1334 1383 1335 0 1849 61.835 3.116 3.781 2 U -7.360e+03 0.00e+00 e 0 1334 1387 1335 0 1850 61.835 2.970 3.781 2 U -7.080e+03 0.00e+00 e 0 1334 1388 1335 0 1851 31.475 3.966 1.920 2 U 7.600e+02 0.00e+00 e 0 1336 1292 1337 0 1852 31.475 8.566 1.920 2 U 1.180e+04 0.00e+00 e 0 1336 1333 1337 0 1853 31.475 3.781 1.920 2 U 9.470e+03 0.00e+00 e 0 1336 1335 1337 0 1854 31.475 1.920 1.920 3 U 1.000e+06 0.00e+00 e 0 1336 1337 1337 0 1855 31.475 2.054 1.920 2 U 1.650e+04 0.00e+00 e 0 1336 1338 1337 0 1856 31.475 1.482 1.920 2 U 1.290e+04 0.00e+00 e 0 1336 1341 1337 0 1857 31.475 1.525 1.920 2 U 1.310e+04 0.00e+00 e 0 1336 1342 1337 0 1858 31.475 1.682 1.920 2 U 0.000e+00 0.00e+00 - 0 1336 1345 1337 0 1859 31.475 1.723 1.920 2 U 3.000e+03 0.00e+00 e 0 1336 1346 1337 0 1861 31.475 8.348 1.920 2 U 4.560e+03 0.00e+00 e 0 1336 1358 1337 0 1862 31.475 3.966 2.054 2 U 2.380e+03 0.00e+00 e 0 1336 1292 1338 0 1863 31.475 8.566 2.054 2 U 1.280e+04 0.00e+00 e 0 1336 1333 1338 0 1864 31.475 3.781 2.054 2 U 7.760e+03 0.00e+00 e 0 1336 1335 1338 0 1865 31.475 1.920 2.054 2 U 9.370e+03 0.00e+00 e 0 1336 1337 1338 0 1866 31.475 2.054 2.054 3 U 1.000e+06 0.00e+00 e 0 1336 1338 1338 0 1867 31.475 1.482 2.054 2 U 0.000e+00 0.00e+00 - 0 1336 1341 1338 0 1868 31.475 1.525 2.054 2 U 0.000e+00 0.00e+00 - 0 1336 1342 1338 0 1869 31.475 1.682 2.054 2 U 0.000e+00 0.00e+00 - 0 1336 1345 1338 0 1870 31.475 1.723 2.054 2 U 0.000e+00 0.00e+00 - 0 1336 1346 1338 0 1872 31.475 8.348 2.054 2 U 9.640e+03 0.00e+00 e 0 1336 1358 1338 0 1873 24.910 8.566 1.482 2 U 4.490e+03 0.00e+00 e 0 1340 1333 1341 0 1874 24.910 3.781 1.482 2 U 1.150e+04 0.00e+00 e 0 1340 1335 1341 0 1875 24.910 1.920 1.482 2 U 0.000e+00 0.00e+00 - 0 1340 1337 1341 0 1876 24.910 2.054 1.482 2 U 0.000e+00 0.00e+00 - 0 1340 1338 1341 0 1877 24.910 1.482 1.482 3 U 1.000e+06 0.00e+00 e 0 1340 1341 1341 0 1878 24.910 1.525 1.482 2 U 0.000e+00 0.00e+00 - 0 1340 1342 1341 0 1879 24.910 1.682 1.482 2 U 0.000e+00 0.00e+00 - 0 1340 1345 1341 0 1880 24.910 1.723 1.482 2 U 0.000e+00 0.00e+00 - 0 1340 1346 1341 0 1881 24.910 2.986 1.482 2 U 4.620e+04 0.00e+00 e 0 1340 1351 1341 0 1882 24.910 8.348 1.482 2 U 2.610e+03 0.00e+00 e 0 1340 1358 1341 0 1883 24.910 8.566 1.525 2 U 2.760e+03 0.00e+00 e 0 1340 1333 1342 0 1884 24.910 3.781 1.525 2 U 6.430e+03 0.00e+00 e 0 1340 1335 1342 0 1885 24.910 1.920 1.525 2 U 1.720e+04 0.00e+00 e 0 1340 1337 1342 0 1886 24.910 2.054 1.525 2 U 0.000e+00 0.00e+00 - 0 1340 1338 1342 0 1887 24.910 1.482 1.525 2 U 0.000e+00 0.00e+00 - 0 1340 1341 1342 0 1888 24.910 1.525 1.525 3 U 1.000e+06 0.00e+00 e 0 1340 1342 1342 0 1889 24.910 1.682 1.525 2 U 0.000e+00 0.00e+00 - 0 1340 1345 1342 0 1890 24.910 1.723 1.525 2 U 0.000e+00 0.00e+00 - 0 1340 1346 1342 0 1891 24.910 2.986 1.525 2 U 4.110e+04 0.00e+00 e 0 1340 1351 1342 0 1892 24.910 8.348 1.525 2 U 2.420e+03 0.00e+00 e 0 1340 1358 1342 0 1893 29.256 8.566 1.682 2 U 2.580e+03 0.00e+00 e 0 1344 1333 1345 0 1894 29.256 3.781 1.682 2 U 1.460e+03 0.00e+00 e 0 1344 1335 1345 0 1895 29.256 1.920 1.682 2 U 0.000e+00 0.00e+00 - 0 1344 1337 1345 0 1896 29.256 2.054 1.682 2 U 0.000e+00 0.00e+00 - 0 1344 1338 1345 0 1897 29.256 1.482 1.682 2 U 0.000e+00 0.00e+00 - 0 1344 1341 1345 0 1898 29.256 1.525 1.682 2 U 0.000e+00 0.00e+00 - 0 1344 1342 1345 0 1899 29.256 1.682 1.682 3 U 1.000e+06 0.00e+00 e 0 1344 1345 1345 0 1900 29.256 1.723 1.682 2 U 0.000e+00 0.00e+00 - 0 1344 1346 1345 0 1901 29.256 2.986 1.682 2 U 5.150e+04 0.00e+00 e 0 1344 1351 1345 0 1903 29.256 8.566 1.723 2 U 1.150e+03 0.00e+00 e 0 1344 1333 1346 0 1904 29.256 3.781 1.723 2 U 1.640e+03 0.00e+00 e 0 1344 1335 1346 0 1905 29.256 1.920 1.723 2 U 0.000e+00 0.00e+00 - 0 1344 1337 1346 0 1906 29.256 2.054 1.723 2 U 0.000e+00 0.00e+00 - 0 1344 1338 1346 0 1907 29.256 1.482 1.723 2 U 0.000e+00 0.00e+00 - 0 1344 1341 1346 0 1908 29.256 1.525 1.723 2 U 0.000e+00 0.00e+00 - 0 1344 1342 1346 0 1909 29.256 1.682 1.723 2 U 0.000e+00 0.00e+00 - 0 1344 1345 1346 0 1910 29.256 1.723 1.723 3 U 1.000e+06 0.00e+00 e 0 1344 1346 1346 0 1911 29.256 2.986 1.723 2 U 6.560e+04 0.00e+00 e 0 1344 1351 1346 0 1915 41.937 1.920 2.986 2 U 7.880e+03 0.00e+00 e 0 1348 1337 1351 0 1916 41.937 2.054 2.986 2 U 1.060e+04 0.00e+00 e 0 1348 1338 1351 0 1917 41.937 1.482 2.986 2 U 3.750e+04 0.00e+00 e 0 1348 1341 1351 0 1918 41.937 1.525 2.986 2 U 4.890e+04 0.00e+00 e 0 1348 1342 1351 0 1919 41.937 1.682 2.986 2 U 8.620e+04 0.00e+00 e 0 1348 1345 1351 0 1920 41.937 1.723 2.986 2 U 8.770e+04 0.00e+00 e 0 1348 1346 1351 0 1921 41.937 2.986 2.986 3 U 1.000e+06 0.00e+00 e 0 1348 1351 1351 0 1923 57.275 8.348 4.486 2 U -9.940e+03 0.00e+00 e 0 1359 1358 1360 0 1924 57.275 4.486 4.486 3 U 1.000e+06 0.00e+00 e 0 1359 1360 1360 0 1925 57.275 2.630 4.486 2 U 0.000e+00 0.00e+00 - 0 1359 1362 1360 0 1926 57.275 2.664 4.486 2 U -1.110e+04 0.00e+00 e 0 1359 1363 1360 0 1927 57.275 7.686 4.486 2 U -4.880e+03 0.00e+00 e 0 1359 1369 1360 0 1929 57.275 1.582 4.486 2 U -9.480e+02 0.00e+00 e 0 1359 1410 1360 0 1930 57.275 1.947 4.486 2 U -2.300e+03 0.00e+00 e 0 1359 1411 1360 0 1932 40.026 8.348 2.630 2 U 6.580e+03 0.00e+00 e 0 1361 1358 1362 0 1933 40.026 4.486 2.630 2 U 5.760e+03 0.00e+00 e 0 1361 1360 1362 0 1934 40.026 2.630 2.630 3 U 1.000e+06 0.00e+00 e 0 1361 1362 1362 0 1935 40.026 2.664 2.630 2 U 0.000e+00 0.00e+00 - 0 1361 1363 1362 0 1938 40.026 8.348 2.664 2 U 1.550e+04 0.00e+00 e 0 1361 1358 1363 0 1939 40.026 4.486 2.664 2 U 8.950e+03 0.00e+00 e 0 1361 1360 1363 0 1940 40.026 2.630 2.664 2 U 1.500e+04 0.00e+00 e 0 1361 1362 1363 0 1941 40.026 2.664 2.664 3 U 1.000e+06 0.00e+00 e 0 1361 1363 1363 0 1943 55.536 7.686 4.541 2 U -4.850e+03 0.00e+00 e 0 1370 1369 1371 0 1944 55.536 4.541 4.541 3 U 1.000e+06 0.00e+00 e 0 1370 1371 1371 0 1945 55.536 2.802 4.541 2 U -8.500e+02 0.00e+00 e 0 1370 1373 1371 0 1946 55.536 2.461 4.541 2 U -3.880e+03 0.00e+00 e 0 1370 1374 1371 0 1949 55.536 9.623 4.541 2 U -4.410e+03 0.00e+00 e 0 1370 1383 1371 0 1950 55.536 7.659 4.541 2 U -3.570e+03 0.00e+00 e 0 1370 1428 1371 0 1951 55.536 2.089 4.541 2 U -5.310e+03 0.00e+00 e 0 1370 1434 1371 0 1952 38.627 3.717 2.802 2 U 2.620e+03 0.00e+00 e 0 1372 1317 1373 0 1953 38.627 7.686 2.802 2 U 5.280e+03 0.00e+00 e 0 1372 1369 1373 0 1955 38.627 2.802 2.802 3 U 1.000e+06 0.00e+00 e 0 1372 1373 1373 0 1956 38.627 2.461 2.802 2 U 6.160e+03 0.00e+00 e 0 1372 1374 1373 0 1960 38.627 3.717 2.461 2 U 2.260e+03 0.00e+00 e 0 1372 1317 1374 0 1961 38.627 7.686 2.461 2 U 2.260e+03 0.00e+00 e 0 1372 1369 1374 0 1962 38.627 4.541 2.461 2 U 3.500e+03 0.00e+00 e 0 1372 1371 1374 0 1963 38.627 2.802 2.461 2 U 1.950e+04 0.00e+00 e 0 1372 1373 1374 0 1964 38.627 2.461 2.461 3 U 1.000e+06 0.00e+00 e 0 1372 1374 1374 0 1965 38.627 8.019 2.461 2 U 2.860e+03 0.00e+00 e 0 1372 1378 1374 0 1968 60.879 9.623 4.057 2 U -7.590e+03 0.00e+00 e 0 1384 1383 1385 0 1969 60.879 4.057 4.057 3 U 1.000e+06 0.00e+00 e 0 1384 1385 1385 0 1970 60.879 3.116 4.057 2 U -4.140e+03 0.00e+00 e 0 1384 1387 1385 0 1971 60.879 2.970 4.057 2 U -1.140e+04 0.00e+00 e 0 1384 1388 1385 0 1972 60.879 6.920 4.057 2 U -9.260e+03 0.00e+00 e 0 1384 1390 1385 0 1975 60.879 8.206 4.057 2 U -6.490e+03 0.00e+00 e 0 1384 1406 1385 0 1977 60.879 1.563 4.057 2 U -3.660e+03 0.00e+00 e 0 1384 1447 1385 0 1978 60.879 1.794 4.057 2 U -1.271e+03 0.00e+00 e 0 1384 1448 1385 0 1980 39.474 9.623 3.116 2 U 1.400e+03 0.00e+00 e 0 1386 1383 1387 0 1981 39.474 4.057 3.116 2 U -4.460e+02 0.00e+00 e 0 1386 1385 1387 0 1982 39.474 3.116 3.116 3 U 1.000e+06 0.00e+00 e 0 1386 1387 1387 0 1983 39.474 2.970 3.116 2 U -2.400e+01 0.00e+00 e 0 1386 1388 1387 0 1990 39.474 4.057 2.970 2 U 1.060e+03 0.00e+00 e 0 1386 1385 1388 0 1991 39.474 3.116 2.970 2 U 0.000e+00 0.00e+00 - 0 1386 1387 1388 0 1992 39.474 2.970 2.970 3 U 1.000e+06 0.00e+00 e 0 1386 1388 1388 0 1997 56.965 8.206 3.894 2 U -3.010e+03 0.00e+00 e 0 1407 1406 1408 0 1998 56.965 3.894 3.894 3 U 1.000e+06 0.00e+00 e 0 1407 1408 1408 0 1999 56.965 1.582 3.894 2 U -1.640e+04 0.00e+00 e 0 1407 1410 1408 0 2000 56.965 1.947 3.894 2 U -1.150e+04 0.00e+00 e 0 1407 1411 1408 0 2001 56.965 2.062 3.894 2 U -3.500e+03 0.00e+00 e 0 1407 1414 1408 0 2002 56.965 0.878 3.894 2 U -3.400e+04 0.00e+00 e 0 1407 1415 1408 0 2003 56.965 1.028 3.894 2 U -2.500e+03 0.00e+00 e 0 1407 1416 1408 0 2004 56.965 7.659 3.894 2 U -1.160e+03 0.00e+00 e 0 1407 1428 1408 0 2005 56.965 8.216 3.894 2 U -2.840e+03 0.00e+00 e 0 1407 1465 1408 0 2006 56.965 1.871 3.894 2 U -1.190e+04 0.00e+00 e 0 1407 1469 1408 0 2007 40.415 4.486 1.582 2 U 1.800e+03 0.00e+00 e 0 1409 1360 1410 0 2008 40.415 8.206 1.582 2 U 1.078e+04 0.00e+00 e 0 1409 1406 1410 0 2009 40.415 3.894 1.582 2 U 1.670e+04 0.00e+00 e 0 1409 1408 1410 0 2010 40.415 1.582 1.582 3 U 1.000e+06 0.00e+00 e 0 1409 1410 1410 0 2011 40.415 1.947 1.582 2 U 6.510e+04 0.00e+00 e 0 1409 1411 1410 0 2012 40.415 2.062 1.582 2 U 9.100e+03 0.00e+00 e 0 1409 1414 1410 0 2013 40.415 0.878 1.582 2 U 1.170e+04 0.00e+00 e 0 1409 1415 1410 0 2014 40.415 1.028 1.582 2 U 1.990e+04 0.00e+00 e 0 1409 1416 1410 0 2015 40.415 7.659 1.582 2 U 1.310e+03 0.00e+00 e 0 1409 1428 1410 0 2016 40.415 4.486 1.947 2 U 3.944e+03 0.00e+00 e 0 1409 1360 1411 0 2017 40.415 8.206 1.947 2 U 1.320e+04 0.00e+00 e 0 1409 1406 1411 0 2018 40.415 3.894 1.947 2 U 1.260e+04 0.00e+00 e 0 1409 1408 1411 0 2019 40.415 1.582 1.947 2 U 8.440e+04 0.00e+00 e 0 1409 1410 1411 0 2020 40.415 1.947 1.947 3 U 1.000e+06 0.00e+00 e 0 1409 1411 1411 0 2021 40.415 2.062 1.947 2 U 1.030e+04 0.00e+00 e 0 1409 1414 1411 0 2022 40.415 0.878 1.947 2 U 1.310e+04 0.00e+00 e 0 1409 1415 1411 0 2023 40.415 1.028 1.947 2 U 1.840e+04 0.00e+00 e 0 1409 1416 1411 0 2024 40.415 7.659 1.947 2 U 4.280e+03 0.00e+00 e 0 1409 1428 1411 0 2025 27.021 8.206 2.062 2 U 1.690e+04 0.00e+00 e 0 1413 1406 1414 0 2026 27.021 3.894 2.062 2 U 8.840e+03 0.00e+00 e 0 1413 1408 1414 0 2027 27.021 1.582 2.062 2 U 1.880e+04 0.00e+00 e 0 1413 1410 1414 0 2028 27.021 1.947 2.062 2 U 1.650e+04 0.00e+00 e 0 1413 1411 1414 0 2029 27.021 2.062 2.062 3 U 1.000e+06 0.00e+00 e 0 1413 1414 1414 0 2030 27.021 0.878 2.062 2 U 4.640e+04 0.00e+00 e 0 1413 1415 1414 0 2031 27.021 1.028 2.062 2 U 2.420e+04 0.00e+00 e 0 1413 1416 1414 0 2032 27.021 7.659 2.062 2 U 1.910e+03 0.00e+00 e 0 1413 1428 1414 0 2033 22.147 8.206 0.878 2 U 1.380e+04 0.00e+00 e 0 1417 1406 1415 0 2034 22.147 3.894 0.878 2 U 8.000e+04 0.00e+00 e 0 1417 1408 1415 0 2035 22.147 1.582 0.878 2 U 7.030e+04 0.00e+00 e 0 1417 1410 1415 0 2036 22.147 1.947 0.878 2 U 3.950e+04 0.00e+00 e 0 1417 1411 1415 0 2037 22.147 2.062 0.878 2 U 8.050e+04 0.00e+00 e 0 1417 1414 1415 0 2038 22.147 0.878 0.878 3 U 1.000e+06 0.00e+00 e 0 1417 1415 1415 0 2039 22.147 1.028 0.878 2 U 1.020e+05 0.00e+00 e 0 1417 1416 1415 0 2040 22.147 7.659 0.878 2 U 2.220e+03 0.00e+00 e 0 1417 1428 1415 0 2041 25.294 8.206 1.028 2 U 1.110e+04 0.00e+00 e 0 1421 1406 1416 0 2042 25.294 3.894 1.028 2 U 2.043e+04 0.00e+00 e 0 1421 1408 1416 0 2043 25.294 1.582 1.028 2 U 7.280e+04 0.00e+00 e 0 1421 1410 1416 0 2044 25.294 1.947 1.028 2 U 5.060e+04 0.00e+00 e 0 1421 1411 1416 0 2045 25.294 2.062 1.028 2 U 5.710e+04 0.00e+00 e 0 1421 1414 1416 0 2046 25.294 0.878 1.028 2 U 1.430e+05 0.00e+00 e 0 1421 1415 1416 0 2047 25.294 1.028 1.028 3 U 1.000e+06 0.00e+00 e 0 1421 1416 1416 0 2048 25.294 7.659 1.028 2 U 4.960e+03 0.00e+00 e 0 1421 1428 1416 0 2049 59.499 7.659 4.149 2 U -9.090e+03 0.00e+00 e 0 1429 1428 1430 0 2050 59.499 4.149 4.149 3 U 1.000e+06 0.00e+00 e 0 1429 1430 1430 0 2051 59.499 2.089 4.149 2 U -4.860e+04 0.00e+00 e 0 1429 1434 1430 0 2052 59.499 2.298 4.149 2 U -2.130e+04 0.00e+00 e 0 1429 1438 1430 0 2053 59.499 8.104 4.149 2 U -2.300e+03 0.00e+00 e 0 1429 1443 1430 0 2054 59.499 8.450 4.149 2 U -2.120e+03 0.00e+00 e 0 1429 1483 1430 0 2055 59.499 2.013 4.149 2 U -1.520e+04 0.00e+00 e 0 1429 1487 1430 0 2056 59.499 1.620 4.149 2 U -6.080e+03 0.00e+00 e 0 1429 1488 1430 0 2058 28.715 7.659 2.089 2 U 1.050e+04 0.00e+00 e 0 1431 1428 1434 0 2059 28.715 4.149 2.089 2 U 3.810e+03 0.00e+00 e 0 1431 1430 1434 0 2060 28.715 2.089 2.089 3 U 1.000e+06 0.00e+00 e 0 1431 1434 1434 0 2061 28.715 2.298 2.089 2 U 2.660e+04 0.00e+00 e 0 1431 1438 1434 0 2063 35.848 7.659 2.298 2 U 4.310e+03 0.00e+00 e 0 1435 1428 1438 0 2064 35.848 4.149 2.298 2 U 1.580e+04 0.00e+00 e 0 1435 1430 1438 0 2065 35.848 2.089 2.298 2 U 0.000e+00 0.00e+00 - 0 1435 1434 1438 0 2066 35.848 2.298 2.298 3 U 1.000e+06 0.00e+00 e 0 1435 1438 1438 0 2068 59.281 8.104 3.598 2 U -7.430e+03 0.00e+00 e 0 1444 1443 1445 0 2069 59.281 3.598 3.598 3 U 1.000e+06 0.00e+00 e 0 1444 1445 1445 0 2070 59.281 1.563 3.598 2 U -6.710e+03 0.00e+00 e 0 1444 1447 1445 0 2071 59.281 1.794 3.598 2 U -6.900e+03 0.00e+00 e 0 1444 1448 1445 0 2072 59.281 1.471 3.598 2 U -6.960e+03 0.00e+00 e 0 1444 1451 1445 0 2073 59.281 0.702 3.598 2 U -2.930e+03 0.00e+00 e 0 1444 1452 1445 0 2074 59.281 0.722 3.598 2 U -3.360e+03 0.00e+00 e 0 1444 1453 1445 0 2075 59.281 8.216 3.598 2 U -8.440e+03 0.00e+00 e 0 1444 1465 1445 0 2079 41.826 4.057 1.563 2 U 2.220e+03 0.00e+00 e 0 1446 1385 1447 0 2080 41.826 8.104 1.563 2 U 7.080e+03 0.00e+00 e 0 1446 1443 1447 0 2081 41.826 3.598 1.563 2 U 4.550e+03 0.00e+00 e 0 1446 1445 1447 0 2082 41.826 1.563 1.563 3 U 1.000e+06 0.00e+00 e 0 1446 1447 1447 0 2083 41.826 1.794 1.563 2 U 1.290e+04 0.00e+00 e 0 1446 1448 1447 0 2084 41.826 1.471 1.563 2 U 4.400e+04 0.00e+00 e 0 1446 1451 1447 0 2085 41.826 0.702 1.563 2 U 5.690e+03 0.00e+00 e 0 1446 1452 1447 0 2086 41.826 0.722 1.563 2 U 5.080e+03 0.00e+00 e 0 1446 1453 1447 0 2087 41.826 8.216 1.563 2 U 1.680e+03 0.00e+00 e 0 1446 1465 1447 0 2088 41.826 4.057 1.794 2 U 2.040e+03 0.00e+00 e 0 1446 1385 1448 0 2089 41.826 8.104 1.794 2 U 6.700e+03 0.00e+00 e 0 1446 1443 1448 0 2090 41.826 3.598 1.794 2 U 3.770e+03 0.00e+00 e 0 1446 1445 1448 0 2091 41.826 1.563 1.794 2 U 2.600e+04 0.00e+00 e 0 1446 1447 1448 0 2092 41.826 1.794 1.794 3 U 1.000e+06 0.00e+00 e 0 1446 1448 1448 0 2093 41.826 1.471 1.794 2 U 2.110e+02 0.00e+00 e 0 1446 1451 1448 0 2094 41.826 0.702 1.794 2 U 9.630e+03 0.00e+00 e 0 1446 1452 1448 0 2095 41.826 0.722 1.794 2 U 5.660e+03 0.00e+00 e 0 1446 1453 1448 0 2096 41.826 8.216 1.794 2 U 7.340e+03 0.00e+00 e 0 1446 1465 1448 0 2098 26.770 3.598 1.471 2 U 9.910e+02 0.00e+00 e 0 1450 1445 1451 0 2099 26.770 1.563 1.471 2 U 0.000e+00 0.00e+00 - 0 1450 1447 1451 0 2100 26.770 1.794 1.471 2 U 1.350e+04 0.00e+00 e 0 1450 1448 1451 0 2101 26.770 1.471 1.471 3 U 1.000e+06 0.00e+00 e 0 1450 1451 1451 0 2102 26.770 0.702 1.471 2 U 3.320e+03 0.00e+00 e 0 1450 1452 1451 0 2103 26.770 0.722 1.471 2 U 8.590e+03 0.00e+00 e 0 1450 1453 1451 0 2105 28.287 8.104 0.702 2 U 2.250e+03 0.00e+00 e 0 1454 1443 1452 0 2106 28.287 3.598 0.702 2 U 2.700e+03 0.00e+00 e 0 1454 1445 1452 0 2107 28.287 1.563 0.702 2 U 4.130e+04 0.00e+00 e 0 1454 1447 1452 0 2108 28.287 1.794 0.702 2 U 1.540e+04 0.00e+00 e 0 1454 1448 1452 0 2109 28.287 1.471 0.702 2 U 4.660e+04 0.00e+00 e 0 1454 1451 1452 0 2110 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1791 1802 1792 0 2583 27.430 8.221 1.374 2 U 6.020e+03 0.00e+00 e 0 1791 1781 1793 0 2584 27.430 3.692 1.374 2 U 6.660e+03 0.00e+00 e 0 1791 1783 1793 0 2585 27.430 1.548 1.374 2 U 1.370e+04 0.00e+00 e 0 1791 1785 1793 0 2586 27.430 0.657 1.374 2 U 5.870e+03 0.00e+00 e 0 1791 1786 1793 0 2587 27.430 1.065 1.374 2 U 5.070e+04 0.00e+00 e 0 1791 1792 1793 0 2588 27.430 1.374 1.374 3 U 1.000e+06 0.00e+00 e 0 1791 1793 1793 0 2589 27.430 0.566 1.374 2 U 2.080e+04 0.00e+00 e 0 1791 1795 1793 0 2590 27.430 7.927 1.374 2 U 9.490e+02 0.00e+00 e 0 1791 1802 1793 0 2591 13.350 8.221 0.566 2 U -7.500e+03 0.00e+00 e 0 1796 1781 1795 0 2592 13.350 3.692 0.566 2 U -7.540e+03 0.00e+00 e 0 1796 1783 1795 0 2593 13.350 1.548 0.566 2 U -4.510e+04 0.00e+00 e 0 1796 1785 1795 0 2594 13.350 0.657 0.566 2 U -8.050e+04 0.00e+00 e 0 1796 1786 1795 0 2595 13.350 1.065 0.566 2 U -2.930e+04 0.00e+00 e 0 1796 1792 1795 0 2596 13.350 1.374 0.566 2 U -3.560e+04 0.00e+00 e 0 1796 1793 1795 0 2597 13.350 0.566 0.566 3 U 1.000e+06 0.00e+00 e 0 1796 1795 1795 0 2598 13.350 7.927 0.566 2 U -1.710e+03 0.00e+00 e 0 1796 1802 1795 0 2599 67.331 7.927 3.476 2 U -6.700e+03 0.00e+00 e 0 1803 1802 1804 0 2600 67.331 3.476 3.476 3 U 1.000e+06 0.00e+00 e 0 1803 1804 1804 0 2601 67.331 4.090 3.476 2 U -2.680e+03 0.00e+00 e 0 1803 1806 1804 0 2602 67.331 1.004 3.476 2 U -1.910e+04 0.00e+00 e 0 1803 1807 1804 0 2603 67.331 8.468 3.476 2 U -1.820e+03 0.00e+00 e 0 1803 1815 1804 0 2605 67.331 2.153 3.476 2 U -5.040e+03 0.00e+00 e 0 1803 1844 1804 0 2606 67.668 3.976 4.090 2 U -1.040e+04 0.00e+00 e 0 1805 1747 1806 0 2607 67.668 7.927 4.090 2 U -8.150e+03 0.00e+00 e 0 1805 1802 1806 0 2608 67.668 3.476 4.090 2 U -6.360e+03 0.00e+00 e 0 1805 1804 1806 0 2609 67.668 4.090 4.090 3 U 1.000e+06 0.00e+00 e 0 1805 1806 1806 0 2610 67.668 1.004 4.090 2 U -1.690e+04 0.00e+00 e 0 1805 1807 1806 0 2611 67.668 8.468 4.090 2 U -1.090e+04 0.00e+00 e 0 1805 1815 1806 0 2612 21.078 7.927 1.004 2 U -1.900e+04 0.00e+00 e 0 1809 1802 1807 0 2613 21.078 3.476 1.004 2 U -4.720e+04 0.00e+00 e 0 1809 1804 1807 0 2614 21.078 4.090 1.004 2 U -5.870e+04 0.00e+00 e 0 1809 1806 1807 0 2615 21.078 1.004 1.004 3 U 1.000e+06 0.00e+00 e 0 1809 1807 1807 0 2616 21.078 8.468 1.004 2 U -2.720e+04 0.00e+00 e 0 1809 1815 1807 0 2617 59.484 8.468 3.919 2 U -1.020e+04 0.00e+00 e 0 1816 1815 1817 0 2618 59.484 3.919 3.919 3 U 1.000e+06 0.00e+00 e 0 1816 1817 1817 0 2619 59.484 1.982 3.919 2 U -1.980e+04 0.00e+00 e 0 1816 1819 1817 0 2620 59.484 2.079 3.919 2 U -3.700e+04 0.00e+00 e 0 1816 1820 1817 0 2621 59.484 2.204 3.919 2 U -1.660e+04 0.00e+00 e 0 1816 1823 1817 0 2622 59.484 2.463 3.919 2 U -9.230e+03 0.00e+00 e 0 1816 1824 1817 0 2624 59.484 8.559 3.919 2 U -4.160e+03 0.00e+00 e 0 1816 1858 1817 0 2625 59.484 1.439 3.919 2 U -4.120e+03 0.00e+00 e 0 1816 1862 1817 0 2626 59.484 1.975 3.919 2 U -1.090e+04 0.00e+00 e 0 1816 1863 1817 0 2627 29.191 4.294 1.982 2 U 7.800e+03 0.00e+00 e 0 1818 1772 1819 0 2628 29.191 8.468 1.982 2 U 9.460e+03 0.00e+00 e 0 1818 1815 1819 0 2629 29.191 3.919 1.982 2 U 1.060e+04 0.00e+00 e 0 1818 1817 1819 0 2630 29.191 1.982 1.982 3 U 1.000e+06 0.00e+00 e 0 1818 1819 1819 0 2631 29.191 2.079 1.982 2 U 0.000e+00 0.00e+00 - 0 1818 1820 1819 0 2632 29.191 2.204 1.982 2 U 0.000e+00 0.00e+00 - 0 1818 1823 1819 0 2633 29.191 2.463 1.982 2 U 0.000e+00 0.00e+00 - 0 1818 1824 1819 0 2634 29.191 7.843 1.982 2 U 2.550e+03 0.00e+00 e 0 1818 1830 1819 0 2635 29.191 4.294 2.079 2 U 7.550e+03 0.00e+00 e 0 1818 1772 1820 0 2636 29.191 8.468 2.079 2 U 2.180e+03 0.00e+00 e 0 1818 1815 1820 0 2637 29.191 3.919 2.079 2 U 1.410e+04 0.00e+00 e 0 1818 1817 1820 0 2638 29.191 1.982 2.079 2 U 0.000e+00 0.00e+00 - 0 1818 1819 1820 0 2639 29.191 2.079 2.079 3 U 1.000e+06 0.00e+00 e 0 1818 1820 1820 0 2640 29.191 2.204 2.079 2 U 0.000e+00 0.00e+00 - 0 1818 1823 1820 0 2641 29.191 2.463 2.079 2 U 0.000e+00 0.00e+00 - 0 1818 1824 1820 0 2642 29.191 7.843 2.079 2 U 5.960e+03 0.00e+00 e 0 1818 1830 1820 0 2643 36.749 8.468 2.204 2 U 2.434e+04 0.00e+00 e 0 1822 1815 1823 0 2644 36.749 3.919 2.204 2 U 3.220e+04 0.00e+00 e 0 1822 1817 1823 0 2645 36.749 1.982 2.204 2 U 2.840e+04 0.00e+00 e 0 1822 1819 1823 0 2646 36.749 2.079 2.204 2 U 0.000e+00 0.00e+00 - 0 1822 1820 1823 0 2647 36.749 2.204 2.204 3 U 1.000e+06 0.00e+00 e 0 1822 1823 1823 0 2648 36.749 2.463 2.204 2 U 0.000e+00 0.00e+00 - 0 1822 1824 1823 0 2649 36.749 7.843 2.204 2 U 6.580e+03 0.00e+00 e 0 1822 1830 1823 0 2650 36.749 8.468 2.463 2 U 1.070e+04 0.00e+00 e 0 1822 1815 1824 0 2651 36.749 3.919 2.463 2 U 1.450e+04 0.00e+00 e 0 1822 1817 1824 0 2652 36.749 1.982 2.463 2 U 0.000e+00 0.00e+00 - 0 1822 1819 1824 0 2653 36.749 2.079 2.463 2 U 0.000e+00 0.00e+00 - 0 1822 1820 1824 0 2654 36.749 2.204 2.463 2 U 0.000e+00 0.00e+00 - 0 1822 1823 1824 0 2655 36.749 2.463 2.463 3 U 1.000e+06 0.00e+00 e 0 1822 1824 1824 0 2656 36.749 7.843 2.463 2 U 2.520e+03 0.00e+00 e 0 1822 1830 1824 0 2657 60.864 7.843 4.289 2 U -1.740e+04 0.00e+00 e 0 1831 1830 1832 0 2658 60.864 4.289 4.289 3 U 1.000e+06 0.00e+00 e 0 1831 1832 1832 0 2659 60.864 3.961 4.289 2 U -5.300e+04 0.00e+00 e 0 1831 1836 1832 0 2660 60.864 8.291 4.289 2 U -1.220e+03 0.00e+00 e 0 1831 1840 1832 0 2661 60.864 8.445 4.289 2 U -3.460e+03 0.00e+00 e 0 1831 1880 1832 0 2662 60.864 3.169 4.289 2 U -1.040e+04 0.00e+00 e 0 1831 1884 1832 0 2663 60.864 3.279 4.289 2 U -6.570e+03 0.00e+00 e 0 1831 1885 1832 0 2664 62.699 3.692 3.961 2 U -3.570e+04 0.00e+00 e 0 1833 1783 1836 0 2665 62.699 7.843 3.961 2 U -7.240e+04 0.00e+00 e 0 1833 1830 1836 0 2666 62.699 4.289 3.961 2 U -6.380e+04 0.00e+00 e 0 1833 1832 1836 0 2667 62.699 3.961 3.961 3 U 1.000e+06 0.00e+00 e 0 1833 1836 1836 0 2668 62.699 8.291 3.961 2 U -2.940e+04 0.00e+00 e 0 1833 1840 1836 0 2669 66.294 8.291 3.693 2 U -1.050e+04 0.00e+00 e 0 1841 1840 1842 0 2670 66.294 3.693 3.693 3 U 1.000e+06 0.00e+00 e 0 1841 1842 1842 0 2671 66.294 2.153 3.693 2 U -6.810e+03 0.00e+00 e 0 1841 1844 1842 0 2672 66.294 0.848 3.693 2 U -2.740e+04 0.00e+00 e 0 1841 1845 1842 0 2673 66.294 1.062 3.693 2 U -3.840e+04 0.00e+00 e 0 1841 1846 1842 0 2674 66.294 8.559 3.693 2 U -2.430e+03 0.00e+00 e 0 1841 1858 1842 0 2675 66.294 7.800 3.693 2 U 0.000e+00 0.00e+00 - 0 1841 1903 1842 0 2676 66.294 4.176 3.693 2 U -6.170e+03 0.00e+00 e 0 1841 1907 1842 0 2677 31.863 3.476 2.153 2 U 2.850e+03 0.00e+00 e 0 1843 1804 1844 0 2678 31.863 8.291 2.153 2 U 1.130e+04 0.00e+00 e 0 1843 1840 1844 0 2679 31.863 3.693 2.153 2 U 5.340e+03 0.00e+00 e 0 1843 1842 1844 0 2680 31.863 2.153 2.153 3 U 1.000e+06 0.00e+00 e 0 1843 1844 1844 0 2681 31.863 0.848 2.153 2 U 2.910e+04 0.00e+00 e 0 1843 1845 1844 0 2682 31.863 1.062 2.153 2 U 2.030e+04 0.00e+00 e 0 1843 1846 1844 0 2683 31.863 8.559 2.153 2 U 1.040e+04 0.00e+00 e 0 1843 1858 1844 0 2684 22.003 8.291 0.848 2 U 9.380e+03 0.00e+00 e 0 1847 1840 1845 0 2685 22.003 3.693 0.848 2 U 3.360e+04 0.00e+00 e 0 1847 1842 1845 0 2686 22.003 2.153 0.848 2 U 5.050e+04 0.00e+00 e 0 1847 1844 1845 0 2687 22.003 0.848 0.848 3 U 1.000e+06 0.00e+00 e 0 1847 1845 1845 0 2688 22.003 1.062 0.848 2 U 1.060e+05 0.00e+00 e 0 1847 1846 1845 0 2689 22.003 8.559 0.848 2 U 1.350e+04 0.00e+00 e 0 1847 1858 1845 0 2690 24.452 8.291 1.062 2 U 4.530e+04 0.00e+00 e 0 1851 1840 1846 0 2691 24.452 3.693 1.062 2 U 7.140e+04 0.00e+00 e 0 1851 1842 1846 0 2692 24.452 2.153 1.062 2 U 4.550e+04 0.00e+00 e 0 1851 1844 1846 0 2693 24.452 0.848 1.062 2 U 5.940e+04 0.00e+00 e 0 1851 1845 1846 0 2694 24.452 1.062 1.062 3 U 1.000e+06 0.00e+00 e 0 1851 1846 1846 0 2695 24.452 8.559 1.062 2 U 9.980e+03 0.00e+00 e 0 1851 1858 1846 0 2696 58.261 8.559 3.898 2 U -9.670e+03 0.00e+00 e 0 1859 1858 1860 0 2697 58.261 3.898 3.898 3 U 1.000e+06 0.00e+00 e 0 1859 1860 1860 0 2698 58.261 1.439 3.898 2 U -8.162e+03 0.00e+00 e 0 1859 1862 1860 0 2699 58.261 1.975 3.898 2 U -7.510e+03 0.00e+00 e 0 1859 1863 1860 0 2700 58.261 1.719 3.898 2 U -1.500e+04 0.00e+00 e 0 1859 1866 1860 0 2701 58.261 0.986 3.898 2 U -1.510e+04 0.00e+00 e 0 1859 1867 1860 0 2702 58.261 0.874 3.898 2 U -1.610e+04 0.00e+00 e 0 1859 1868 1860 0 2703 58.261 8.445 3.898 2 U -4.900e+03 0.00e+00 e 0 1859 1880 1860 0 2704 58.261 8.509 3.898 2 U -5.010e+03 0.00e+00 e 0 1859 1916 1860 0 2705 58.261 0.982 3.898 2 U -8.100e+03 0.00e+00 e 0 1859 1920 1860 0 2706 58.261 1.614 3.898 2 U -2.940e+03 0.00e+00 e 0 1859 1921 1860 0 2707 41.239 3.919 1.439 2 U 2.320e+03 0.00e+00 e 0 1861 1817 1862 0 2708 41.239 8.559 1.439 2 U 2.330e+03 0.00e+00 e 0 1861 1858 1862 0 2709 41.239 3.898 1.439 2 U 2.100e+03 0.00e+00 e 0 1861 1860 1862 0 2710 41.239 1.439 1.439 3 U 1.000e+06 0.00e+00 e 0 1861 1862 1862 0 2711 41.239 1.975 1.439 2 U 1.700e+04 0.00e+00 e 0 1861 1863 1862 0 2712 41.239 1.719 1.439 2 U 6.500e+03 0.00e+00 e 0 1861 1866 1862 0 2713 41.239 0.986 1.439 2 U 4.720e+03 0.00e+00 e 0 1861 1867 1862 0 2714 41.239 0.874 1.439 2 U 1.280e+04 0.00e+00 e 0 1861 1868 1862 0 2716 41.239 3.919 1.975 2 U 6.150e+02 0.00e+00 e 0 1861 1817 1863 0 2717 41.239 8.559 1.975 2 U 2.390e+03 0.00e+00 e 0 1861 1858 1863 0 2718 41.239 3.898 1.975 2 U 3.260e+03 0.00e+00 e 0 1861 1860 1863 0 2719 41.239 1.439 1.975 2 U 1.840e+04 0.00e+00 e 0 1861 1862 1863 0 2720 41.239 1.975 1.975 3 U 1.000e+06 0.00e+00 e 0 1861 1863 1863 0 2721 41.239 1.719 1.975 2 U 1.330e+03 0.00e+00 e 0 1861 1866 1863 0 2722 41.239 0.986 1.975 2 U 1.270e+04 0.00e+00 e 0 1861 1867 1863 0 2723 41.239 0.874 1.975 2 U 1.160e+04 0.00e+00 e 0 1861 1868 1863 0 2724 41.239 8.445 1.975 2 U 4.340e+03 0.00e+00 e 0 1861 1880 1863 0 2725 27.408 8.559 1.719 2 U 9.220e+03 0.00e+00 e 0 1865 1858 1866 0 2726 27.408 3.898 1.719 2 U 1.280e+04 0.00e+00 e 0 1865 1860 1866 0 2727 27.408 1.439 1.719 2 U 1.450e+04 0.00e+00 e 0 1865 1862 1866 0 2728 27.408 1.975 1.719 2 U 1.840e+04 0.00e+00 e 0 1865 1863 1866 0 2729 27.408 1.719 1.719 3 U 1.000e+06 0.00e+00 e 0 1865 1866 1866 0 2730 27.408 0.986 1.719 2 U 3.670e+04 0.00e+00 e 0 1865 1867 1866 0 2731 27.408 0.874 1.719 2 U 2.300e+04 0.00e+00 e 0 1865 1868 1866 0 2732 27.408 8.445 1.719 2 U 1.890e+03 0.00e+00 e 0 1865 1880 1866 0 2733 24.305 8.559 0.986 2 U 2.235e+04 0.00e+00 e 0 1869 1858 1867 0 2734 24.305 3.898 0.986 2 U 4.860e+04 0.00e+00 e 0 1869 1860 1867 0 2735 24.305 1.439 0.986 2 U 8.200e+04 0.00e+00 e 0 1869 1862 1867 0 2736 24.305 1.975 0.986 2 U 2.210e+04 0.00e+00 e 0 1869 1863 1867 0 2737 24.305 1.719 0.986 2 U 6.530e+04 0.00e+00 e 0 1869 1866 1867 0 2738 24.305 0.986 0.986 3 U 1.000e+06 0.00e+00 e 0 1869 1867 1867 0 2739 24.305 0.874 0.986 2 U 1.060e+05 0.00e+00 e 0 1869 1868 1867 0 2740 24.305 8.445 0.986 2 U 5.670e+03 0.00e+00 e 0 1869 1880 1867 0 2741 25.708 8.559 0.874 2 U 1.393e+04 0.00e+00 e 0 1873 1858 1868 0 2742 25.708 3.898 0.874 2 U 2.400e+04 0.00e+00 e 0 1873 1860 1868 0 2743 25.708 1.439 0.874 2 U 6.770e+04 0.00e+00 e 0 1873 1862 1868 0 2744 25.708 1.975 0.874 2 U 5.530e+04 0.00e+00 e 0 1873 1863 1868 0 2745 25.708 1.719 0.874 2 U 7.030e+04 0.00e+00 e 0 1873 1866 1868 0 2746 25.708 0.986 0.874 2 U 0.000e+00 0.00e+00 - 0 1873 1867 1868 0 2747 25.708 0.874 0.874 3 U 1.000e+06 0.00e+00 e 0 1873 1868 1868 0 2748 25.708 8.445 0.874 2 U 4.516e+03 0.00e+00 e 0 1873 1880 1868 0 2749 61.823 8.445 4.173 2 U -1.640e+04 0.00e+00 e 0 1881 1880 1882 0 2750 61.823 4.173 4.173 3 U 1.000e+06 0.00e+00 e 0 1881 1882 1882 0 2751 61.823 3.169 4.173 2 U -1.900e+04 0.00e+00 e 0 1881 1884 1882 0 2752 61.823 3.279 4.173 2 U -2.870e+04 0.00e+00 e 0 1881 1885 1882 0 2753 61.823 7.130 4.173 2 U -1.890e+04 0.00e+00 e 0 1881 1887 1882 0 2755 61.823 7.800 4.173 2 U -3.670e+03 0.00e+00 e 0 1881 1903 1882 0 2756 61.823 8.438 4.173 2 U -2.570e+03 0.00e+00 e 0 1881 1938 1882 0 2757 61.823 2.976 4.173 2 U -1.698e+03 0.00e+00 e 0 1881 1942 1882 0 2758 61.823 3.001 4.173 2 U -2.150e+03 0.00e+00 e 0 1881 1943 1882 0 2759 37.905 4.289 3.169 2 U 2.180e+03 0.00e+00 e 0 1883 1832 1884 0 2760 37.905 8.445 3.169 2 U 5.710e+03 0.00e+00 e 0 1883 1880 1884 0 2761 37.905 4.173 3.169 2 U 8.420e+03 0.00e+00 e 0 1883 1882 1884 0 2762 37.905 3.169 3.169 3 U 1.000e+06 0.00e+00 e 0 1883 1884 1884 0 2763 37.905 3.279 3.169 2 U 2.850e+04 0.00e+00 e 0 1883 1885 1884 0 2764 37.905 7.130 3.169 2 U 1.050e+04 0.00e+00 e 0 1883 1887 1884 0 2766 37.905 7.800 3.169 2 U 4.790e+03 0.00e+00 e 0 1883 1903 1884 0 2767 37.905 4.289 3.279 2 U 1.140e+03 0.00e+00 e 0 1883 1832 1885 0 2768 37.905 8.445 3.279 2 U 1.300e+04 0.00e+00 e 0 1883 1880 1885 0 2769 37.905 4.173 3.279 2 U 1.260e+04 0.00e+00 e 0 1883 1882 1885 0 2770 37.905 3.169 3.279 2 U 1.870e+04 0.00e+00 e 0 1883 1884 1885 0 2771 37.905 3.279 3.279 3 U 1.000e+06 0.00e+00 e 0 1883 1885 1885 0 2772 37.905 7.130 3.279 2 U 9.380e+03 0.00e+00 e 0 1883 1887 1885 0 2773 37.905 6.810 3.279 2 U 2.290e+03 0.00e+00 e 0 1883 1888 1885 0 2774 37.905 7.800 3.279 2 U 3.190e+03 0.00e+00 e 0 1883 1903 1885 0 2775 66.785 7.800 3.857 2 U -5.200e+03 0.00e+00 e 0 1904 1903 1905 0 2776 66.785 3.857 3.857 3 U 1.000e+06 0.00e+00 e 0 1904 1905 1905 0 2777 66.785 4.176 3.857 2 U -2.700e+03 0.00e+00 e 0 1904 1907 1905 0 2778 66.785 1.226 3.857 2 U -2.260e+04 0.00e+00 e 0 1904 1908 1905 0 2780 66.785 7.921 3.857 2 U -1.153e+03 0.00e+00 e 0 1904 1955 1905 0 2781 66.785 1.396 3.857 2 U -2.610e+04 0.00e+00 e 0 1904 1958 1905 0 2782 67.842 3.693 4.176 2 U -3.210e+03 0.00e+00 e 0 1906 1842 1907 0 2783 67.842 7.800 4.176 2 U -3.960e+03 0.00e+00 e 0 1906 1903 1907 0 2784 67.842 3.857 4.176 2 U -3.700e+02 0.00e+00 e 0 1906 1905 1907 0 2785 67.842 4.176 4.176 3 U 1.000e+06 0.00e+00 e 0 1906 1907 1907 0 2786 67.842 1.226 4.176 2 U -1.160e+04 0.00e+00 e 0 1906 1908 1907 0 2787 67.842 8.509 4.176 2 U -9.100e+01 0.00e+00 e 0 1906 1916 1907 0 2788 23.012 7.800 1.226 2 U 0.000e+00 0.00e+00 - 0 1910 1903 1908 0 2789 23.012 3.857 1.226 2 U 0.000e+00 0.00e+00 - 0 1910 1905 1908 0 2790 23.012 4.176 1.226 2 U 0.000e+00 0.00e+00 - 0 1910 1907 1908 0 2791 23.012 1.226 1.226 3 U 1.000e+06 0.00e+00 e 0 1910 1908 1908 0 2792 23.012 8.509 1.226 2 U 0.000e+00 0.00e+00 - 0 1910 1916 1908 0 2793 58.532 8.509 3.900 2 U -1.210e+04 0.00e+00 e 0 1917 1916 1918 0 2794 58.532 3.900 3.900 3 U 1.000e+06 0.00e+00 e 0 1917 1918 1918 0 2795 58.532 0.982 3.900 2 U -2.540e+04 0.00e+00 e 0 1917 1920 1918 0 2796 58.532 1.614 3.900 2 U -6.780e+03 0.00e+00 e 0 1917 1921 1918 0 2797 58.532 1.628 3.900 2 U -2.360e+04 0.00e+00 e 0 1917 1924 1918 0 2798 58.532 0.018 3.900 2 U -2.539e+04 0.00e+00 e 0 1917 1925 1918 0 2799 58.532 0.370 3.900 2 U -2.180e+03 0.00e+00 e 0 1917 1926 1918 0 2800 58.532 8.438 3.900 2 U -4.550e+03 0.00e+00 e 0 1917 1938 1918 0 2801 58.532 8.303 3.900 2 U -1.330e+03 0.00e+00 e 0 1917 1965 1918 0 2802 58.532 2.519 3.900 2 U 0.000e+00 0.00e+00 - 0 1917 1969 1918 0 2804 41.261 8.509 0.982 2 U 2.600e+03 0.00e+00 e 0 1919 1916 1920 0 2806 41.261 0.982 0.982 3 U 1.000e+06 0.00e+00 e 0 1919 1920 1920 0 2807 41.261 1.614 0.982 2 U 3.210e+03 0.00e+00 e 0 1919 1921 1920 0 2808 41.261 1.628 0.982 2 U 2.860e+03 0.00e+00 e 0 1919 1924 1920 0 2809 41.261 0.018 0.982 2 U 3.860e+03 0.00e+00 e 0 1919 1925 1920 0 2810 41.261 0.370 0.982 2 U 2.060e+03 0.00e+00 e 0 1919 1926 1920 0 2811 41.261 8.438 0.982 2 U 3.400e+03 0.00e+00 e 0 1919 1938 1920 0 2815 41.261 0.982 1.614 2 U 5.570e+03 0.00e+00 e 0 1919 1920 1921 0 2816 41.261 1.614 1.614 3 U 1.000e+06 0.00e+00 e 0 1919 1921 1921 0 2820 41.261 8.438 1.614 2 U 1.010e+03 0.00e+00 e 0 1919 1938 1921 0 2821 26.545 8.509 1.628 2 U 6.630e+03 0.00e+00 e 0 1923 1916 1924 0 2822 26.545 3.900 1.628 2 U 1.630e+04 0.00e+00 e 0 1923 1918 1924 0 2823 26.545 0.982 1.628 2 U 0.000e+00 0.00e+00 - 0 1923 1920 1924 0 2824 26.545 1.614 1.628 2 U 2.720e+04 0.00e+00 e 0 1923 1921 1924 0 2825 26.545 1.628 1.628 3 U 1.000e+06 0.00e+00 e 0 1923 1924 1924 0 2826 26.545 0.018 1.628 2 U 7.280e+03 0.00e+00 e 0 1923 1925 1924 0 2827 26.545 0.370 1.628 2 U 3.740e+04 0.00e+00 e 0 1923 1926 1924 0 2829 22.410 8.509 0.018 2 U 7.330e+03 0.00e+00 e 0 1927 1916 1925 0 2830 22.410 3.900 0.018 2 U 4.540e+04 0.00e+00 e 0 1927 1918 1925 0 2831 22.410 0.982 0.018 2 U 1.950e+04 0.00e+00 e 0 1927 1920 1925 0 2832 22.410 1.614 0.018 2 U 9.940e+03 0.00e+00 e 0 1927 1921 1925 0 2833 22.410 1.628 0.018 2 U 7.680e+04 0.00e+00 e 0 1927 1924 1925 0 2834 22.410 0.018 0.018 3 U 1.000e+06 0.00e+00 e 0 1927 1925 1925 0 2835 22.410 0.370 0.018 2 U 7.480e+04 0.00e+00 e 0 1927 1926 1925 0 2836 22.410 8.438 0.018 2 U 1.400e+03 0.00e+00 e 0 1927 1938 1925 0 2837 26.618 8.509 0.370 2 U 1.520e+04 0.00e+00 e 0 1931 1916 1926 0 2838 26.618 3.900 0.370 2 U 1.680e+04 0.00e+00 e 0 1931 1918 1926 0 2839 26.618 0.982 0.370 2 U 2.960e+04 0.00e+00 e 0 1931 1920 1926 0 2840 26.618 1.614 0.370 2 U 4.360e+04 0.00e+00 e 0 1931 1921 1926 0 2841 26.618 1.628 0.370 2 U 1.090e+05 0.00e+00 e 0 1931 1924 1926 0 2842 26.618 0.018 0.370 2 U 5.750e+04 0.00e+00 e 0 1931 1925 1926 0 2843 26.618 0.370 0.370 3 U 1.000e+06 0.00e+00 e 0 1931 1926 1926 0 2844 26.618 8.438 0.370 2 U 2.470e+03 0.00e+00 e 0 1931 1938 1926 0 2845 60.888 8.438 4.002 2 U -1.100e+04 0.00e+00 e 0 1939 1938 1940 0 2846 60.888 4.002 4.002 3 U 1.000e+06 0.00e+00 e 0 1939 1940 1940 0 2847 60.888 2.976 4.002 2 U -1.190e+04 0.00e+00 e 0 1939 1942 1940 0 2848 60.888 3.001 4.002 2 U -2.480e+04 0.00e+00 e 0 1939 1943 1940 0 2849 60.888 6.946 4.002 2 U -2.410e+03 0.00e+00 e 0 1939 1951 1940 0 2851 60.888 7.921 4.002 2 U -1.070e+03 0.00e+00 e 0 1939 1955 1940 0 2852 60.888 8.225 4.002 2 U -5.520e+03 0.00e+00 e 0 1939 1983 1940 0 2853 60.888 1.805 4.002 2 U -1.250e+04 0.00e+00 e 0 1939 1987 1940 0 2854 60.888 2.049 4.002 2 U -1.220e+04 0.00e+00 e 0 1939 1988 1940 0 2856 29.679 8.438 2.976 2 U 1.290e+03 0.00e+00 e 0 1941 1938 1942 0 2858 29.679 2.976 2.976 3 U 1.000e+06 0.00e+00 e 0 1941 1942 1942 0 2859 29.679 3.001 2.976 2 U -3.140e+03 0.00e+00 e 0 1941 1943 1942 0 2860 29.679 6.946 2.976 2 U 7.910e+02 0.00e+00 e 0 1941 1951 1942 0 2862 29.679 7.921 2.976 2 U 1.210e+03 0.00e+00 e 0 1941 1955 1942 0 2863 29.679 4.173 3.001 2 U 2.200e+03 0.00e+00 e 0 1941 1882 1943 0 2864 29.679 8.438 3.001 2 U 1.190e+03 0.00e+00 e 0 1941 1938 1943 0 2865 29.679 4.002 3.001 2 U 2.750e+03 0.00e+00 e 0 1941 1940 1943 0 2866 29.679 2.976 3.001 2 U -1.530e+03 0.00e+00 e 0 1941 1942 1943 0 2867 29.679 3.001 3.001 3 U 1.000e+06 0.00e+00 e 0 1941 1943 1943 0 2868 29.679 6.946 3.001 2 U 1.950e+03 0.00e+00 e 0 1941 1951 1943 0 2871 54.954 7.921 4.129 2 U -1.020e+04 0.00e+00 e 0 1956 1955 1957 0 2872 54.954 4.129 4.129 3 U 1.000e+06 0.00e+00 e 0 1956 1957 1957 0 2873 54.954 1.396 4.129 2 U -2.480e+04 0.00e+00 e 0 1956 1958 1957 0 2874 54.954 8.303 4.129 2 U -1.860e+03 0.00e+00 e 0 1956 1965 1957 0 2875 54.954 8.175 4.129 2 U -1.810e+03 0.00e+00 e 0 1956 2008 1957 0 2876 54.954 2.142 4.129 2 U -2.720e+03 0.00e+00 e 0 1956 2012 1957 0 2877 54.954 2.626 4.129 2 U -6.860e+03 0.00e+00 e 0 1956 2013 1957 0 2878 17.605 3.857 1.396 2 U -5.460e+04 0.00e+00 e 0 1959 1905 1958 0 2879 17.605 7.921 1.396 2 U -7.920e+04 0.00e+00 e 0 1959 1955 1958 0 2880 17.605 4.129 1.396 2 U -9.290e+04 0.00e+00 e 0 1959 1957 1958 0 2881 17.605 1.396 1.396 3 U 1.000e+06 0.00e+00 e 0 1959 1958 1958 0 2882 17.605 8.303 1.396 2 U -3.680e+04 0.00e+00 e 0 1959 1965 1958 0 2883 67.169 8.303 3.542 2 U -9.030e+03 0.00e+00 e 0 1966 1965 1967 0 2884 67.169 3.542 3.542 3 U 1.000e+06 0.00e+00 e 0 1966 1967 1967 0 2885 67.169 2.519 3.542 2 U -7.450e+03 0.00e+00 e 0 1966 1969 1967 0 2886 67.169 0.979 3.542 2 U -3.800e+04 0.00e+00 e 0 1966 1970 1967 0 2887 67.169 1.201 3.542 2 U -1.360e+04 0.00e+00 e 0 1966 1971 1967 0 2888 67.169 8.225 3.542 2 U -2.930e+03 0.00e+00 e 0 1966 1983 1967 0 2889 67.169 7.986 3.542 2 U -6.270e+03 0.00e+00 e 0 1966 2019 1967 0 2890 67.169 2.117 3.542 2 U -6.060e+02 0.00e+00 e 0 1966 2023 1967 0 2891 67.169 2.171 3.542 2 U -7.310e+02 0.00e+00 e 0 1966 2024 1967 0 2892 31.012 3.900 2.519 2 U 4.000e+03 0.00e+00 e 0 1968 1918 1969 0 2893 31.012 8.303 2.519 2 U 1.910e+04 0.00e+00 e 0 1968 1965 1969 0 2894 31.012 3.542 2.519 2 U 2.400e+03 0.00e+00 e 0 1968 1967 1969 0 2895 31.012 2.519 2.519 3 U 1.000e+06 0.00e+00 e 0 1968 1969 1969 0 2896 31.012 0.979 2.519 2 U 1.760e+04 0.00e+00 e 0 1968 1970 1969 0 2897 31.012 1.201 2.519 2 U 3.020e+04 0.00e+00 e 0 1968 1971 1969 0 2898 31.012 8.225 2.519 2 U 3.160e+03 0.00e+00 e 0 1968 1983 1969 0 2899 20.708 8.303 0.979 2 U -1.555e+04 0.00e+00 e 0 1972 1965 1970 0 2900 20.708 3.542 0.979 2 U -3.720e+04 0.00e+00 e 0 1972 1967 1970 0 2901 20.708 2.519 0.979 2 U -4.400e+04 0.00e+00 e 0 1972 1969 1970 0 2902 20.708 0.979 0.979 3 U 1.000e+06 0.00e+00 e 0 1972 1970 1970 0 2903 20.708 1.201 0.979 2 U -1.640e+05 0.00e+00 e 0 1972 1971 1970 0 2904 20.708 8.225 0.979 2 U -6.490e+03 0.00e+00 e 0 1972 1983 1970 0 2905 24.742 8.303 1.201 2 U 4.990e+04 0.00e+00 e 0 1976 1965 1971 0 2906 24.742 3.542 1.201 2 U 5.510e+04 0.00e+00 e 0 1976 1967 1971 0 2907 24.742 2.519 1.201 2 U 5.340e+04 0.00e+00 e 0 1976 1969 1971 0 2908 24.742 0.979 1.201 2 U 7.650e+04 0.00e+00 e 0 1976 1970 1971 0 2909 24.742 1.201 1.201 3 U 1.000e+06 0.00e+00 e 0 1976 1971 1971 0 2910 24.742 8.225 1.201 2 U 3.450e+03 0.00e+00 e 0 1976 1983 1971 0 2911 60.763 8.225 3.812 2 U -1.280e+04 0.00e+00 e 0 1984 1983 1985 0 2912 60.763 3.812 3.812 3 U 1.000e+06 0.00e+00 e 0 1984 1985 1985 0 2913 60.763 1.805 3.812 2 U -1.840e+04 0.00e+00 e 0 1984 1987 1985 0 2914 60.763 2.049 3.812 2 U -1.550e+04 0.00e+00 e 0 1984 1988 1985 0 2915 60.763 1.334 3.812 2 U -5.820e+03 0.00e+00 e 0 1984 1991 1985 0 2916 60.763 1.497 3.812 2 U -6.720e+03 0.00e+00 e 0 1984 1992 1985 0 2917 60.763 1.489 3.812 2 U -8.180e+03 0.00e+00 e 0 1984 1997 1985 0 2919 60.763 8.370 3.812 2 U -1.960e+03 0.00e+00 e 0 1984 2034 1985 0 2920 60.763 1.937 3.812 2 U -7.884e+03 0.00e+00 e 0 1984 2038 1985 0 2921 31.509 4.002 1.805 2 U 4.300e+03 0.00e+00 e 0 1986 1940 1987 0 2922 31.509 8.225 1.805 2 U 9.480e+03 0.00e+00 e 0 1986 1983 1987 0 2923 31.509 3.812 1.805 2 U 8.000e+03 0.00e+00 e 0 1986 1985 1987 0 2924 31.509 1.805 1.805 3 U 1.000e+06 0.00e+00 e 0 1986 1987 1987 0 2925 31.509 2.049 1.805 2 U 2.920e+04 0.00e+00 e 0 1986 1988 1987 0 2926 31.509 1.334 1.805 2 U 4.780e+03 0.00e+00 e 0 1986 1991 1987 0 2927 31.509 1.497 1.805 2 U 0.000e+00 0.00e+00 - 0 1986 1992 1987 0 2928 31.509 1.489 1.805 2 U 0.000e+00 0.00e+00 - 0 1986 1997 1987 0 2929 31.509 8.175 1.805 2 U 6.450e+03 0.00e+00 e 0 1986 2008 1987 0 2930 31.509 4.002 2.049 2 U 5.940e+03 0.00e+00 e 0 1986 1940 1988 0 2931 31.509 8.225 2.049 2 U 7.940e+03 0.00e+00 e 0 1986 1983 1988 0 2932 31.509 3.812 2.049 2 U 7.580e+03 0.00e+00 e 0 1986 1985 1988 0 2933 31.509 1.805 2.049 2 U 9.610e+03 0.00e+00 e 0 1986 1987 1988 0 2934 31.509 2.049 2.049 3 U 1.000e+06 0.00e+00 e 0 1986 1988 1988 0 2935 31.509 1.334 2.049 2 U 1.280e+04 0.00e+00 e 0 1986 1991 1988 0 2936 31.509 1.497 2.049 2 U 0.000e+00 0.00e+00 - 0 1986 1992 1988 0 2937 31.509 1.489 2.049 2 U 0.000e+00 0.00e+00 - 0 1986 1997 1988 0 2938 31.509 8.175 2.049 2 U 2.450e+03 0.00e+00 e 0 1986 2008 1988 0 2939 25.209 8.225 1.334 2 U 2.030e+03 0.00e+00 e 0 1990 1983 1991 0 2940 25.209 3.812 1.334 2 U 6.350e+03 0.00e+00 e 0 1990 1985 1991 0 2941 25.209 1.805 1.334 2 U 8.530e+03 0.00e+00 e 0 1990 1987 1991 0 2942 25.209 2.049 1.334 2 U 1.060e+04 0.00e+00 e 0 1990 1988 1991 0 2943 25.209 1.334 1.334 3 U 1.000e+06 0.00e+00 e 0 1990 1991 1991 0 2944 25.209 1.497 1.334 2 U 0.000e+00 0.00e+00 - 0 1990 1992 1991 0 2945 25.209 1.489 1.334 2 U 0.000e+00 0.00e+00 - 0 1990 1997 1991 0 2946 25.209 8.175 1.334 2 U 1.370e+03 0.00e+00 e 0 1990 2008 1991 0 2947 25.209 8.225 1.497 2 U 4.050e+03 0.00e+00 e 0 1990 1983 1992 0 2948 25.209 3.812 1.497 2 U 3.540e+03 0.00e+00 e 0 1990 1985 1992 0 2949 25.209 1.805 1.497 2 U 1.290e+04 0.00e+00 e 0 1990 1987 1992 0 2950 25.209 2.049 1.497 2 U 1.150e+04 0.00e+00 e 0 1990 1988 1992 0 2951 25.209 1.334 1.497 2 U 7.350e+04 0.00e+00 e 0 1990 1991 1992 0 2952 25.209 1.497 1.497 3 U 1.000e+06 0.00e+00 e 0 1990 1992 1992 0 2953 25.209 1.489 1.497 2 U 0.000e+00 0.00e+00 - 0 1990 1997 1992 0 2954 25.209 8.175 1.497 2 U 2.320e+03 0.00e+00 e 0 1990 2008 1992 0 2955 29.520 8.225 1.489 2 U 1.540e+03 0.00e+00 e 0 1994 1983 1997 0 2957 29.520 1.805 1.489 2 U 1.260e+04 0.00e+00 e 0 1994 1987 1997 0 2958 29.520 2.049 1.489 2 U 3.690e+04 0.00e+00 e 0 1994 1988 1997 0 2959 29.520 1.334 1.489 2 U 1.120e+04 0.00e+00 e 0 1994 1991 1997 0 2960 29.520 1.497 1.489 2 U 0.000e+00 0.00e+00 - 0 1994 1992 1997 0 2961 29.520 1.489 1.489 3 U 1.000e+06 0.00e+00 e 0 1994 1997 1997 0 2963 56.808 8.175 4.299 2 U -3.460e+04 0.00e+00 e 0 2009 2008 2010 0 2964 56.808 4.299 4.299 3 U 1.000e+06 0.00e+00 e 0 2009 2010 2010 0 2965 56.808 2.142 4.299 2 U -4.210e+04 0.00e+00 e 0 2009 2012 2010 0 2966 56.808 2.626 4.299 2 U -2.400e+04 0.00e+00 e 0 2009 2013 2010 0 2967 56.808 7.986 4.299 2 U -5.640e+03 0.00e+00 e 0 2009 2019 2010 0 2968 56.808 7.719 4.299 2 U -8.467e+03 0.00e+00 e 0 2009 2055 2010 0 2969 56.808 1.505 4.299 2 U -4.190e+04 0.00e+00 e 0 2009 2058 2010 0 2970 39.610 4.129 2.142 2 U 3.050e+03 0.00e+00 e 0 2011 1957 2012 0 2971 39.610 8.175 2.142 2 U 4.840e+03 0.00e+00 e 0 2011 2008 2012 0 2972 39.610 4.299 2.142 2 U 1.060e+04 0.00e+00 e 0 2011 2010 2012 0 2973 39.610 2.142 2.142 3 U 1.000e+06 0.00e+00 e 0 2011 2012 2012 0 2974 39.610 2.626 2.142 2 U 4.620e+04 0.00e+00 e 0 2011 2013 2012 0 2975 39.610 7.986 2.142 2 U 1.860e+03 0.00e+00 e 0 2011 2019 2012 0 2976 39.610 4.129 2.626 2 U 7.960e+03 0.00e+00 e 0 2011 1957 2013 0 2977 39.610 8.175 2.626 2 U 1.620e+04 0.00e+00 e 0 2011 2008 2013 0 2978 39.610 4.299 2.626 2 U 9.370e+03 0.00e+00 e 0 2011 2010 2013 0 2979 39.610 2.142 2.626 2 U 3.450e+04 0.00e+00 e 0 2011 2012 2013 0 2980 39.610 2.626 2.626 3 U 1.000e+06 0.00e+00 e 0 2011 2013 2013 0 2981 39.610 7.986 2.626 2 U 1.760e+03 0.00e+00 e 0 2011 2019 2013 0 2982 58.432 7.986 4.056 2 U -2.420e+03 0.00e+00 e 0 2020 2019 2021 0 2983 58.432 4.056 4.056 3 U 1.000e+06 0.00e+00 e 0 2020 2021 2021 0 2984 58.432 2.117 4.056 2 U -6.090e+03 0.00e+00 e 0 2020 2023 2021 0 2985 58.432 2.171 4.056 2 U -5.760e+03 0.00e+00 e 0 2020 2024 2021 0 2986 58.432 2.254 4.056 2 U -4.490e+03 0.00e+00 e 0 2020 2027 2021 0 2987 58.432 2.346 4.056 2 U -3.130e+03 0.00e+00 e 0 2020 2028 2021 0 2990 58.432 2.029 4.056 2 U -1.520e+04 0.00e+00 e 0 2020 2069 2021 0 2991 58.432 1.884 4.056 2 U -7.640e+03 0.00e+00 e 0 2020 2070 2021 0 2992 29.012 3.542 2.117 2 U 1.144e+03 0.00e+00 e 0 2022 1967 2023 0 2993 29.012 7.986 2.117 2 U 2.530e+03 0.00e+00 e 0 2022 2019 2023 0 2994 29.012 4.056 2.117 2 U 0.000e+00 0.00e+00 - 0 2022 2021 2023 0 2995 29.012 2.117 2.117 3 U 1.000e+06 0.00e+00 e 0 2022 2023 2023 0 2996 29.012 2.171 2.117 2 U 0.000e+00 0.00e+00 - 0 2022 2024 2023 0 2997 29.012 2.254 2.117 2 U 0.000e+00 0.00e+00 - 0 2022 2027 2023 0 2998 29.012 2.346 2.117 2 U 0.000e+00 0.00e+00 - 0 2022 2028 2023 0 3001 29.012 7.986 2.171 2 U 4.140e+03 0.00e+00 e 0 2022 2019 2024 0 3002 29.012 4.056 2.171 2 U 2.420e+04 0.00e+00 e 0 2022 2021 2024 0 3003 29.012 2.117 2.171 2 U 0.000e+00 0.00e+00 - 0 2022 2023 2024 0 3004 29.012 2.171 2.171 3 U 1.000e+06 0.00e+00 e 0 2022 2024 2024 0 3005 29.012 2.254 2.171 2 U 0.000e+00 0.00e+00 - 0 2022 2027 2024 0 3006 29.012 2.346 2.171 2 U 0.000e+00 0.00e+00 - 0 2022 2028 2024 0 3008 35.848 7.986 2.254 2 U 2.390e+03 0.00e+00 e 0 2026 2019 2027 0 3009 35.848 4.056 2.254 2 U 5.560e+03 0.00e+00 e 0 2026 2021 2027 0 3010 35.848 2.117 2.254 2 U 0.000e+00 0.00e+00 - 0 2026 2023 2027 0 3011 35.848 2.171 2.254 2 U 0.000e+00 0.00e+00 - 0 2026 2024 2027 0 3012 35.848 2.254 2.254 3 U 1.000e+06 0.00e+00 e 0 2026 2027 2027 0 3013 35.848 2.346 2.254 2 U 0.000e+00 0.00e+00 - 0 2026 2028 2027 0 3015 35.848 7.986 2.346 2 U 8.180e+02 0.00e+00 e 0 2026 2019 2028 0 3016 35.848 4.056 2.346 2 U 2.080e+04 0.00e+00 e 0 2026 2021 2028 0 3017 35.848 2.117 2.346 2 U 0.000e+00 0.00e+00 - 0 2026 2023 2028 0 3018 35.848 2.171 2.346 2 U 0.000e+00 0.00e+00 - 0 2026 2024 2028 0 3019 35.848 2.254 2.346 2 U 0.000e+00 0.00e+00 - 0 2026 2027 2028 0 3020 35.848 2.346 2.346 3 U 1.000e+06 0.00e+00 e 0 2026 2028 2028 0 3022 64.788 8.370 3.609 2 U -3.760e+03 0.00e+00 e 0 2035 2034 2036 0 3023 64.788 3.609 3.609 3 U 1.000e+06 0.00e+00 e 0 2035 2036 2036 0 3024 64.788 1.937 3.609 2 U -1.410e+03 0.00e+00 e 0 2035 2038 2036 0 3025 64.788 0.953 3.609 2 U -1.290e+04 0.00e+00 e 0 2035 2039 2036 0 3026 64.788 0.963 3.609 2 U -1.010e+04 0.00e+00 e 0 2035 2045 2036 0 3027 64.788 1.930 3.609 2 U -6.630e+03 0.00e+00 e 0 2035 2046 2036 0 3028 64.788 0.739 3.609 2 U -7.150e+03 0.00e+00 e 0 2035 2048 2036 0 3030 64.788 8.893 3.609 2 U -1.050e+03 0.00e+00 e 0 2035 2091 2036 0 3031 64.788 2.109 3.609 2 U 1.110e+02 0.00e+00 e 0 2035 2097 2036 0 3032 38.620 3.812 1.937 2 U 5.360e+03 0.00e+00 e 0 2037 1985 2038 0 3033 38.620 8.370 1.937 2 U 1.240e+04 0.00e+00 e 0 2037 2034 2038 0 3034 38.620 3.609 1.937 2 U 3.370e+03 0.00e+00 e 0 2037 2036 2038 0 3035 38.620 1.937 1.937 3 U 1.000e+06 0.00e+00 e 0 2037 2038 2038 0 3036 38.620 0.953 1.937 2 U 2.340e+04 0.00e+00 e 0 2037 2039 2038 0 3037 38.620 0.963 1.937 2 U 6.060e+03 0.00e+00 e 0 2037 2045 2038 0 3038 38.620 1.930 1.937 2 U 0.000e+00 0.00e+00 - 0 2037 2046 2038 0 3039 38.620 0.739 1.937 2 U 1.730e+04 0.00e+00 e 0 2037 2048 2038 0 3040 38.620 7.719 1.937 2 U 7.470e+03 0.00e+00 e 0 2037 2055 2038 0 3041 17.550 8.370 0.953 2 U -1.670e+04 0.00e+00 e 0 2040 2034 2039 0 3042 17.550 3.609 0.953 2 U -4.570e+04 0.00e+00 e 0 2040 2036 2039 0 3043 17.550 1.937 0.953 2 U -6.280e+04 0.00e+00 e 0 2040 2038 2039 0 3044 17.550 0.953 0.953 3 U 1.000e+06 0.00e+00 e 0 2040 2039 2039 0 3045 17.550 0.963 0.953 2 U 1.000e+04 0.00e+00 e 0 2040 2045 2039 0 3046 17.550 1.930 0.953 2 U -2.230e+04 0.00e+00 e 0 2040 2046 2039 0 3047 17.550 0.739 0.953 2 U -9.770e+04 0.00e+00 e 0 2040 2048 2039 0 3048 17.550 7.719 0.953 2 U -1.130e+04 0.00e+00 e 0 2040 2055 2039 0 3050 29.304 3.609 0.963 2 U 2.340e+03 0.00e+00 e 0 2044 2036 2045 0 3051 29.304 1.937 0.963 2 U 0.000e+00 0.00e+00 - 0 2044 2038 2045 0 3052 29.304 0.953 0.963 2 U 0.000e+00 0.00e+00 - 0 2044 2039 2045 0 3053 29.304 0.963 0.963 3 U 1.000e+06 0.00e+00 e 0 2044 2045 2045 0 3054 29.304 1.930 0.963 2 U 4.410e+03 0.00e+00 e 0 2044 2046 2045 0 3055 29.304 0.739 0.963 2 U 1.250e+04 0.00e+00 e 0 2044 2048 2045 0 3057 29.304 8.370 1.930 2 U 6.610e+03 0.00e+00 e 0 2044 2034 2046 0 3059 29.304 1.937 1.930 2 U 0.000e+00 0.00e+00 - 0 2044 2038 2046 0 3060 29.304 0.953 1.930 2 U 4.760e+03 0.00e+00 e 0 2044 2039 2046 0 3061 29.304 0.963 1.930 2 U 4.010e+03 0.00e+00 e 0 2044 2045 2046 0 3062 29.304 1.930 1.930 3 U 1.000e+06 0.00e+00 e 0 2044 2046 2046 0 3063 29.304 0.739 1.930 2 U 5.120e+03 0.00e+00 e 0 2044 2048 2046 0 3064 29.304 7.719 1.930 2 U 2.730e+03 0.00e+00 e 0 2044 2055 2046 0 3065 14.358 8.370 0.739 2 U -1.120e+04 0.00e+00 e 0 2049 2034 2048 0 3066 14.358 3.609 0.739 2 U -1.200e+04 0.00e+00 e 0 2049 2036 2048 0 3067 14.358 1.937 0.739 2 U -4.570e+04 0.00e+00 e 0 2049 2038 2048 0 3068 14.358 0.953 0.739 2 U -7.270e+04 0.00e+00 e 0 2049 2039 2048 0 3069 14.358 0.963 0.739 2 U -8.130e+04 0.00e+00 e 0 2049 2045 2048 0 3070 14.358 1.930 0.739 2 U -3.800e+04 0.00e+00 e 0 2049 2046 2048 0 3071 14.358 0.739 0.739 3 U 1.000e+06 0.00e+00 e 0 2049 2048 2048 0 3073 52.894 7.719 4.249 2 U -2.570e+04 0.00e+00 e 0 2056 2055 2057 0 3074 52.894 4.249 4.249 3 U 1.000e+06 0.00e+00 e 0 2056 2057 2057 0 3075 52.894 1.505 4.249 2 U -1.090e+05 0.00e+00 e 0 2056 2058 2057 0 3076 52.894 7.449 4.249 2 U -3.660e+03 0.00e+00 e 0 2056 2065 2057 0 3077 18.663 4.299 1.505 2 U -2.590e+04 0.00e+00 e 0 2059 2010 2058 0 3078 18.663 7.719 1.505 2 U -3.390e+04 0.00e+00 e 0 2059 2055 2058 0 3079 18.663 4.249 1.505 2 U -6.240e+04 0.00e+00 e 0 2059 2057 2058 0 3080 18.663 1.505 1.505 3 U 1.000e+06 0.00e+00 e 0 2059 2058 2058 0 3081 18.663 7.449 1.505 2 U -8.330e+03 0.00e+00 e 0 2059 2065 2058 0 3082 57.569 7.449 4.105 2 U -7.600e+03 0.00e+00 e 0 2066 2065 2067 0 3083 57.569 4.105 4.105 3 U 1.000e+06 0.00e+00 e 0 2066 2067 2067 0 3084 57.569 2.029 4.105 2 U -2.530e+04 0.00e+00 e 0 2066 2069 2067 0 3085 57.569 1.884 4.105 2 U -7.820e+03 0.00e+00 e 0 2066 2070 2067 0 3086 57.569 1.733 4.105 2 U -5.140e+03 0.00e+00 e 0 2066 2073 2067 0 3087 57.569 1.821 4.105 2 U -1.420e+03 0.00e+00 e 0 2066 2074 2067 0 3091 30.998 7.449 2.029 2 U 4.420e+03 0.00e+00 e 0 2068 2065 2069 0 3092 30.998 4.105 2.029 2 U 9.760e+03 0.00e+00 e 0 2068 2067 2069 0 3093 30.998 2.029 2.029 3 U 1.000e+06 0.00e+00 e 0 2068 2069 2069 0 3094 30.998 1.884 2.029 2 U 0.000e+00 0.00e+00 - 0 2068 2070 2069 0 3095 30.998 1.733 2.029 2 U 0.000e+00 0.00e+00 - 0 2068 2073 2069 0 3096 30.998 1.821 2.029 2 U 0.000e+00 0.00e+00 - 0 2068 2074 2069 0 3097 30.998 3.261 2.029 2 U 4.260e+03 0.00e+00 e 0 2068 2079 2069 0 3100 30.998 7.449 1.884 2 U 3.720e+03 0.00e+00 e 0 2068 2065 2070 0 3101 30.998 4.105 1.884 2 U 7.170e+03 0.00e+00 e 0 2068 2067 2070 0 3102 30.998 2.029 1.884 2 U 0.000e+00 0.00e+00 - 0 2068 2069 2070 0 3103 30.998 1.884 1.884 3 U 1.000e+06 0.00e+00 e 0 2068 2070 2070 0 3104 30.998 1.733 1.884 2 U 1.340e+04 0.00e+00 e 0 2068 2073 2070 0 3105 30.998 1.821 1.884 2 U 0.000e+00 0.00e+00 - 0 2068 2074 2070 0 3106 30.998 3.261 1.884 2 U 6.700e+03 0.00e+00 e 0 2068 2079 2070 0 3109 27.310 4.105 1.733 2 U 7.350e+03 0.00e+00 e 0 2072 2067 2073 0 3110 27.310 2.029 1.733 2 U 4.210e+04 0.00e+00 e 0 2072 2069 2073 0 3111 27.310 1.884 1.733 2 U 0.000e+00 0.00e+00 - 0 2072 2070 2073 0 3112 27.310 1.733 1.733 3 U 1.000e+06 0.00e+00 e 0 2072 2073 2073 0 3113 27.310 1.821 1.733 2 U 0.000e+00 0.00e+00 - 0 2072 2074 2073 0 3114 27.310 3.261 1.733 2 U 1.770e+04 0.00e+00 e 0 2072 2079 2073 0 3117 27.310 4.105 1.821 2 U 1.020e+03 0.00e+00 e 0 2072 2067 2074 0 3118 27.310 2.029 1.821 2 U 1.190e+04 0.00e+00 e 0 2072 2069 2074 0 3119 27.310 1.884 1.821 2 U 0.000e+00 0.00e+00 - 0 2072 2070 2074 0 3120 27.310 1.733 1.821 2 U 1.190e+04 0.00e+00 e 0 2072 2073 2074 0 3121 27.310 1.821 1.821 3 U 1.000e+06 0.00e+00 e 0 2072 2074 2074 0 3122 27.310 3.261 1.821 2 U 1.460e+04 0.00e+00 e 0 2072 2079 2074 0 3125 43.715 4.105 3.261 2 U 2.180e+03 0.00e+00 e 0 2076 2067 2079 0 3126 43.715 2.029 3.261 2 U 1.170e+04 0.00e+00 e 0 2076 2069 2079 0 3127 43.715 1.884 3.261 2 U 0.000e+00 0.00e+00 - 0 2076 2070 2079 0 3128 43.715 1.733 3.261 2 U 6.420e+03 0.00e+00 e 0 2076 2073 2079 0 3129 43.715 1.821 3.261 2 U 0.000e+00 0.00e+00 - 0 2076 2074 2079 0 3130 43.715 3.261 3.261 3 U 1.000e+06 0.00e+00 e 0 2076 2079 2079 0 3132 56.690 8.893 4.286 2 U 0.000e+00 0.00e+00 - 0 2092 2091 2093 0 3133 56.690 4.286 4.286 3 U 1.000e+06 0.00e+00 e 0 2092 2093 2093 0 3134 56.690 2.109 4.286 2 U -4.602e+04 0.00e+00 e 0 2092 2097 2093 0 3137 30.230 8.893 2.109 2 U 0.000e+00 0.00e+00 - 0 2094 2091 2097 0 3139 30.230 2.109 2.109 3 U 1.000e+06 0.00e+00 e 0 2094 2097 2097 0 3140 30.230 2.322 2.109 2 U 0.000e+00 0.00e+00 - 0 2094 2101 2097 0 3141 36.010 8.893 2.322 2 U 0.000e+00 0.00e+00 - 0 2098 2091 2101 0 3142 36.010 4.286 2.322 2 U 0.000e+00 0.00e+00 - 0 2098 2093 2101 0 3143 36.010 2.109 2.322 2 U 0.000e+00 0.00e+00 - 0 2098 2097 2101 0 3144 36.010 2.322 2.322 3 U 1.000e+06 0.00e+00 e 0 2098 2101 2101 0 3502 132.595 2.109 6.421 2 U 1.760e+02 0.00e+00 e 0 393 386 389 0 3503 132.595 2.386 6.421 2 U -3.440e+02 0.00e+00 e 0 393 387 389 0 3504 132.595 6.421 6.421 3 U 1.000e+06 0.00e+00 e 0 393 389 389 0 3505 132.595 6.242 6.421 2 U -2.190e+04 0.00e+00 e 0 393 390 389 0 3506 115.621 6.421 6.242 2 U -4.400e+04 0.00e+00 e 0 395 389 390 0 3507 115.621 6.242 6.242 3 U 1.000e+06 0.00e+00 e 0 395 390 390 0 3512 132.415 6.393 6.393 3 U 1.000e+06 0.00e+00 e 0 1544 1540 1540 0 3513 132.415 6.130 6.393 2 U -2.090e+03 0.00e+00 e 0 1544 1541 1540 0 3514 116.413 6.393 6.130 2 U -2.840e+04 0.00e+00 e 0 1546 1540 1541 0 3515 116.413 6.130 6.130 3 U 1.000e+06 0.00e+00 e 0 1546 1541 1541 0 3516 130.793 3.911 6.401 2 U -1.910e+03 0.00e+00 e 0 580 571 576 0 3517 130.793 2.630 6.401 2 U -2.280e+03 0.00e+00 e 0 580 573 576 0 3518 130.793 3.152 6.401 2 U -5.060e+03 0.00e+00 e 0 580 574 576 0 3519 130.793 6.401 6.401 3 U 1.000e+06 0.00e+00 e 0 580 576 576 0 3520 130.793 7.038 6.401 2 U -1.700e+04 0.00e+00 e 0 580 577 576 0 3521 130.793 7.132 6.401 2 U -2.760e+03 0.00e+00 e 0 580 585 576 0 3522 130.466 6.401 7.038 2 U -1.040e+04 0.00e+00 e 0 582 576 577 0 3523 130.466 7.038 7.038 3 U 1.000e+06 0.00e+00 e 0 582 577 577 0 3524 130.466 7.132 7.038 2 U -1.080e+04 0.00e+00 e 0 582 585 577 0 3525 129.092 6.401 7.132 2 U -1.240e+03 0.00e+00 e 0 584 576 585 0 3526 129.092 7.038 7.132 2 U -2.510e+04 0.00e+00 e 0 584 577 585 0 3527 129.092 7.132 7.132 3 U 1.000e+06 0.00e+00 e 0 584 585 585 0 3528 131.229 3.971 7.452 2 U -8.280e+03 0.00e+00 e 0 603 594 599 0 3529 131.229 3.132 7.452 2 U -1.880e+04 0.00e+00 e 0 603 598 599 0 3530 131.229 7.452 7.452 3 U 1.000e+06 0.00e+00 e 0 603 599 599 0 3531 131.229 7.474 7.452 2 U -2.060e+05 0.00e+00 e 0 603 600 599 0 3532 131.229 7.361 7.452 2 U -1.250e+04 0.00e+00 e 0 603 608 599 0 3533 130.588 3.132 7.474 2 U -1.370e+04 0.00e+00 e 0 605 598 600 0 3534 130.588 7.452 7.474 2 U 0.000e+00 0.00e+00 - 0 605 599 600 0 3535 130.588 7.474 7.474 3 U 1.000e+06 0.00e+00 e 0 605 600 600 0 3536 130.588 7.361 7.474 2 U -1.960e+04 0.00e+00 e 0 605 608 600 0 3538 129.314 7.452 7.361 2 U -1.600e+04 0.00e+00 e 0 607 599 608 0 3539 129.314 7.474 7.361 2 U -3.380e+04 0.00e+00 e 0 607 600 608 0 3540 129.314 7.361 7.361 3 U 1.000e+06 0.00e+00 e 0 607 608 608 0 3541 125.550 3.830 6.765 2 U 0.000e+00 0.00e+00 - 0 879 873 884 0 3543 125.550 3.439 6.765 2 U 0.000e+00 0.00e+00 - 0 879 876 884 0 3544 125.550 6.765 6.765 3 U 1.000e+06 0.00e+00 e 0 879 884 884 0 3546 125.550 9.822 6.765 2 U -4.130e+03 0.00e+00 e 0 879 888 884 0 3551 119.939 7.485 7.485 3 U 1.000e+06 0.00e+00 e 0 881 885 885 0 3553 119.939 7.014 7.485 2 U -5.730e+03 0.00e+00 e 0 881 889 885 0 3557 120.123 7.485 7.014 2 U -2.290e+03 0.00e+00 e 0 886 885 889 0 3559 120.123 7.014 7.014 3 U 1.000e+06 0.00e+00 e 0 886 889 889 0 3561 120.123 6.738 7.014 2 U 0.000e+00 0.00e+00 - 0 886 892 889 0 3564 112.546 9.822 6.989 2 U -3.370e+03 0.00e+00 e 0 887 888 891 0 3566 112.546 6.989 6.989 3 U 1.000e+06 0.00e+00 e 0 887 891 891 0 3567 112.546 6.738 6.989 2 U -2.360e+03 0.00e+00 e 0 887 892 891 0 3571 121.731 7.014 6.738 2 U -3.700e+03 0.00e+00 e 0 890 889 892 0 3572 121.731 6.989 6.738 2 U -4.170e+03 0.00e+00 e 0 890 891 892 0 3573 121.731 6.738 6.738 3 U 1.000e+06 0.00e+00 e 0 890 892 892 0 3574 132.364 4.758 7.127 2 U -1.770e+03 0.00e+00 e 0 1164 1155 1160 0 3575 132.364 2.808 7.127 2 U -9.720e+03 0.00e+00 e 0 1164 1157 1160 0 3576 132.364 3.441 7.127 2 U -7.030e+03 0.00e+00 e 0 1164 1158 1160 0 3577 132.364 7.127 7.127 3 U 1.000e+06 0.00e+00 e 0 1164 1160 1160 0 3578 132.364 6.740 7.127 2 U -2.970e+04 0.00e+00 e 0 1164 1161 1160 0 3579 117.630 7.127 6.740 2 U -9.850e+04 0.00e+00 e 0 1166 1160 1161 0 3580 117.630 6.740 6.740 3 U 1.000e+06 0.00e+00 e 0 1166 1161 1161 0 3582 119.941 3.038 7.006 2 U -3.170e+03 0.00e+00 e 0 1203 1198 1207 0 3583 119.941 3.283 7.006 2 U -2.230e+03 0.00e+00 e 0 1203 1199 1207 0 3584 119.941 7.006 7.006 3 U 1.000e+06 0.00e+00 e 0 1203 1207 1207 0 3588 130.447 4.057 6.920 2 U -1.530e+03 0.00e+00 e 0 1394 1385 1390 0 3589 130.447 3.116 6.920 2 U -8.660e+02 0.00e+00 e 0 1394 1387 1390 0 3590 130.447 2.970 6.920 2 U -9.390e+02 0.00e+00 e 0 1394 1388 1390 0 3591 130.447 6.920 6.920 3 U 1.000e+06 0.00e+00 e 0 1394 1390 1390 0 3594 130.537 6.920 7.447 2 U -2.240e+03 0.00e+00 e 0 1396 1390 1391 0 3595 130.537 7.447 7.447 3 U 1.000e+06 0.00e+00 e 0 1396 1391 1391 0 3596 130.537 7.160 7.447 2 U -1.620e+03 0.00e+00 e 0 1396 1399 1391 0 3599 129.881 7.160 7.160 3 U 1.000e+06 0.00e+00 e 0 1398 1399 1399 0 3602 133.541 2.757 7.431 2 U -1.270e+04 0.00e+00 e 0 546 541 542 0 3603 133.541 7.431 7.431 3 U 1.000e+06 0.00e+00 e 0 546 542 542 0 3604 133.541 6.984 7.431 2 U -2.450e+04 0.00e+00 e 0 546 543 542 0 3605 117.435 7.431 6.984 2 U -3.620e+04 0.00e+00 e 0 548 542 543 0 3606 117.435 6.984 6.984 3 U 1.000e+06 0.00e+00 e 0 548 543 543 0 3607 117.581 4.283 6.965 2 U -2.620e+03 0.00e+00 e 0 1583 1576 1587 0 3608 117.581 2.912 6.965 2 U 1.330e+02 0.00e+00 e 0 1583 1578 1587 0 3609 117.581 3.257 6.965 2 U -9.090e+02 0.00e+00 e 0 1583 1579 1587 0 3610 117.581 6.965 6.965 3 U 1.000e+06 0.00e+00 e 0 1583 1587 1587 0 3614 118.585 4.781 6.885 2 U -1.200e+03 0.00e+00 e 0 1600 1593 1604 0 3615 118.585 3.276 6.885 2 U -2.600e+03 0.00e+00 e 0 1600 1597 1604 0 3616 118.585 6.885 6.885 3 U 1.000e+06 0.00e+00 e 0 1600 1604 1604 0 3625 130.184 3.449 6.448 2 U -2.730e+03 0.00e+00 e 0 1733 1724 1729 0 3626 130.184 2.203 6.448 2 U -2.120e+03 0.00e+00 e 0 1733 1726 1729 0 3627 130.184 2.530 6.448 2 U -2.610e+02 0.00e+00 e 0 1733 1727 1729 0 3628 130.184 6.448 6.448 3 U 1.000e+06 0.00e+00 e 0 1733 1729 1729 0 3629 130.184 7.075 6.448 2 U -5.950e+03 0.00e+00 e 0 1733 1730 1729 0 3630 130.184 6.668 6.448 2 U -1.330e+03 0.00e+00 e 0 1733 1738 1729 0 3631 130.035 6.448 7.075 2 U -1.500e+03 0.00e+00 e 0 1735 1729 1730 0 3632 130.035 7.075 7.075 3 U 1.000e+06 0.00e+00 e 0 1735 1730 1730 0 3633 130.035 6.668 7.075 2 U -6.790e+02 0.00e+00 e 0 1735 1738 1730 0 3635 128.209 7.075 6.668 2 U -4.610e+03 0.00e+00 e 0 1737 1730 1738 0 3636 128.209 6.668 6.668 3 U 1.000e+06 0.00e+00 e 0 1737 1738 1738 0 3637 132.681 4.173 7.130 2 U -6.060e+03 0.00e+00 e 0 1891 1882 1887 0 3638 132.681 3.169 7.130 2 U -1.200e+04 0.00e+00 e 0 1891 1884 1887 0 3639 132.681 3.279 7.130 2 U -1.140e+04 0.00e+00 e 0 1891 1885 1887 0 3640 132.681 7.130 7.130 3 U 1.000e+06 0.00e+00 e 0 1891 1887 1887 0 3641 132.681 6.810 7.130 2 U -5.550e+04 0.00e+00 e 0 1891 1888 1887 0 3642 117.378 7.130 6.810 2 U -8.590e+04 0.00e+00 e 0 1893 1887 1888 0 3643 117.378 6.810 6.810 3 U 1.000e+06 0.00e+00 e 0 1893 1888 1888 0 3644 119.833 4.002 6.946 2 U 8.400e+02 0.00e+00 e 0 1947 1940 1951 0 3645 119.833 2.976 6.946 2 U -2.000e+03 0.00e+00 e 0 1947 1942 1951 0 3646 119.833 3.001 6.946 2 U -4.750e+03 0.00e+00 e 0 1947 1943 1951 0 3647 119.833 6.946 6.946 3 U 1.000e+06 0.00e+00 e 0 1947 1951 1951 0 3648 119.833 8.440 6.946 2 U -8.130e+02 0.00e+00 e 0 1947 1938 1951 0 6001 22.984 8.504 0.967 1 U 0.000e+00 0.00e+00 - 0 120 173 115 0 6003 22.984 2.062 0.967 1 U 1.211e+04 0.00e+00 e 0 120 181 115 0 6004 22.984 2.453 0.967 1 U 2.503e+04 0.00e+00 e 0 120 182 115 0 6005 22.984 2.894 0.967 1 U 1.368e+04 0.00e+00 e 0 120 2001 115 0 6006 22.984 4.494 0.967 1 U 1.510e+04 0.00e+00 e 0 120 164 115 0 6007 22.984 3.809 0.967 1 U 1.450e+04 0.00e+00 e 0 120 1985 115 0 6008 22.984 5.209 0.967 1 U 3.600e+03 0.00e+00 e 0 120 166 115 0 6009 25.464 2.065 0.940 1 U 6.570e+03 0.00e+00 e 0 116 181 114 0 6010 25.464 2.453 0.940 1 U 2.590e+03 0.00e+00 e 0 116 182 114 0 6013 59.505 0.961 4.039 1 U -4.810e+03 0.00e+00 e 0 128 115 129 0 6016 17.582 0.983 2.002 1 U -1.390e+04 0.00e+00 e 0 154 0 153 0 6017 17.582 0.660 2.002 1 U -5.994e+04 0.00e+00 e 0 154 93 153 0 6018 17.582 3.855 2.002 1 U -4.690e+04 0.00e+00 e 0 154 923 153 0 6019 17.582 4.226 2.002 1 U -7.440e+04 0.00e+00 e 0 154 85 153 0 6020 17.582 3.491 2.002 1 U -6.190e+03 0.00e+00 e 0 154 922 153 0 6022 59.938 8.849 4.031 1 U -4.470e+03 0.00e+00 e 0 143 0 144 0 6023 17.582 8.837 2.002 1 U -1.940e+03 0.00e+00 e 0 154 0 153 0 6024 17.582 8.961 2.002 1 U -6.690e+02 0.00e+00 e 0 154 927 153 0 6025 17.582 9.270 2.002 1 U -5.310e+03 0.00e+00 e 0 154 871 153 0 6026 17.582 7.655 2.002 1 U -5.380e+03 0.00e+00 e 0 154 920 153 0 6027 17.582 8.099 2.002 1 U -8.880e+02 0.00e+00 e 0 154 0 153 0 6028 17.582 6.765 2.002 1 U -7.370e+03 0.00e+00 e 0 154 884 153 0 6029 22.622 3.913 1.203 1 U 1.610e+04 0.00e+00 e 0 167 1918 165 0 6030 22.622 3.979 1.203 1 U 4.380e+03 0.00e+00 e 0 167 107 165 0 6031 22.622 5.207 1.203 1 U 1.190e+04 0.00e+00 e 0 167 166 165 0 6032 68.461 5.203 4.493 1 U -6.050e+03 0.00e+00 e 0 163 166 164 0 6034 22.622 9.822 1.196 1 U 2.140e+04 0.00e+00 e 0 167 888 165 0 6035 22.622 8.227 1.203 1 U 1.280e+04 0.00e+00 e 0 167 1983 165 0 6038 68.461 8.128 4.493 1 U -2.730e+03 0.00e+00 e 0 163 0 164 0 6039 22.622 8.128 1.203 1 U 8.570e+02 0.00e+00 e 0 167 206 165 0 6040 22.622 2.512 1.203 1 U 6.710e+03 0.00e+00 e 0 167 1969 165 0 6041 22.622 2.054 1.203 1 U 1.810e+04 0.00e+00 e 0 167 1988 165 0 6042 22.622 1.803 1.203 1 U 2.040e+04 0.00e+00 e 0 167 1987 165 0 6043 22.622 1.630 1.203 1 U 2.290e+04 0.00e+00 e 0 167 211 165 0 6044 22.622 1.498 1.203 1 U 2.310e+04 0.00e+00 e 0 167 1992 165 0 6045 22.622 0.217 1.203 1 U 4.900e+04 0.00e+00 e 0 167 238 165 0 6046 22.622 0.015 1.203 1 U 4.260e+04 0.00e+00 e 0 167 1925 165 0 6048 36.808 0.958 2.062 1 U 1.260e+04 0.00e+00 e 0 180 115 181 0 6049 36.808 0.962 2.462 1 U 2.810e+04 0.00e+00 e 0 180 115 182 0 6052 33.679 1.237 2.316 1 U 1.520e+04 0.00e+00 e 0 195 265 196 0 6053 33.679 1.233 2.505 1 U 1.070e+04 0.00e+00 e 0 195 265 197 0 6058 33.679 1.004 2.505 1 U 2.116e+04 0.00e+00 e 0 195 813 197 0 6059 33.679 1.004 2.316 1 U 3.300e+04 0.00e+00 e 0 195 813 196 0 6060 27.834 0.995 2.264 1 U 9.590e+03 0.00e+00 e 0 191 813 193 0 6061 27.834 0.991 2.090 1 U 1.980e+04 0.00e+00 e 0 191 813 192 0 6064 14.191 2.113 0.304 1 U -1.390e+04 0.00e+00 e 0 218 807 217 0 6065 14.191 2.988 0.304 1 U 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6.350e+03 0.00e+00 e 0 234 1940 237 0 6081 12.607 2.890 0.220 1 U -1.120e+04 0.00e+00 e 0 239 2001 238 0 6082 29.571 2.903 1.534 1 U 2.680e+04 0.00e+00 e 0 234 2001 237 0 6083 65.686 0.983 3.272 1 U -1.100e+04 0.00e+00 e 0 225 1867 226 0 6084 16.666 0.991 0.805 1 U -4.430e+04 0.00e+00 e 0 230 1867 229 0 6085 12.607 0.987 0.220 1 U -2.320e+04 0.00e+00 e 0 239 1920 238 0 6086 12.607 1.210 0.220 1 U -3.600e+04 0.00e+00 e 0 239 165 238 0 6087 12.607 1.346 0.220 1 U -6.420e+03 0.00e+00 e 0 239 1991 238 0 6088 12.607 2.087 0.220 1 U -5.830e+03 0.00e+00 e 0 239 177 238 0 6089 12.607 2.034 0.220 1 U -9.580e+03 0.00e+00 e 0 239 1988 238 0 6090 16.666 2.137 0.805 1 U -1.240e+04 0.00e+00 e 0 230 296 229 0 6091 16.666 2.240 0.805 1 U -3.490e+03 0.00e+00 e 0 230 292 229 0 6092 16.666 2.693 0.805 1 U -1.830e+04 0.00e+00 e 0 230 297 229 0 6093 16.666 1.210 0.805 1 U -7.080e+03 0.00e+00 e 0 230 165 229 0 6094 14.191 0.023 0.304 1 U -2.630e+04 0.00e+00 e 0 218 1925 217 0 6095 16.666 0.366 0.805 1 U 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331 0 6161 46.368 0.729 3.794 1 U 2.330e+03 0.00e+00 e 0 329 1453 330 0 6162 46.368 7.660 3.502 1 U 1.074e+03 0.00e+00 e 0 329 345 331 0 6163 17.283 7.079 1.682 1 U -2.560e+04 0.00e+00 e 0 339 1730 338 0 6164 17.283 6.662 1.682 1 U -6.400e+03 0.00e+00 e 0 339 1738 338 0 6165 55.110 7.083 4.487 1 U -1.760e+04 0.00e+00 e 0 336 1730 337 0 6166 55.110 6.674 4.487 1 U -8.790e+03 0.00e+00 e 0 336 1738 337 0 6167 17.283 1.008 1.682 1 U -3.440e+04 0.00e+00 e 0 339 1807 338 0 6168 17.283 0.729 1.682 1 U -7.960e+03 0.00e+00 e 0 339 1453 338 0 6169 17.283 0.877 1.682 1 U -7.170e+03 0.00e+00 e 0 339 1868 338 0 6170 55.110 0.728 4.487 1 U -2.270e+03 0.00e+00 e 0 336 1453 337 0 6171 40.460 7.820 2.724 1 U 2.500e+03 0.00e+00 e 0 348 0 351 0 6172 56.932 1.691 4.458 1 U -7.020e+03 0.00e+00 e 0 346 338 347 0 6173 40.460 1.679 2.724 1 U 3.728e+03 0.00e+00 e 0 348 338 351 0 6174 40.460 2.190 2.724 1 U 2.020e+03 0.00e+00 e 0 348 410 351 0 6176 115.621 4.288 6.242 1 U -2.230e+04 0.00e+00 e 0 395 1576 390 0 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594 0 6202 129.314 0.957 7.361 1 U -3.110e+03 0.00e+00 e 0 607 0 608 0 6203 22.495 7.429 0.937 1 U 2.511e+04 0.00e+00 e 0 637 542 635 0 6204 22.495 7.006 0.937 1 U 3.970e+03 0.00e+00 e 0 637 0 635 0 6205 22.495 6.134 0.937 1 U 1.398e+04 0.00e+00 e 0 637 1541 635 0 6206 22.495 6.388 0.937 1 U 3.660e+03 0.00e+00 e 0 637 1540 635 0 6207 22.495 2.571 0.937 1 U 4.609e+03 0.00e+00 e 0 637 645 635 0 6208 22.495 2.761 0.937 1 U 5.527e+03 0.00e+00 e 0 637 541 635 0 6211 16.610 2.761 0.507 1 U -3.867e+03 0.00e+00 e 0 649 1538 648 0 6213 13.555 2.757 0.765 1 U -1.619e+04 0.00e+00 e 0 658 1538 657 0 6214 13.555 3.971 0.765 1 U -4.042e+03 0.00e+00 e 0 658 594 657 0 6215 16.610 3.971 0.507 1 U -5.528e+03 0.00e+00 e 0 649 594 648 0 6216 13.555 6.408 0.765 1 U -6.616e+03 0.00e+00 e 0 658 576 657 0 6217 16.610 6.410 0.507 1 U -1.316e+04 0.00e+00 e 0 649 576 648 0 6218 16.610 7.046 0.507 1 U -1.400e+04 0.00e+00 e 0 649 577 648 0 6219 16.610 8.414 0.507 1 U -1.140e+04 0.00e+00 e 0 649 664 648 0 6220 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1.625 1 U -3.750e+03 0.00e+00 e 0 829 1351 828 0 6321 18.605 3.087 1.625 1 U -9.260e+03 0.00e+00 e 0 829 875 828 0 6322 18.605 3.779 1.625 1 U -8.490e+03 0.00e+00 e 0 829 1335 828 0 6323 18.605 7.430 1.625 1 U -2.300e+04 0.00e+00 e 0 829 1391 828 0 6324 18.605 6.929 1.625 1 U -2.880e+04 0.00e+00 e 0 829 1390 828 0 6325 18.605 8.822 1.625 1 U -3.960e+03 0.00e+00 e 0 829 895 828 0 6326 55.068 7.511 4.206 1 U -3.090e+03 0.00e+00 e 0 826 885 827 0 6327 18.374 3.093 1.589 1 U -3.190e+03 0.00e+00 e 0 839 0 838 0 6328 62.374 2.008 3.830 1 U -1.240e+04 0.00e+00 e 0 872 153 873 0 6329 125.550 2.008 6.765 1 U -3.680e+03 0.00e+00 e 0 879 153 884 0 6334 62.374 0.660 3.830 1 U -9.700e+03 0.00e+00 e 0 872 93 873 0 6335 125.550 0.660 6.765 1 U -2.750e+03 0.00e+00 e 0 879 93 884 0 6349 112.546 1.211 6.989 1 U -7.430e+03 0.00e+00 e 0 887 1971 891 0 6350 112.546 0.998 6.989 1 U -4.130e+03 0.00e+00 e 0 887 1970 891 0 6351 112.546 0.016 6.989 1 U -2.890e+03 0.00e+00 e 0 887 1925 891 0 6353 121.731 3.400 6.738 1 U 0.000e+00 0.00e+00 - 0 890 0 892 0 6354 121.731 1.338 6.738 1 U -2.890e+03 0.00e+00 e 0 890 1280 892 0 6355 121.731 1.205 6.738 1 U -5.880e+03 0.00e+00 e 0 890 1971 892 0 6356 17.539 0.344 1.520 1 U -2.420e+04 0.00e+00 e 0 899 930 898 0 6357 17.539 0.565 1.520 1 U -4.105e+03 0.00e+00 e 0 899 1283 898 0 6358 17.539 0.762 1.520 1 U -5.340e+04 0.00e+00 e 0 899 1274 898 0 6359 17.539 0.837 1.520 1 U -3.310e+04 0.00e+00 e 0 899 946 898 0 6360 55.128 0.762 3.220 1 U -1.610e+04 0.00e+00 e 0 896 1274 897 0 6361 17.539 3.883 1.520 1 U -2.470e+03 0.00e+00 e 0 899 907 898 0 6363 17.539 2.050 1.520 1 U -3.987e+03 0.00e+00 e 0 899 1338 898 0 6364 17.539 7.020 1.520 1 U -4.920e+03 0.00e+00 e 0 899 889 898 0 6365 17.539 6.951 1.520 1 U -2.260e+03 0.00e+00 e 0 899 0 898 0 6367 55.128 7.507 3.220 1 U -1.500e+03 0.00e+00 e 0 896 0 897 0 6368 17.539 7.500 1.520 1 U -9.937e+03 0.00e+00 e 0 899 885 898 0 6369 17.539 8.360 1.520 1 U -5.130e+03 0.00e+00 e 0 899 937 898 0 6370 55.128 8.384 3.220 1 U -4.570e+03 0.00e+00 e 0 896 937 897 0 6372 17.539 9.282 1.520 1 U -1.670e+03 0.00e+00 e 0 899 871 898 0 6373 17.539 8.576 1.520 1 U -1.590e+03 0.00e+00 e 0 899 1333 898 0 6378 29.473 1.522 2.039 1 U 1.530e+03 0.00e+00 e 0 908 0 909 0 6379 29.473 1.522 2.104 1 U 5.480e+03 0.00e+00 e 0 908 898 910 0 6381 35.985 1.522 2.384 1 U 4.220e+03 0.00e+00 e 0 912 898 914 0 6385 59.230 0.981 3.883 1 U -6.700e+03 0.00e+00 e 0 906 0 907 0 6386 59.230 0.839 3.883 1 U -2.380e+04 0.00e+00 e 0 906 946 907 0 6387 29.473 0.835 2.039 1 U 2.160e+03 0.00e+00 e 0 908 946 909 0 6388 35.985 0.835 2.222 1 U 3.720e+03 0.00e+00 e 0 912 946 913 0 6389 35.985 0.831 2.384 1 U 3.160e+03 0.00e+00 e 0 912 946 914 0 6390 16.684 7.669 0.345 1 U -3.330e+03 0.00e+00 e 0 931 920 930 0 6391 16.684 7.505 0.345 1 U -8.100e+03 0.00e+00 e 0 931 885 930 0 6392 16.684 7.365 0.345 1 U -1.160e+03 0.00e+00 e 0 931 0 930 0 6393 16.684 7.010 0.345 1 U -6.640e+03 0.00e+00 e 0 931 889 930 0 6394 16.684 2.118 0.345 1 U -2.900e+03 0.00e+00 e 0 931 1273 930 0 6395 16.684 2.005 0.345 1 U -1.840e+03 0.00e+00 e 0 931 153 930 0 6396 16.684 1.925 0.345 1 U -1.950e+03 0.00e+00 e 0 931 2046 930 0 6397 16.684 1.806 0.345 1 U -5.930e+03 0.00e+00 e 0 931 945 930 0 6398 16.684 1.522 0.345 1 U -7.280e+03 0.00e+00 e 0 931 898 930 0 6399 16.684 1.352 0.345 1 U -1.320e+04 0.00e+00 e 0 931 1280 930 0 6400 16.684 1.222 0.345 1 U -1.880e+04 0.00e+00 e 0 931 1971 930 0 6401 54.498 1.948 3.641 1 U -5.424e+03 0.00e+00 e 0 928 2046 929 0 6405 16.684 0.551 0.345 1 U -8.570e+04 0.00e+00 e 0 931 1283 930 0 6406 16.684 0.752 0.345 1 U -4.930e+04 0.00e+00 e 0 931 1274 930 0 6407 16.684 0.841 0.345 1 U -2.007e+04 0.00e+00 e 0 931 1001 930 0 6408 16.684 0.980 0.345 1 U -2.700e+04 0.00e+00 e 0 931 1970 930 0 6409 16.684 0.660 0.345 1 U -1.258e+04 0.00e+00 e 0 931 93 930 0 6411 47.140 1.489 3.490 1 U 3.040e+03 0.00e+00 e 0 921 0 922 0 6415 47.140 0.660 3.851 1 U 4.220e+03 0.00e+00 e 0 921 93 923 0 6416 47.140 0.571 3.851 1 U 1.710e+03 0.00e+00 e 0 921 92 923 0 6417 47.140 0.660 3.490 1 U 2.370e+03 0.00e+00 e 0 921 93 922 0 6421 25.158 7.448 0.829 1 U 4.980e+03 0.00e+00 e 0 948 905 946 0 6422 25.158 7.497 0.829 1 U 3.270e+03 0.00e+00 e 0 948 0 946 0 6424 23.447 3.656 0.843 1 U 3.140e+03 0.00e+00 e 0 952 1213 947 0 6428 25.158 2.513 0.829 1 U 4.260e+03 0.00e+00 e 0 948 1299 946 0 6429 25.158 2.189 0.829 1 U 1.500e+04 0.00e+00 e 0 948 1298 946 0 6430 25.158 2.071 0.829 1 U 1.880e+04 0.00e+00 e 0 948 1296 946 0 6431 25.158 1.522 0.829 1 U 3.280e+04 0.00e+00 e 0 948 898 946 0 6432 23.447 2.947 0.843 1 U 1.380e+03 0.00e+00 e 0 952 1229 947 0 6433 23.447 2.501 0.843 1 U 6.210e+03 0.00e+00 e 0 952 1299 947 0 6435 23.447 1.605 0.843 1 U 9.680e+04 0.00e+00 e 0 952 0 947 0 6436 25.158 4.005 0.829 1 U 2.450e+03 0.00e+00 e 0 948 0 946 0 6438 57.303 1.364 3.921 1 U -1.210e+04 0.00e+00 e 0 938 0 939 0 6439 57.303 0.702 3.921 1 U -9.350e+03 0.00e+00 e 0 938 1010 939 0 6442 35.587 3.854 2.286 1 U 1.043e+03 0.00e+00 e 0 966 923 969 0 6444 35.587 1.644 2.286 1 U 8.950e+03 0.00e+00 e 0 966 1029 969 0 6445 58.783 1.341 4.033 1 U -2.247e+03 0.00e+00 e 0 960 1025 961 0 6446 58.783 1.597 4.033 1 U -2.530e+03 0.00e+00 e 0 960 1026 961 0 6447 58.783 0.944 4.033 1 U -1.722e+03 0.00e+00 e 0 960 0 961 0 6451 35.587 1.033 2.286 1 U 3.150e+04 0.00e+00 e 0 966 1047 969 0 6452 35.587 0.926 2.286 1 U 1.400e+04 0.00e+00 e 0 966 1048 969 0 6453 35.587 0.843 2.286 1 U 1.160e+04 0.00e+00 e 0 966 984 969 0 6454 23.759 3.605 0.848 1 U 4.219e+03 0.00e+00 e 0 989 2036 984 0 6455 26.110 3.607 0.725 1 U 6.591e+03 0.00e+00 e 0 985 2036 983 0 6458 26.110 0.595 0.725 1 U 4.370e+04 0.00e+00 e 0 985 92 983 0 6459 41.367 0.618 2.045 1 U 3.270e+03 0.00e+00 e 0 977 0 978 0 6460 13.963 3.925 0.700 1 U -2.428e+04 0.00e+00 e 0 1011 939 1010 0 6461 13.963 3.684 0.700 1 U -4.190e+04 0.00e+00 e 0 1011 1213 1010 0 6462 17.617 3.921 0.840 1 U -1.437e+04 0.00e+00 e 0 1002 939 1001 0 6463 17.617 3.770 0.840 1 U -5.162e+03 0.00e+00 e 0 1002 1123 1001 0 6464 17.617 3.670 0.840 1 U -5.910e+03 0.00e+00 e 0 1002 1213 1001 0 6465 27.413 3.929 1.334 1 U 1.180e+04 0.00e+00 e 0 1006 939 1009 0 6466 13.963 2.109 0.700 1 U -1.331e+04 0.00e+00 e 0 1011 1273 1010 0 6467 13.963 1.850 0.700 1 U -2.758e+04 0.00e+00 e 0 1011 1216 1010 0 6468 13.963 1.775 0.700 1 U -2.751e+04 0.00e+00 e 0 1011 1215 1010 0 6469 13.963 1.651 0.700 1 U -1.780e+04 0.00e+00 e 0 1011 1225 1010 0 6470 13.963 1.229 0.700 1 U -1.540e+04 0.00e+00 e 0 1011 0 1010 0 6471 17.617 2.113 0.840 1 U -6.186e+03 0.00e+00 e 0 1002 1273 1001 0 6472 17.617 1.862 0.840 1 U -5.670e+03 0.00e+00 e 0 1002 1216 1001 0 6473 17.617 1.778 0.840 1 U -4.643e+03 0.00e+00 e 0 1002 1215 1001 0 6474 17.617 1.442 0.840 1 U -8.153e+03 0.00e+00 e 0 1002 0 1001 0 6475 63.215 1.904 4.035 1 U -4.359e+03 0.00e+00 e 0 997 0 998 0 6476 17.617 0.557 0.840 1 U -3.792e+04 0.00e+00 e 0 1002 1283 1001 0 6477 13.963 0.563 0.700 1 U -6.448e+04 0.00e+00 e 0 1011 1283 1010 0 6478 13.963 0.966 0.700 1 U -1.746e+04 0.00e+00 e 0 1011 1182 1010 0 6479 17.617 0.962 0.840 1 U -4.400e+04 0.00e+00 e 0 1002 1182 1001 0 6481 13.963 7.664 0.700 1 U -3.840e+03 0.00e+00 e 0 1011 0 1010 0 6482 17.617 7.707 0.840 1 U -1.080e+03 0.00e+00 e 0 1002 974 1001 0 6483 26.548 0.589 0.583 1 U 3.610e+05 0.00e+00 e 0 94 92 92 0 6484 26.548 0.344 0.583 1 U 7.624e+03 0.00e+00 e 0 94 930 92 0 6485 26.548 0.711 0.583 1 U 3.336e+04 0.00e+00 e 0 94 983 92 0 6486 26.548 0.953 0.583 1 U 2.460e+04 0.00e+00 e 0 94 2039 92 0 6487 26.548 1.388 0.583 1 U 3.070e+03 0.00e+00 e 0 94 979 92 0 6488 26.548 1.443 0.583 1 U 1.500e+04 0.00e+00 e 0 94 87 92 0 6489 26.548 1.792 0.583 1 U 8.438e+03 0.00e+00 e 0 94 88 92 0 6490 26.548 2.045 0.583 1 U 1.400e+03 0.00e+00 e 0 94 978 92 0 6491 26.548 3.637 0.583 1 U 1.470e+04 0.00e+00 e 0 94 929 92 0 6492 26.548 3.829 0.583 1 U 1.980e+03 0.00e+00 e 0 94 923 92 0 6493 26.548 4.226 0.583 1 U 4.410e+03 0.00e+00 e 0 94 85 92 0 6495 26.548 8.485 0.583 1 U 1.430e+03 0.00e+00 e 0 94 160 92 0 6496 26.548 8.966 0.583 1 U 3.400e+03 0.00e+00 e 0 94 105 92 0 6503 20.968 4.006 1.024 1 U -1.810e+04 0.00e+00 e 0 1049 976 1047 0 6506 32.388 7.517 2.155 1 U 2.353e+03 0.00e+00 e 0 1045 1017 1046 0 6507 20.968 7.531 1.024 1 U -5.937e+03 0.00e+00 e 0 1049 1017 1047 0 6508 21.108 7.531 0.940 1 U -2.120e+03 0.00e+00 e 0 1053 1017 1048 0 6509 32.388 1.575 2.155 1 U 3.982e+03 0.00e+00 e 0 1045 1070 1046 0 6510 32.388 1.658 2.155 1 U 4.213e+03 0.00e+00 e 0 1045 1030 1046 0 6511 20.968 1.585 1.024 1 U 0.000e+00 0.00e+00 - 0 1049 1070 1047 0 6512 20.968 1.645 1.024 1 U 0.000e+00 0.00e+00 - 0 1049 1029 1047 0 6513 21.108 1.570 0.940 1 U -1.910e+04 0.00e+00 e 0 1053 1070 1048 0 6514 21.108 1.645 0.940 1 U -1.560e+04 0.00e+00 e 0 1053 1029 1048 0 6516 43.100 0.930 3.115 1 U 5.920e+03 0.00e+00 e 0 1071 1048 1074 0 6517 43.100 0.828 3.115 1 U 5.687e+03 0.00e+00 e 0 1071 984 1074 0 6518 43.100 0.729 3.115 1 U 2.080e+03 0.00e+00 e 0 1071 983 1074 0 6519 132.364 1.411 7.127 1 U -5.600e+03 0.00e+00 e 0 1164 1958 1160 0 6520 132.364 1.223 7.127 1 U -2.660e+03 0.00e+00 e 0 1164 1133 1160 0 6521 132.364 4.070 7.127 1 U -2.890e+03 0.00e+00 e 0 1164 2021 1160 0 6524 132.364 6.934 7.127 1 U -3.420e+03 0.00e+00 e 0 1164 1176 1160 0 6529 117.630 4.059 6.740 1 U -5.310e+03 0.00e+00 e 0 1166 2021 1161 0 6530 117.630 3.433 6.740 1 U -2.090e+03 0.00e+00 e 0 1166 1158 1161 0 6532 117.630 3.260 6.740 1 U -4.980e+03 0.00e+00 e 0 1166 2079 1161 0 6533 117.630 2.804 6.740 1 U -7.489e+03 0.00e+00 e 0 1166 1157 1161 0 6534 117.630 2.172 6.740 1 U -4.790e+03 0.00e+00 e 0 1166 2024 1161 0 6535 117.630 2.066 6.740 1 U -6.770e+03 0.00e+00 e 0 1166 0 1161 0 6536 117.630 1.745 6.740 1 U -6.020e+03 0.00e+00 e 0 1166 2073 1161 0 6537 117.630 1.400 6.740 1 U -6.530e+03 0.00e+00 e 0 1166 1958 1161 0 6538 117.630 1.223 6.740 1 U -1.430e+03 0.00e+00 e 0 1166 1133 1161 0 6539 117.630 1.087 6.740 1 U -3.980e+03 0.00e+00 e 0 1166 1132 1161 0 6540 117.630 1.040 6.740 1 U -9.280e+02 0.00e+00 e 0 1166 1137 1161 0 6541 20.394 1.201 0.785 1 U -9.570e+04 0.00e+00 e 0 1183 1971 1181 0 6542 20.394 1.395 0.785 1 U -5.800e+04 0.00e+00 e 0 1183 1958 1181 0 6543 20.394 1.340 0.785 1 U -1.990e+04 0.00e+00 e 0 1183 1280 1181 0 6544 21.034 1.201 0.960 1 U -7.316e+04 0.00e+00 e 0 1187 1971 1182 0 6545 21.034 1.407 0.960 1 U -4.568e+04 0.00e+00 e 0 1187 1958 1182 0 6546 34.500 1.403 1.824 1 U 2.120e+04 0.00e+00 e 0 1179 1958 1180 0 6551 20.394 2.057 0.785 1 U -3.530e+04 0.00e+00 e 0 1183 0 1181 0 6552 20.394 2.117 0.785 1 U -1.538e+04 0.00e+00 e 0 1183 2023 1181 0 6553 34.500 2.080 1.824 1 U 5.430e+03 0.00e+00 e 0 1179 0 1180 0 6556 20.394 2.309 0.785 1 U -1.180e+04 0.00e+00 e 0 1183 1255 1181 0 6557 20.394 3.561 0.785 1 U -9.520e+03 0.00e+00 e 0 1183 1967 1181 0 6558 20.394 3.789 0.785 1 U -1.010e+03 0.00e+00 e 0 1183 1271 1181 0 6559 20.394 3.864 0.785 1 U -2.900e+03 0.00e+00 e 0 1183 1905 1181 0 6560 20.394 4.124 0.785 1 U -3.230e+03 0.00e+00 e 0 1183 1957 1181 0 6561 21.034 2.305 0.960 1 U -2.320e+04 0.00e+00 e 0 1187 1255 1182 0 6562 21.034 2.053 0.960 1 U -2.720e+04 0.00e+00 e 0 1187 0 1182 0 6563 21.034 3.561 0.960 1 U -8.000e+03 0.00e+00 e 0 1187 1967 1182 0 6564 20.394 7.537 0.785 1 U -3.420e+03 0.00e+00 e 0 1183 1269 1181 0 6565 20.394 8.318 0.785 1 U -4.224e+03 0.00e+00 e 0 1183 1965 1181 0 6566 21.034 7.127 0.960 1 U -2.340e+03 0.00e+00 e 0 1187 1160 1182 0 6567 21.034 7.975 0.960 1 U -6.640e+03 0.00e+00 e 0 1187 0 1182 0 6568 21.034 8.298 0.960 1 U -4.884e+03 0.00e+00 e 0 1187 1965 1182 0 6569 20.394 7.983 0.785 1 U -2.210e+03 0.00e+00 e 0 1183 0 1181 0 6575 32.832 0.839 1.775 1 U 3.440e+03 0.00e+00 e 0 1214 946 1215 0 6578 28.312 3.743 2.310 1 U 3.820e+03 0.00e+00 e 0 1254 0 1255 0 6579 18.084 7.016 0.756 1 U -1.280e+04 0.00e+00 e 0 1275 889 1274 0 6580 18.084 6.738 0.756 1 U -9.830e+03 0.00e+00 e 0 1275 892 1274 0 6581 12.758 7.373 0.562 1 U -1.530e+03 0.00e+00 e 0 1284 1251 1283 0 6582 12.758 7.016 0.562 1 U -1.037e+04 0.00e+00 e 0 1284 889 1283 0 6583 12.758 6.734 0.562 1 U -1.810e+04 0.00e+00 e 0 1284 892 1283 0 6584 18.084 3.936 0.756 1 U -1.200e+04 0.00e+00 e 0 1275 939 1274 0 6585 18.084 3.672 0.756 1 U -5.250e+03 0.00e+00 e 0 1275 1213 1274 0 6586 12.758 3.921 0.562 1 U -8.438e+03 0.00e+00 e 0 1284 939 1283 0 6587 12.758 3.672 0.562 1 U -2.260e+04 0.00e+00 e 0 1284 1213 1283 0 6588 18.084 3.227 0.756 1 U -2.070e+04 0.00e+00 e 0 1275 897 1274 0 6589 12.758 1.834 0.562 1 U -2.030e+04 0.00e+00 e 0 1284 1180 1283 0 6590 18.084 1.822 0.756 1 U -4.100e+04 0.00e+00 e 0 1275 945 1274 0 6591 18.084 2.497 0.756 1 U -3.840e+03 0.00e+00 e 0 1275 1299 1274 0 6594 64.110 1.230 3.775 1 U -8.510e+03 0.00e+00 e 0 1270 1908 1271 0 6595 36.839 0.827 2.112 1 U 5.100e+03 0.00e+00 e 0 1272 946 1273 0 6596 18.084 1.226 0.756 1 U -8.240e+03 0.00e+00 e 0 1275 1908 1274 0 6597 18.084 1.522 0.756 1 U -3.270e+04 0.00e+00 e 0 1275 898 1274 0 6598 28.443 1.605 1.334 1 U 2.040e+04 0.00e+00 e 0 1279 0 1280 0 6599 28.443 1.743 1.334 1 U 5.660e+03 0.00e+00 e 0 1279 0 1280 0 6600 12.758 1.227 0.562 1 U -9.220e+04 0.00e+00 e 0 1284 1908 1283 0 6601 12.758 0.957 0.562 1 U -5.550e+04 0.00e+00 e 0 1284 1182 1283 0 6602 12.758 0.792 0.562 1 U -3.760e+04 0.00e+00 e 0 1284 1181 1283 0 6603 18.084 0.358 0.756 1 U -6.720e+04 0.00e+00 e 0 1275 930 1274 0 6604 12.758 0.350 0.562 1 U -9.280e+04 0.00e+00 e 0 1284 930 1283 0 6605 18.084 0.464 0.756 1 U -7.310e+03 0.00e+00 e 0 1275 0 1274 0 6606 37.286 4.173 2.508 1 U 6.570e+03 0.00e+00 e 0 1297 1238 1299 0 6607 37.286 4.153 2.181 1 U 2.370e+03 0.00e+00 e 0 1297 1238 1298 0 6610 37.286 1.309 2.508 1 U 8.300e+03 0.00e+00 e 0 1297 1221 1299 0 6611 37.286 1.309 2.181 1 U 3.950e+03 0.00e+00 e 0 1297 1221 1298 0 6612 59.230 0.772 3.966 1 U -3.049e+03 0.00e+00 e 0 1291 1274 1292 0 6614 59.230 0.831 3.966 1 U -7.844e+03 0.00e+00 e 0 1291 946 1292 0 6615 37.286 0.831 2.181 1 U 2.230e+04 0.00e+00 e 0 1297 946 1298 0 6616 37.286 0.828 2.508 1 U 1.640e+04 0.00e+00 e 0 1297 946 1299 0 6617 18.803 8.342 1.518 1 U -2.924e+03 0.00e+00 e 0 1309 1290 1308 0 6619 18.803 6.982 1.518 1 U -3.510e+03 0.00e+00 e 0 1309 1379 1308 0 6621 18.803 3.727 1.518 1 U -3.080e+03 0.00e+00 e 0 1309 1317 1308 0 6622 18.803 2.090 1.518 1 U -1.030e+04 0.00e+00 e 0 1309 1296 1308 0 6623 18.803 2.457 1.518 1 U -4.510e+03 0.00e+00 e 0 1309 1259 1308 0 6625 22.068 0.022 0.558 1 U 2.290e+04 0.00e+00 e 0 1322 1925 1320 0 6626 24.767 0.018 1.337 1 U 9.010e+03 0.00e+00 e 0 1326 1925 1321 0 6627 24.767 0.364 1.337 1 U 4.565e+03 0.00e+00 e 0 1326 1926 1321 0 6628 66.729 1.072 3.717 1 U -1.130e+04 0.00e+00 e 0 1316 1846 1317 0 6629 66.729 1.230 3.717 1 U -3.900e+03 0.00e+00 e 0 1316 1908 1317 0 6630 66.729 1.522 3.717 1 U -6.150e+03 0.00e+00 e 0 1316 1308 1317 0 6631 31.475 1.534 2.432 1 U 3.800e+03 0.00e+00 e 0 1318 1308 1319 0 6632 22.068 1.226 0.558 1 U 2.010e+04 0.00e+00 e 0 1322 1908 1320 0 6633 22.068 0.847 0.558 1 U 7.260e+04 0.00e+00 e 0 1322 1845 1320 0 6634 24.767 1.064 1.337 1 U 5.780e+04 0.00e+00 e 0 1326 1846 1321 0 6635 22.068 1.080 0.558 1 U 2.490e+04 0.00e+00 e 0 1322 1846 1320 0 6638 22.068 1.523 0.558 1 U 4.536e+03 0.00e+00 e 0 1322 1308 1320 0 6639 22.068 1.635 0.558 1 U 1.300e+04 0.00e+00 e 0 1322 1924 1320 0 6640 22.068 2.077 0.558 1 U 8.960e+02 0.00e+00 e 0 1322 1338 1320 0 6641 22.068 2.961 0.558 1 U 1.520e+04 0.00e+00 e 0 1322 1388 1320 0 6642 22.068 3.139 0.558 1 U 1.280e+04 0.00e+00 e 0 1322 1387 1320 0 6644 22.068 3.776 0.558 1 U 9.151e+03 0.00e+00 e 0 1322 1271 1320 0 6645 24.767 3.776 1.337 1 U 1.544e+04 0.00e+00 e 0 1326 1271 1321 0 6646 24.767 2.065 1.337 1 U 7.460e+03 0.00e+00 e 0 1326 0 1321 0 6647 24.767 4.176 1.337 1 U 1.840e+04 0.00e+00 e 0 1326 1907 1321 0 6648 22.068 7.490 0.558 1 U 6.120e+03 0.00e+00 e 0 1322 885 1320 0 6649 22.068 7.024 0.558 1 U 8.170e+03 0.00e+00 e 0 1322 889 1320 0 6650 22.068 6.977 0.558 1 U 9.890e+03 0.00e+00 e 0 1322 1379 1320 0 6651 22.068 6.736 0.558 1 U 6.580e+03 0.00e+00 e 0 1322 892 1320 0 6652 24.767 7.024 1.337 1 U 1.909e+04 0.00e+00 e 0 1326 889 1321 0 6653 24.767 6.977 1.337 1 U 6.306e+03 0.00e+00 e 0 1326 1379 1321 0 6654 24.767 6.728 1.337 1 U 2.470e+04 0.00e+00 e 0 1326 892 1321 0 6655 31.475 7.020 2.432 1 U 1.100e+04 0.00e+00 e 0 1318 889 1319 0 6656 31.475 6.740 2.432 1 U 3.080e+03 0.00e+00 e 0 1318 892 1319 0 6658 66.729 8.331 3.717 1 U -1.700e+03 0.00e+00 e 0 1316 1358 1317 0 6659 22.068 9.622 0.558 1 U 7.520e+03 0.00e+00 e 0 1322 1383 1320 0 6660 61.835 8.212 3.781 1 U -1.445e+03 0.00e+00 e 0 1334 1406 1335 0 6662 61.835 1.627 3.781 1 U -7.669e+03 0.00e+00 e 0 1334 828 1335 0 6663 61.835 0.577 3.781 1 U -7.720e+03 0.00e+00 e 0 1334 1320 1335 0 6668 40.026 2.125 2.664 1 U 6.370e+03 0.00e+00 e 0 1361 0 1363 0 6675 38.627 1.059 2.461 1 U 4.990e+03 0.00e+00 e 0 1372 1846 1374 0 6676 38.627 1.063 2.802 1 U 2.790e+03 0.00e+00 e 0 1372 1846 1373 0 6679 38.627 0.660 2.802 1 U 3.350e+03 0.00e+00 e 0 1372 1786 1373 0 6680 38.627 0.664 2.461 1 U 3.640e+03 0.00e+00 e 0 1372 1786 1374 0 6681 130.447 7.447 6.920 1 U -4.290e+03 0.00e+00 e 0 1394 1391 1390 0 6689 130.447 1.630 6.920 1 U -6.620e+03 0.00e+00 e 0 1394 828 1390 0 6690 130.447 0.851 6.920 1 U -2.150e+03 0.00e+00 e 0 1394 1845 1390 0 6691 130.447 0.550 6.920 1 U -1.770e+03 0.00e+00 e 0 1394 1320 1390 0 6692 60.879 1.067 4.057 1 U -5.430e+03 0.00e+00 e 0 1384 1846 1385 0 6693 60.879 0.687 4.057 1 U -3.230e+03 0.00e+00 e 0 1384 1452 1385 0 6699 25.294 8.816 1.028 1 U 9.260e+03 0.00e+00 e 0 1421 777 1416 0 6700 22.147 8.812 0.878 1 U 1.140e+04 0.00e+00 e 0 1417 777 1415 0 6701 22.147 9.629 0.878 1 U 1.180e+03 0.00e+00 e 0 1417 1383 1415 0 6702 27.021 6.927 2.062 1 U 8.700e+03 0.00e+00 e 0 1413 1390 1414 0 6703 22.147 7.464 0.878 1 U 2.560e+04 0.00e+00 e 0 1417 1391 1415 0 6704 22.147 6.923 0.878 1 U 2.750e+04 0.00e+00 e 0 1417 1390 1415 0 6705 25.294 7.468 1.028 1 U 5.670e+03 0.00e+00 e 0 1421 1391 1416 0 6706 25.294 7.345 1.028 1 U 4.570e+03 0.00e+00 e 0 1421 0 1416 0 6707 22.147 7.345 0.878 1 U 3.340e+03 0.00e+00 e 0 1417 0 1415 0 6708 25.294 6.927 1.028 1 U 1.170e+03 0.00e+00 e 0 1421 1390 1416 0 6709 22.147 4.521 0.878 1 U 7.402e+04 0.00e+00 e 0 1417 779 1415 0 6710 25.294 4.517 1.028 1 U 6.349e+04 0.00e+00 e 0 1421 779 1416 0 6712 27.021 3.243 2.062 1 U 8.060e+03 0.00e+00 e 0 1413 0 1414 0 6713 27.021 3.105 2.062 1 U 2.050e+03 0.00e+00 e 0 1413 1387 1414 0 6714 25.294 3.089 1.028 1 U 6.930e+03 0.00e+00 e 0 1421 0 1416 0 6715 25.294 3.002 1.028 1 U 2.240e+04 0.00e+00 e 0 1421 1351 1416 0 6716 25.294 2.900 1.028 1 U 1.920e+04 0.00e+00 e 0 1421 781 1416 0 6717 25.294 2.678 1.028 1 U 2.340e+03 0.00e+00 e 0 1421 0 1416 0 6718 22.147 2.911 0.878 1 U 1.230e+04 0.00e+00 e 0 1417 0 1415 0 6719 22.147 2.698 0.878 1 U 1.030e+04 0.00e+00 e 0 1417 0 1415 0 6720 25.294 3.456 1.028 1 U 2.320e+03 0.00e+00 e 0 1421 717 1416 0 6721 25.294 1.475 1.028 1 U 1.950e+04 0.00e+00 e 0 1421 1341 1416 0 6722 25.294 1.822 1.028 1 U 8.220e+03 0.00e+00 e 0 1421 0 1416 0 6723 22.147 1.637 0.878 1 U 2.440e+04 0.00e+00 e 0 1417 828 1415 0 6726 35.909 6.726 2.307 1 U 4.520e+03 0.00e+00 e 0 755 773 758 0 6728 28.287 1.049 0.702 1 U 2.510e+04 0.00e+00 e 0 1454 1846 1452 0 6729 28.287 1.005 0.702 1 U 1.570e+04 0.00e+00 e 0 1454 1807 1452 0 6733 28.287 8.558 0.702 1 U 6.220e+03 0.00e+00 e 0 1454 335 1452 0 6734 23.421 8.564 0.722 1 U 1.030e+04 0.00e+00 e 0 1458 335 1453 0 6735 23.421 8.655 0.722 1 U 6.480e+03 0.00e+00 e 0 1458 328 1453 0 6736 28.287 7.922 0.702 1 U 2.620e+03 0.00e+00 e 0 1454 1802 1452 0 6737 23.421 7.093 0.722 1 U 6.240e+03 0.00e+00 e 0 1458 1730 1453 0 6738 23.421 6.667 0.722 1 U 7.300e+03 0.00e+00 e 0 1458 1738 1453 0 6739 28.287 3.479 0.702 1 U 2.780e+04 0.00e+00 e 0 1454 1804 1452 0 6740 23.421 3.479 0.722 1 U 1.430e+04 0.00e+00 e 0 1458 1804 1453 0 6741 23.421 4.075 0.722 1 U 5.320e+04 0.00e+00 e 0 1458 280 1453 0 6742 28.287 4.051 0.702 1 U 1.430e+04 0.00e+00 e 0 1454 1385 1452 0 6743 28.287 2.161 0.702 1 U 5.120e+03 0.00e+00 e 0 1454 1844 1452 0 6744 23.421 3.105 0.722 1 U 3.644e+03 0.00e+00 e 0 1458 1467 1453 0 6745 23.421 0.571 0.722 1 U 2.410e+03 0.00e+00 e 0 1458 1795 1453 0 6746 23.421 0.299 0.722 1 U 1.300e+04 0.00e+00 e 0 1458 1470 1453 0 6748 21.189 7.693 0.813 1 U -3.930e+03 0.00e+00 e 0 1476 763 1471 0 6749 21.189 7.499 0.813 1 U -1.800e+04 0.00e+00 e 0 1476 772 1471 0 6750 21.189 6.722 0.813 1 U -9.000e+03 0.00e+00 e 0 1476 773 1471 0 6751 21.189 6.394 0.813 1 U -1.566e+03 0.00e+00 e 0 1476 1540 1471 0 6752 21.189 6.153 0.813 1 U -2.314e+04 0.00e+00 e 0 1476 1541 1471 0 6753 67.214 6.153 3.101 1 U -3.063e+03 0.00e+00 e 0 1466 1541 1467 0 6754 22.031 7.476 0.289 1 U 1.860e+04 0.00e+00 e 0 1472 772 1470 0 6755 22.031 7.176 0.289 1 U 1.710e+03 0.00e+00 e 0 1472 1399 1470 0 6756 22.031 6.718 0.289 1 U 2.470e+03 0.00e+00 e 0 1472 773 1470 0 6757 21.189 3.901 0.813 1 U -6.197e+03 0.00e+00 e 0 1476 1408 1471 0 6758 21.189 3.994 0.813 1 U -5.180e+03 0.00e+00 e 0 1476 1529 1471 0 6759 21.189 3.456 0.813 1 U -1.120e+04 0.00e+00 e 0 1476 717 1471 0 6761 22.031 3.902 0.289 1 U 5.393e+03 0.00e+00 e 0 1472 1408 1470 0 6762 22.031 2.710 0.289 1 U 1.400e+04 0.00e+00 e 0 1472 767 1470 0 6763 21.189 2.710 0.813 1 U -1.260e+04 0.00e+00 e 0 1476 767 1471 0 6764 21.189 2.150 0.813 1 U -1.446e+03 0.00e+00 e 0 1476 719 1471 0 6765 21.189 2.059 0.813 1 U -4.970e+03 0.00e+00 e 0 1476 0 1471 0 6766 21.189 1.569 0.813 1 U -3.810e+03 0.00e+00 e 0 1476 0 1471 0 6767 21.189 1.309 0.813 1 U -2.780e+04 0.00e+00 e 0 1476 708 1471 0 6768 22.031 1.581 0.289 1 U 4.130e+03 0.00e+00 e 0 1472 0 1470 0 6769 22.031 1.242 0.289 1 U 4.010e+03 0.00e+00 e 0 1472 265 1470 0 6770 22.031 2.284 0.289 1 U 2.600e+03 0.00e+00 e 0 1472 264 1470 0 6771 67.214 0.765 3.101 1 U 0.000e+00 0.00e+00 - 0 1466 657 1467 0 6772 22.031 0.759 0.289 1 U 1.700e+03 0.00e+00 e 0 1472 0 1470 0 6773 25.741 7.677 1.006 1 U 2.397e+03 0.00e+00 e 0 1498 1428 1493 0 6774 25.741 7.002 1.006 1 U 3.037e+03 0.00e+00 e 0 1498 0 1493 0 6775 23.092 6.986 0.926 1 U 2.408e+03 0.00e+00 e 0 1494 0 1492 0 6776 25.741 4.153 1.006 1 U 3.120e+03 0.00e+00 e 0 1498 1430 1493 0 6777 25.741 1.514 1.006 1 U 2.160e+04 0.00e+00 e 0 1498 0 1493 0 6785 34.096 7.543 2.373 1 U 1.010e+04 0.00e+00 e 0 1512 1518 1515 0 6786 34.096 6.828 2.373 1 U 5.790e+03 0.00e+00 e 0 1512 1519 1515 0 6799 34.096 2.063 2.373 1 U 6.500e+04 0.00e+00 e 0 1512 0 1515 0 6800 34.096 1.589 2.373 1 U 7.970e+03 0.00e+00 e 0 1512 0 1515 0 6807 133.541 4.639 7.431 1 U -4.128e+03 0.00e+00 e 0 546 537 542 0 6810 133.541 0.928 7.431 1 U -3.357e+03 0.00e+00 e 0 546 635 542 0 6815 117.435 4.322 6.984 1 U -1.570e+03 0.00e+00 e 0 548 0 543 0 6817 117.435 2.764 6.984 1 U -3.400e+03 0.00e+00 e 0 548 541 543 0 6820 20.208 8.351 0.854 1 U -1.700e+04 0.00e+00 e 0 1567 1591 1562 0 6821 21.734 8.351 0.911 1 U 7.290e+03 0.00e+00 e 0 1563 1591 1561 0 6822 21.734 7.341 0.911 1 U 2.450e+03 0.00e+00 e 0 1563 1533 1561 0 6823 21.734 6.955 0.911 1 U 2.263e+03 0.00e+00 e 0 1563 1587 1561 0 6824 20.208 7.322 0.854 1 U -2.898e+03 0.00e+00 e 0 1567 1533 1562 0 6825 20.208 7.026 0.854 1 U -5.290e+03 0.00e+00 e 0 1567 577 1562 0 6826 20.208 6.939 0.854 1 U -2.789e+03 0.00e+00 e 0 1567 1587 1562 0 6829 20.208 4.189 0.854 1 U -4.670e+04 0.00e+00 e 0 1567 1507 1562 0 6830 20.208 1.538 0.854 1 U -1.273e+04 0.00e+00 e 0 1567 1491 1562 0 6831 20.208 1.623 0.854 1 U -3.830e+03 0.00e+00 e 0 1567 1488 1562 0 6832 20.208 3.282 0.854 1 U -7.650e+03 0.00e+00 e 0 1567 1597 1562 0 6833 21.734 3.271 0.911 1 U 7.190e+03 0.00e+00 e 0 1563 1597 1561 0 6834 21.734 2.746 0.911 1 U 4.890e+03 0.00e+00 e 0 1563 1538 1561 0 6836 117.581 8.601 6.965 1 U -2.080e+03 0.00e+00 e 0 1583 1574 1587 0 6843 55.959 0.865 4.283 1 U -7.840e+03 0.00e+00 e 0 1575 1562 1576 0 6846 31.941 7.001 3.276 1 U 1.890e+03 0.00e+00 e 0 1594 0 1597 0 6851 31.941 0.857 3.276 1 U 7.610e+03 0.00e+00 e 0 1594 1562 1597 0 6852 118.585 0.871 6.885 1 U -2.560e+03 0.00e+00 e 0 1600 1622 1604 0 6854 118.585 1.036 6.885 1 U -1.740e+03 0.00e+00 e 0 1600 1613 1604 0 6856 14.080 8.247 0.886 1 U -2.890e+03 0.00e+00 e 0 1623 1722 1622 0 6857 14.080 7.099 0.886 1 U -3.390e+03 0.00e+00 e 0 1623 1730 1622 0 6858 14.080 6.449 0.886 1 U -2.620e+04 0.00e+00 e 0 1623 1729 1622 0 6859 17.656 7.656 1.044 1 U -3.790e+03 0.00e+00 e 0 1614 0 1613 0 6860 17.656 6.990 1.044 1 U -7.240e+03 0.00e+00 e 0 1614 1629 1613 0 6861 17.656 6.896 1.044 1 U -3.550e+03 0.00e+00 e 0 1614 1604 1613 0 6862 17.656 6.453 1.044 1 U -6.630e+03 0.00e+00 e 0 1614 1729 1613 0 6863 14.080 3.464 0.886 1 U -1.720e+04 0.00e+00 e 0 1623 1724 1622 0 6864 14.080 3.030 0.886 1 U -2.930e+03 0.00e+00 e 0 1623 0 1622 0 6865 14.080 2.951 0.886 1 U -3.390e+03 0.00e+00 e 0 1623 0 1622 0 6866 14.080 2.407 0.886 1 U -2.040e+04 0.00e+00 e 0 1623 1510 1622 0 6867 14.080 2.230 0.886 1 U -1.090e+04 0.00e+00 e 0 1623 1509 1622 0 6868 14.080 1.635 0.886 1 U -9.230e+03 0.00e+00 e 0 1623 0 1622 0 6869 17.656 2.222 1.044 1 U -9.492e+03 0.00e+00 r 0 1614 1509 1613 0 6870 17.656 2.352 1.044 1 U -7.211e+03 0.00e+00 r 0 1614 1515 1613 0 6871 17.656 2.416 1.044 1 U -9.906e+03 0.00e+00 r 0 1614 1510 1613 0 6872 17.656 2.936 1.044 1 U -4.590e+03 0.00e+00 e 0 1614 0 1613 0 6873 17.656 3.010 1.044 1 U -8.040e+03 0.00e+00 e 0 1614 0 1613 0 6874 17.656 3.288 1.044 1 U -7.460e+03 0.00e+00 e 0 1614 1597 1613 0 6875 14.080 0.570 0.886 1 U -2.940e+04 0.00e+00 e 0 1623 1795 1622 0 6877 62.678 1.059 3.449 1 U -3.090e+03 0.00e+00 e 0 1723 1792 1724 0 6878 62.678 0.883 3.449 1 U -5.630e+03 0.00e+00 e 0 1723 1622 1724 0 6879 62.678 0.566 3.449 1 U -3.450e+03 0.00e+00 e 0 1723 1795 1724 0 6883 130.184 0.877 6.448 1 U -2.750e+03 0.00e+00 e 0 1733 1622 1729 0 6887 128.209 0.724 6.668 1 U -5.030e+03 0.00e+00 e 0 1737 1453 1738 0 6891 57.303 2.482 4.294 1 U -3.670e+03 0.00e+00 e 0 1771 1824 1772 0 6892 57.303 2.179 4.294 1 U -4.530e+03 0.00e+00 e 0 1771 0 1772 0 6894 13.350 8.102 0.566 1 U -6.030e+03 0.00e+00 e 0 1796 1443 1795 0 6895 17.617 8.114 0.657 1 U -8.640e+03 0.00e+00 e 0 1787 1443 1786 0 6896 17.617 7.671 0.657 1 U -7.380e+02 0.00e+00 e 0 1787 0 1786 0 6897 17.617 3.608 0.657 1 U -4.010e+03 0.00e+00 e 0 1787 1445 1786 0 6898 17.617 3.976 0.657 1 U -7.140e+03 0.00e+00 e 0 1787 1836 1786 0 6899 17.617 3.455 0.657 1 U -6.050e+03 0.00e+00 e 0 1787 1724 1786 0 6900 13.350 3.610 0.566 1 U -3.740e+03 0.00e+00 e 0 1796 1445 1795 0 6901 13.350 3.447 0.566 1 U -5.670e+03 0.00e+00 e 0 1796 1724 1795 0 6902 17.617 4.096 0.657 1 U -3.790e+03 0.00e+00 e 0 1787 1806 1786 0 6903 17.617 4.547 0.657 1 U -5.340e+03 0.00e+00 e 0 1787 1371 1786 0 6904 27.430 3.455 1.374 1 U 2.110e+03 0.00e+00 e 0 1791 1724 1793 0 6905 27.430 3.455 1.065 1 U 2.970e+03 0.00e+00 e 0 1791 1724 1792 0 6906 13.350 2.307 0.566 1 U -6.680e+03 0.00e+00 e 0 1796 1438 1795 0 6907 13.350 2.086 0.566 1 U -3.660e+04 0.00e+00 e 0 1796 1434 1795 0 6908 13.350 2.187 0.566 1 U -3.890e+03 0.00e+00 e 0 1796 1726 1795 0 6909 13.350 1.946 0.566 1 U -2.590e+03 0.00e+00 e 0 1796 1612 1795 0 6910 17.617 1.778 0.657 1 U -6.440e+03 0.00e+00 e 0 1787 1448 1786 0 6911 17.617 2.016 0.657 1 U -2.350e+04 0.00e+00 e 0 1787 0 1786 0 6912 17.617 2.101 0.657 1 U -8.030e+03 0.00e+00 e 0 1787 1434 1786 0 6913 17.617 2.194 0.657 1 U -6.480e+03 0.00e+00 e 0 1787 0 1786 0 6914 17.617 2.455 0.657 1 U -2.120e+04 0.00e+00 e 0 1787 1374 1786 0 6915 17.617 2.810 0.657 1 U -9.430e+03 0.00e+00 e 0 1787 1373 1786 0 6916 13.350 0.884 0.566 1 U -1.650e+04 0.00e+00 e 0 1796 1622 1795 0 6917 27.430 0.872 1.065 1 U 1.480e+03 0.00e+00 e 0 1791 1622 1792 0 6918 37.674 0.874 1.548 1 U 1.650e+03 0.00e+00 e 0 1784 1622 1785 0 6919 67.331 0.701 3.476 1 U -2.600e+04 0.00e+00 e 0 1803 1452 1804 0 6920 21.078 1.700 1.004 1 U -4.220e+04 0.00e+00 e 0 1809 338 1807 0 6924 67.668 3.264 4.090 1 U -6.740e+03 0.00e+00 e 0 1805 1808 1806 0 6925 21.078 3.264 1.004 1 U -7.280e+03 0.00e+00 e 0 1809 1808 1807 0 6927 21.078 8.542 1.004 1 U -4.067e+03 0.00e+00 e 0 1809 335 1807 0 6929 59.484 0.977 3.919 1 U -4.880e+03 0.00e+00 e 0 1816 1867 1817 0 6931 62.699 8.460 3.961 1 U -4.630e+03 0.00e+00 e 0 1833 1815 1836 0 6932 24.452 8.509 1.062 1 U 1.973e+03 0.00e+00 e 0 1851 1916 1846 0 6933 22.003 8.509 0.848 1 U 4.825e+03 0.00e+00 e 0 1847 1916 1845 0 6934 24.452 8.048 1.062 1 U 2.590e+03 0.00e+00 e 0 1851 0 1846 0 6935 24.452 7.830 1.062 1 U 2.470e+03 0.00e+00 e 0 1851 1830 1846 0 6936 24.452 7.698 1.062 1 U 4.270e+03 0.00e+00 e 0 1851 1369 1846 0 6937 24.452 6.912 1.062 1 U 5.520e+03 0.00e+00 e 0 1851 1390 1846 0 6938 24.452 4.069 1.062 1 U 3.602e+04 0.00e+00 e 0 1851 1385 1846 0 6939 22.003 4.073 0.848 1 U 1.890e+04 0.00e+00 e 0 1847 1385 1845 0 6941 24.452 3.470 1.062 1 U 7.740e+03 0.00e+00 e 0 1851 1804 1846 0 6942 22.003 3.482 0.848 1 U 5.880e+03 0.00e+00 e 0 1847 1804 1845 0 6943 24.452 2.459 1.062 1 U 2.930e+04 0.00e+00 e 0 1851 1374 1846 0 6944 24.452 2.813 1.062 1 U 1.920e+04 0.00e+00 e 0 1851 1373 1846 0 6945 24.452 2.959 1.062 1 U 1.060e+04 0.00e+00 e 0 1851 1388 1846 0 6946 22.003 2.953 0.848 1 U 1.290e+04 0.00e+00 e 0 1847 1388 1845 0 6947 22.003 2.793 0.848 1 U 1.240e+04 0.00e+00 e 0 1847 1373 1845 0 6948 66.294 1.331 3.693 1 U -1.460e+04 0.00e+00 e 0 1841 1321 1842 0 6949 24.452 1.716 1.062 1 U 7.030e+03 0.00e+00 e 0 1851 0 1846 0 6950 24.452 1.568 1.062 1 U 1.296e+04 0.00e+00 e 0 1851 1447 1846 0 6953 66.294 0.965 3.693 1 U -2.490e+03 0.00e+00 e 0 1841 0 1842 0 6954 24.452 0.705 1.062 1 U 2.798e+04 0.00e+00 e 0 1851 1452 1846 0 6955 24.452 0.561 1.062 1 U 2.820e+04 0.00e+00 e 0 1851 1320 1846 0 6956 22.003 0.707 0.848 1 U 2.902e+04 0.00e+00 e 0 1847 1452 1845 0 6957 22.003 0.557 0.848 1 U 4.490e+04 0.00e+00 e 0 1847 1320 1845 0 6958 22.003 0.351 0.848 1 U 6.580e+04 0.00e+00 e 0 1847 1926 1845 0 6959 22.003 0.020 0.848 1 U 1.070e+04 0.00e+00 e 0 1847 1925 1845 0 6960 24.305 8.840 0.986 1 U 4.370e+03 0.00e+00 e 0 1869 288 1867 0 6961 25.708 8.828 0.874 1 U 2.820e+03 0.00e+00 e 0 1873 0 1868 0 6962 24.305 7.686 0.986 1 U 4.520e+03 0.00e+00 e 0 1869 0 1867 0 6963 24.305 6.947 0.986 1 U 3.100e+03 0.00e+00 e 0 1869 1951 1867 0 6964 25.708 6.932 0.874 1 U 1.570e+03 0.00e+00 e 0 1873 1951 1868 0 6965 24.305 3.925 0.986 1 U 5.870e+03 0.00e+00 e 0 1869 1817 1867 0 6966 25.708 3.929 0.874 1 U 6.330e+03 0.00e+00 e 0 1873 1817 1868 0 6967 24.305 3.268 0.986 1 U 1.750e+04 0.00e+00 e 0 1869 226 1867 0 6968 24.305 2.677 0.986 1 U 6.740e+03 0.00e+00 e 0 1869 297 1867 0 6969 24.305 2.140 0.986 1 U 1.490e+04 0.00e+00 e 0 1869 296 1867 0 6970 25.708 2.132 0.874 1 U 2.080e+04 0.00e+00 e 0 1873 296 1868 0 6971 25.708 2.684 0.874 1 U 6.610e+03 0.00e+00 e 0 1873 297 1868 0 6972 25.708 3.256 0.874 1 U 4.610e+02 0.00e+00 e 0 1873 226 1868 0 6974 25.708 0.362 0.874 1 U 5.870e+03 0.00e+00 e 0 1873 1926 1868 0 6975 25.708 0.211 0.874 1 U 2.550e+03 0.00e+00 e 0 1873 238 1868 0 6976 24.305 0.351 0.986 1 U 3.070e+04 0.00e+00 e 0 1869 1926 1867 0 6977 24.305 0.215 0.986 1 U 9.340e+03 0.00e+00 e 0 1869 238 1867 0 6979 117.378 4.172 6.810 1 U -1.730e+03 0.00e+00 e 0 1893 1882 1888 0 6980 132.681 3.858 7.130 1 U -2.380e+03 0.00e+00 e 0 1891 1905 1887 0 6983 66.785 7.138 3.857 1 U -4.280e+03 0.00e+00 e 0 1904 1887 1905 0 6984 67.842 1.339 4.176 1 U -3.840e+03 0.00e+00 e 0 1906 1321 1907 0 6987 23.012 0.563 1.226 1 U 9.649e+03 0.00e+00 e 0 1910 1283 1908 0 6988 22.410 8.301 0.018 1 U 8.250e+02 0.00e+00 e 0 1927 1965 1925 0 6989 22.410 8.044 0.018 1 U 3.430e+03 0.00e+00 e 0 1927 224 1925 0 6990 26.618 8.044 0.370 1 U 3.910e+03 0.00e+00 e 0 1931 224 1926 0 6991 22.410 6.978 0.018 1 U 1.340e+04 0.00e+00 e 0 1927 891 1925 0 6992 22.410 6.737 0.018 1 U 4.950e+03 0.00e+00 e 0 1927 892 1925 0 6993 26.545 3.762 1.628 1 U 8.340e+03 0.00e+00 e 0 1923 0 1924 0 6994 22.410 3.563 0.018 1 U 5.000e+03 0.00e+00 e 0 1927 162 1925 0 6995 26.618 3.707 0.370 1 U 3.870e+03 0.00e+00 e 0 1931 208 1926 0 6996 26.618 3.268 0.370 1 U 5.480e+03 0.00e+00 e 0 1931 226 1926 0 6997 26.618 1.463 0.370 1 U 1.010e+04 0.00e+00 e 0 1931 281 1926 0 6998 26.618 1.211 0.370 1 U 2.050e+04 0.00e+00 e 0 1931 165 1926 0 6999 22.410 1.331 0.018 1 U 1.220e+04 0.00e+00 e 0 1927 1321 1925 0 7000 22.410 1.207 0.018 1 U 6.280e+04 0.00e+00 e 0 1927 165 1925 0 7002 58.532 1.202 3.900 1 U -6.600e+03 0.00e+00 e 0 1917 1971 1918 0 7003 22.410 0.553 0.018 1 U 7.090e+03 0.00e+00 e 0 1927 1320 1925 0 7004 26.618 0.569 0.370 1 U 3.240e+03 0.00e+00 e 0 1931 1320 1926 0 7008 60.888 1.500 4.002 1 U -4.930e+03 0.00e+00 e 0 1939 1997 1940 0 7009 60.888 0.215 4.002 1 U -7.100e+03 0.00e+00 e 0 1939 238 1940 0 7011 17.605 7.126 1.396 1 U -8.060e+03 0.00e+00 e 0 1959 1160 1958 0 7012 17.605 6.821 1.396 1 U -4.130e+03 0.00e+00 e 0 1959 1888 1958 0 7013 17.605 6.940 1.396 1 U -2.560e+03 0.00e+00 e 0 1959 1176 1958 0 7014 17.605 3.433 1.396 1 U -5.280e+03 0.00e+00 e 0 1959 1158 1958 0 7015 17.605 2.812 1.396 1 U -4.020e+03 0.00e+00 e 0 1959 1157 1958 0 7016 17.605 2.526 1.396 1 U -2.290e+03 0.00e+00 e 0 1959 1969 1958 0 7017 17.605 2.152 1.396 1 U -3.000e+03 0.00e+00 e 0 1959 2012 1958 0 7018 17.605 2.090 1.396 1 U -3.420e+03 0.00e+00 e 0 1959 0 1958 0 7019 17.605 1.820 1.396 1 U -2.160e+04 0.00e+00 e 0 1959 1180 1958 0 7020 17.605 1.689 1.396 1 U -9.470e+03 0.00e+00 e 0 1959 0 1958 0 7025 17.605 0.973 1.396 1 U -4.110e+04 0.00e+00 e 0 1959 1182 1958 0 7026 17.605 0.780 1.396 1 U -2.180e+04 0.00e+00 e 0 1959 1181 1958 0 7028 17.605 1.201 1.396 1 U -3.010e+04 0.00e+00 e 0 1959 1971 1958 0 7029 20.708 9.825 0.979 1 U -1.660e+04 0.00e+00 e 0 1972 888 1970 0 7031 20.708 6.987 0.979 1 U -3.930e+04 0.00e+00 e 0 1972 891 1970 0 7032 20.708 6.743 0.979 1 U -4.980e+03 0.00e+00 e 0 1972 892 1970 0 7033 24.742 6.987 1.201 1 U 5.220e+04 0.00e+00 e 0 1976 891 1971 0 7034 24.742 6.863 1.201 1 U 4.730e+03 0.00e+00 e 0 1976 0 1971 0 7035 24.742 6.728 1.201 1 U 1.800e+04 0.00e+00 e 0 1976 892 1971 0 7036 31.012 6.983 2.519 1 U 2.100e+03 0.00e+00 e 0 1968 891 1969 0 7038 24.742 3.886 1.201 1 U 1.320e+04 0.00e+00 e 0 1976 1918 1971 0 7039 20.708 3.894 0.979 1 U -5.600e+03 0.00e+00 e 0 1972 1918 1970 0 7040 20.708 3.801 0.979 1 U -7.930e+03 0.00e+00 e 0 1972 1985 1970 0 7041 24.742 3.786 1.201 1 U 5.621e+03 0.00e+00 e 0 1976 1271 1971 0 7042 24.742 4.106 1.201 1 U 2.010e+03 0.00e+00 e 0 1976 0 1971 0 7043 20.708 5.210 0.979 1 U -2.670e+03 0.00e+00 e 0 1972 166 1970 0 7044 24.742 2.055 1.201 1 U 1.240e+04 0.00e+00 e 0 1976 0 1971 0 7045 24.742 1.821 1.201 1 U 1.090e+04 0.00e+00 e 0 1976 1180 1971 0 7046 20.708 2.437 0.979 1 U -7.900e+03 0.00e+00 e 0 1972 0 1970 0 7047 20.708 2.071 0.979 1 U -4.335e+03 0.00e+00 e 0 1972 1988 1970 0 7048 20.708 1.920 0.979 1 U -1.670e+04 0.00e+00 e 0 1972 2046 1970 0 7049 20.708 1.341 0.979 1 U -2.020e+04 0.00e+00 e 0 1972 1280 1970 0 7051 24.742 2.437 1.201 1 U 9.010e+03 0.00e+00 e 0 1976 0 1971 0 7052 24.742 0.777 1.201 1 U 8.050e+04 0.00e+00 e 0 1976 1181 1971 0 7053 24.742 0.560 1.201 1 U 5.680e+04 0.00e+00 e 0 1976 1283 1971 0 7054 24.742 0.344 1.201 1 U 2.720e+04 0.00e+00 e 0 1976 930 1971 0 7055 24.742 0.009 1.201 1 U 4.870e+03 0.00e+00 e 0 1976 1925 1971 0 7056 20.708 0.757 0.979 1 U -1.130e+05 0.00e+00 e 0 1972 2048 1970 0 7057 20.708 0.580 0.979 1 U -2.077e+04 0.00e+00 e 0 1972 92 1970 0 7058 20.708 0.352 0.979 1 U -2.660e+04 0.00e+00 e 0 1972 930 1970 0 7059 20.708 0.020 0.979 1 U -4.460e+03 0.00e+00 e 0 1972 1925 1970 0 7062 24.742 1.321 1.201 1 U 1.590e+05 0.00e+00 e 0 1976 1280 1971 0 7063 31.012 0.009 2.519 1 U 1.380e+03 0.00e+00 e 0 1968 1925 1969 0 7064 25.209 3.998 1.334 1 U 1.480e+03 0.00e+00 e 0 1990 1940 1991 0 7065 25.209 2.874 1.497 1 U 5.160e+03 0.00e+00 e 0 1990 2001 1992 0 7066 25.209 2.877 1.334 1 U 3.880e+03 0.00e+00 e 0 1990 2001 1991 0 7067 29.520 2.877 1.489 1 U 9.070e+03 0.00e+00 e 0 1994 2001 1997 0 7068 41.299 2.889 2.882 1 U 1.190e+06 0.00e+00 e 0 1998 2001 2001 0 7069 41.299 3.804 2.882 1 U 3.460e+03 0.00e+00 e 0 1998 1985 2001 0 7070 41.299 3.997 2.882 1 U 3.110e+03 0.00e+00 e 0 1998 1940 2001 0 7071 41.299 2.055 2.882 1 U 4.260e+04 0.00e+00 e 0 1998 1988 2001 0 7072 41.299 1.804 2.882 1 U 8.180e+03 0.00e+00 e 0 1998 1987 2001 0 7073 41.299 1.500 2.882 1 U 1.300e+05 0.00e+00 e 0 1998 1997 2001 0 7074 41.299 1.337 2.882 1 U 3.000e+04 0.00e+00 e 0 1998 1991 2001 0 7075 41.299 8.218 2.879 1 U 1.780e+03 0.00e+00 e 0 1998 1983 2001 0 7076 60.763 1.205 3.812 1 U -3.962e+03 0.00e+00 e 0 1984 165 1985 0 7077 60.763 0.957 3.812 1 U -1.273e+04 0.00e+00 e 0 1984 2039 1985 0 7078 60.763 0.750 3.812 1 U -1.206e+04 0.00e+00 e 0 1984 2048 1985 0 7079 41.299 0.958 2.882 1 U 3.730e+04 0.00e+00 e 0 1998 115 2001 0 7080 41.299 0.209 2.882 1 U 2.210e+04 0.00e+00 e 0 1998 238 2001 0 7081 25.209 1.213 1.497 1 U 1.580e+04 0.00e+00 e 0 1990 165 1992 0 7082 25.209 0.970 1.497 1 U 1.150e+04 0.00e+00 e 0 1990 115 1992 0 7083 25.209 0.202 1.497 1 U 7.620e+03 0.00e+00 e 0 1990 238 1992 0 7084 29.520 1.213 1.489 1 U 1.340e+04 0.00e+00 e 0 1994 165 1997 0 7085 29.520 0.966 1.489 1 U 1.460e+04 0.00e+00 e 0 1994 115 1997 0 7086 25.209 1.207 1.334 1 U 7.707e+03 0.00e+00 e 0 1990 165 1991 0 7087 25.209 0.950 1.334 1 U 2.330e+04 0.00e+00 e 0 1990 115 1991 0 7088 31.509 1.213 2.049 1 U 4.680e+03 0.00e+00 e 0 1986 165 1988 0 7089 31.509 0.950 2.049 1 U 5.060e+03 0.00e+00 e 0 1986 115 1988 0 7090 31.509 1.201 1.805 1 U 1.080e+04 0.00e+00 e 0 1986 165 1987 0 7091 31.509 0.958 1.805 1 U 9.620e+03 0.00e+00 e 0 1986 115 1987 0 7092 29.520 0.213 1.489 1 U 7.960e+03 0.00e+00 e 0 1994 238 1997 0 7094 56.808 2.376 4.299 1 U -4.030e+03 0.00e+00 e 0 2009 0 2010 0 7100 58.432 1.353 4.056 1 U -4.524e+03 0.00e+00 e 0 2020 1140 2021 0 7103 17.550 8.481 0.953 1 U -2.410e+03 0.00e+00 e 0 2040 160 2039 0 7104 14.358 8.483 0.739 1 U -4.110e+03 0.00e+00 e 0 2049 160 2048 0 7105 17.550 3.818 0.953 1 U -1.561e+04 0.00e+00 e 0 2040 1985 2039 0 7106 17.550 3.960 0.953 1 U -7.380e+03 0.00e+00 e 0 2040 107 2039 0 7107 17.550 4.260 0.953 1 U -1.508e+04 0.00e+00 e 0 2040 2057 2039 0 7108 14.358 3.814 0.739 1 U -2.286e+04 0.00e+00 e 0 2049 1985 2048 0 7109 14.358 3.956 0.739 1 U -2.500e+04 0.00e+00 e 0 2049 107 2048 0 7110 14.358 4.511 0.739 1 U -3.650e+03 0.00e+00 e 0 2049 164 2048 0 7111 14.358 5.208 0.739 1 U -3.450e+03 0.00e+00 e 0 2049 166 2048 0 7112 17.550 2.109 0.953 1 U -7.260e+03 0.00e+00 e 0 2040 2097 2039 0 7113 17.550 1.641 0.953 1 U -3.620e+04 0.00e+00 e 0 2040 109 2039 0 7114 17.550 1.495 0.953 1 U -2.560e+04 0.00e+00 e 0 2040 2058 2039 0 7115 14.358 1.793 0.739 1 U -1.119e+04 0.00e+00 e 0 2049 1987 2048 0 7116 14.358 1.640 0.739 1 U -1.087e+04 0.00e+00 e 0 2049 109 2048 0 7117 14.358 1.364 0.739 1 U -3.330e+04 0.00e+00 e 0 2049 91 2048 0 7118 14.358 1.506 0.739 1 U -1.110e+04 0.00e+00 e 0 2049 1992 2048 0 7119 17.550 1.353 0.953 1 U -1.940e+04 0.00e+00 e 0 2040 91 2039 0 7121 18.663 8.371 1.505 1 U -2.799e+03 0.00e+00 e 0 2059 2034 2058 0 7122 52.894 0.957 4.249 1 U -1.560e+04 0.00e+00 e 0 2056 2039 2057 0 7125 18.663 0.964 1.505 1 U -1.420e+04 0.00e+00 e 0 2059 115 2058 0 7127 13.963 4.920 0.700 1 U -8.715e+03 0.00e+00 e 0 1011 1196 1010 0 7128 22.917 6.723 1.237 1 U 1.124e+04 0.00e+00 e 0 267 773 265 0 7129 55.959 6.230 4.283 1 U 0.000e+00 0.00e+00 - 0 1575 390 1576 0 7130 29.169 4.192 2.306 1 U 7.798e+03 0.00e+00 e 0 130 0 132 0 7131 17.582 0.591 2.002 1 U -8.145e+03 0.00e+00 e 0 154 92 153 0 7132 58.000 4.226 4.226 1 U -6.259e+04 0.00e+00 e 0 84 85 85 0 7133 58.000 2.009 4.226 1 U -1.895e+04 0.00e+00 e 0 84 153 85 0 7134 58.000 0.660 4.226 1 U -9.183e+03 0.00e+00 e 0 84 93 85 0 7135 58.000 0.591 4.226 1 U -2.257e+03 0.00e+00 e 0 84 92 85 0 7136 23.866 0.660 0.660 1 U 5.037e+05 0.00e+00 e 0 98 93 93 0 7137 23.866 0.342 0.660 1 U 1.634e+04 0.00e+00 e 0 98 930 93 0 7138 23.866 0.591 0.660 1 U 5.330e+04 0.00e+00 e 0 98 92 93 0 7139 23.866 2.003 0.660 1 U 2.594e+04 0.00e+00 e 0 98 153 93 0 7141 23.866 3.477 0.660 1 U 1.200e+04 0.00e+00 e 0 98 922 93 0 7142 23.866 3.632 0.660 1 U 7.237e+03 0.00e+00 e 0 98 929 93 0 7143 23.866 3.838 0.660 1 U 2.954e+04 0.00e+00 e 0 98 923 93 0 7144 23.866 4.226 0.660 1 U 2.801e+04 0.00e+00 e 0 98 85 93 0 7145 23.866 5.212 0.660 1 U 3.016e+03 0.00e+00 e 0 98 166 93 0 7146 23.866 6.769 0.660 1 U 0.000e+00 0.00e+00 - 0 98 884 93 0 7147 23.866 8.478 0.660 1 U 3.486e+03 0.00e+00 e 0 98 160 93 0 7148 23.866 8.964 0.660 1 U 2.280e+03 0.00e+00 e 0 98 105 93 0 7149 23.866 9.822 0.660 1 U 5.577e+03 0.00e+00 e 0 98 888 93 0 7150 23.866 7.658 0.660 1 U 0.000e+00 0.00e+00 - 0 98 920 93 0 7151 26.548 1.370 1.369 1 U 1.596e+04 0.00e+00 e 0 90 91 91 0 7152 26.548 0.591 1.369 1 U 2.142e+04 0.00e+00 e 0 90 92 91 0 7153 26.548 0.660 1.369 1 U 8.576e+03 0.00e+00 e 0 90 93 91 0 7154 26.548 4.226 1.369 1 U 1.262e+03 0.00e+00 e 0 90 85 91 0 7155 23.866 1.364 0.660 1 U 2.006e+04 0.00e+00 e 0 98 91 93 0 7156 26.548 1.370 0.583 1 U 2.523e+04 0.00e+00 e 0 94 91 92 0 7157 40.852 1.787 1.793 1 U 2.012e+04 0.00e+00 e 0 86 88 88 0 7158 40.852 1.442 1.793 1 U 6.011e+03 0.00e+00 e 0 86 87 88 0 7159 40.852 1.442 1.437 1 U 3.205e+03 0.00e+00 e 0 86 87 87 0 7160 40.852 0.660 1.437 1 U 3.944e+03 0.00e+00 e 0 86 93 87 0 7161 40.852 0.575 1.437 1 U 3.245e+03 0.00e+00 e 0 86 92 87 0 7162 40.852 0.575 1.793 1 U 6.270e+03 0.00e+00 e 0 86 92 88 0 7163 40.852 1.798 1.437 1 U 6.066e+03 0.00e+00 e 0 86 88 87 0 7164 40.852 1.927 1.437 1 U 9.910e+02 0.00e+00 e 0 86 2046 87 0 7165 23.866 1.442 0.660 1 U 1.543e+04 0.00e+00 e 0 98 87 93 0 7166 23.866 1.793 0.660 1 U 6.423e+03 0.00e+00 e 0 98 88 93 0 7167 40.852 4.226 1.793 1 U 9.960e+02 0.00e+00 e 0 86 85 88 0 7168 40.852 4.226 1.437 1 U 1.787e+03 0.00e+00 e 0 86 85 87 0 7169 58.000 1.442 4.226 1 U -4.203e+03 0.00e+00 e 0 84 87 85 0 7170 58.000 1.793 4.226 1 U -3.088e+03 0.00e+00 e 0 84 88 85 0 7171 17.582 0.865 2.002 1 U -9.184e+03 0.00e+00 e 0 154 0 153 0 7172 17.582 1.343 2.002 1 U -2.113e+04 0.00e+00 e 0 154 0 153 0 7173 67.205 9.827 3.552 1 U -5.022e+03 0.00e+00 e 0 161 888 162 0 7174 22.622 0.361 1.203 1 U 6.754e+03 0.00e+00 e 0 167 1926 165 0 7175 26.548 0.660 0.583 1 U 3.895e+04 0.00e+00 e 0 94 93 92 0 7177 14.191 8.624 0.304 1 U -1.084e+03 0.00e+00 e 0 218 825 217 0 7179 22.917 7.459 1.237 1 U 5.973e+03 0.00e+00 e 0 267 1391 265 0 7181 17.696 6.981 1.453 1 U -2.497e+03 0.00e+00 e 0 282 0 281 0 7182 17.283 2.727 1.682 1 U -1.365e+03 0.00e+00 e 0 339 351 338 0 7184 21.189 0.934 0.813 1 U 0.000e+00 0.00e+00 - 0 1476 0 1471 0 7185 13.555 7.328 0.765 1 U -2.314e+03 0.00e+00 e 0 658 1533 657 0 7186 16.610 0.926 0.507 1 U -3.367e+04 0.00e+00 e 0 649 1492 648 0 7187 13.555 0.922 0.765 1 U -1.913e+04 0.00e+00 e 0 658 1492 657 0 7188 23.092 0.507 0.926 1 U 3.237e+04 0.00e+00 e 0 1494 648 1492 0 7189 22.782 0.507 0.906 1 U 3.072e+04 0.00e+00 e 0 722 648 720 0 7190 29.698 7.436 1.596 1 U 9.218e+03 0.00e+00 e 0 667 599 670 0 7191 29.698 7.023 1.596 1 U 5.423e+03 0.00e+00 e 0 667 577 670 0 7192 29.698 7.122 1.596 1 U 4.046e+03 0.00e+00 e 0 667 0 670 0 7193 29.698 6.396 1.596 1 U 2.333e+03 0.00e+00 e 0 667 576 670 0 7196 26.110 3.640 0.725 1 U 4.585e+03 0.00e+00 e 0 985 929 983 0 7197 26.110 3.544 0.725 1 U 2.724e+03 0.00e+00 e 0 985 0 983 0 7198 26.110 1.899 0.725 1 U 8.864e+03 0.00e+00 e 0 985 0 983 0 7199 26.548 1.888 0.583 1 U 1.566e+03 0.00e+00 e 0 94 0 92 0 7200 24.767 6.932 1.337 1 U 2.706e+03 0.00e+00 e 0 1326 1265 1321 0 7201 24.767 8.318 1.337 1 U 4.376e+03 0.00e+00 e 0 1326 0 1321 0 7202 24.767 8.523 1.337 1 U 5.021e+03 0.00e+00 e 0 1326 0 1321 0 7203 132.681 7.802 7.130 1 U -4.030e+03 0.00e+00 e 0 1891 1903 1887 0 7204 132.681 8.445 7.130 1 U -3.192e+03 0.00e+00 e 0 1891 1880 1887 0 7205 130.537 1.628 7.447 1 U 0.000e+00 0.00e+00 - 0 1396 828 1391 0 7206 117.581 6.421 6.965 1 U -1.945e+03 0.00e+00 e 0 1583 389 1587 0 7207 40.852 1.940 1.437 1 U 2.249e+03 0.00e+00 e 0 86 2038 87 0 7212 17.696 1.726 1.453 1 U -9.630e+03 0.00e+00 e 0 282 1866 281 0 7213 17.696 0.847 1.453 1 U -1.899e+04 0.00e+00 e 0 282 1845 281 0 7215 16.610 0.943 0.507 1 U -9.141e+03 0.00e+00 e 0 649 721 648 0 7217 35.909 1.005 2.307 1 U 3.454e+03 0.00e+00 e 0 755 813 758 0 7218 23.012 7.000 1.226 1 U 6.648e+03 0.00e+00 e 0 1910 891 1908 0 7219 22.622 6.737 1.203 1 U 3.327e+03 0.00e+00 e 0 167 892 165 0 7220 22.622 6.990 1.203 1 U 3.641e+03 0.00e+00 e 0 167 891 165 0 7221 23.012 6.732 1.226 1 U 9.050e+03 0.00e+00 e 0 1910 892 1908 0 7222 36.357 1.540 2.215 1 U 6.625e+03 0.00e+00 e 0 252 311 253 0 7223 54.498 0.660 3.641 1 U -5.744e+03 0.00e+00 e 0 928 93 929 0 7224 54.498 0.581 3.641 1 U -5.346e+03 0.00e+00 e 0 928 92 929 0 7225 16.684 0.783 0.345 1 U -6.371e+03 0.00e+00 e 0 931 1181 930 0 7226 58.783 1.646 4.033 1 U -2.186e+03 0.00e+00 e 0 960 1029 961 0 7227 17.617 4.921 0.840 1 U -1.362e+03 0.00e+00 e 0 1002 1196 1001 0 7228 13.963 1.865 0.700 1 U -5.390e+03 0.00e+00 e 0 1011 942 1010 0 7229 63.215 3.877 4.035 1 U -4.145e+04 0.00e+00 e 0 997 0 998 0 7230 17.617 0.988 0.840 1 U -1.127e+04 0.00e+00 e 0 1002 1970 1001 0 7231 26.548 0.968 0.583 1 U 8.005e+03 0.00e+00 e 0 94 2045 92 0 7233 26.548 8.953 0.583 1 U 1.191e+03 0.00e+00 e 0 94 927 92 0 7234 23.866 8.948 0.660 1 U 8.275e+03 0.00e+00 e 0 98 927 93 0 7238 132.681 1.415 7.130 1 U -3.582e+03 0.00e+00 e 0 1891 1958 1887 0 7239 34.147 1.090 1.090 1 U 8.535e+04 0.00e+00 e 0 1131 1132 1132 0 7240 34.147 1.225 1.224 1 U 8.386e+04 0.00e+00 e 0 1131 1133 1133 0 7241 24.760 0.691 0.693 1 U 4.475e+05 0.00e+00 e 0 1135 1136 1136 0 7242 29.230 0.691 1.415 1 U 2.422e+04 0.00e+00 e 0 1139 1136 1141 0 7243 41.746 0.691 2.814 1 U 9.057e+04 0.00e+00 e 0 1143 1136 1146 0 7244 57.900 0.691 4.105 1 U -1.376e+04 0.00e+00 e 0 1129 1136 1130 0 7245 57.900 1.020 4.105 1 U -1.514e+04 0.00e+00 e 0 1129 1137 1130 0 7246 57.900 1.085 4.105 1 U -1.301e+04 0.00e+00 e 0 1129 1132 1130 0 7247 57.900 1.225 4.105 1 U -1.934e+04 0.00e+00 e 0 1129 1133 1130 0 7248 57.900 1.370 4.105 1 U -3.061e+03 0.00e+00 e 0 1129 1140 1130 0 7249 57.900 1.420 4.105 1 U -7.033e+03 0.00e+00 e 0 1129 1141 1130 0 7251 41.746 1.030 2.814 1 U 6.076e+04 0.00e+00 e 0 1143 1137 1146 0 7252 41.746 1.095 2.814 1 U 2.150e+04 0.00e+00 e 0 1143 1132 1146 0 7253 41.746 1.230 2.814 1 U 2.863e+04 0.00e+00 e 0 1143 1133 1146 0 7254 41.746 1.375 2.814 1 U 1.137e+05 0.00e+00 e 0 1143 1140 1146 0 7255 41.746 1.425 2.814 1 U 7.669e+04 0.00e+00 e 0 1143 1141 1146 0 7256 41.746 2.820 2.814 1 U 4.315e+06 0.00e+00 e 0 1143 1146 1146 0 7257 29.230 0.691 1.371 1 U 2.256e+04 0.00e+00 e 0 1139 1136 1140 0 7258 29.230 1.035 1.415 1 U 2.960e+04 0.00e+00 e 0 1139 1137 1141 0 7259 29.230 1.100 1.415 1 U 3.360e+04 0.00e+00 e 0 1139 1132 1141 0 7260 29.230 1.235 1.415 1 U 3.453e+04 0.00e+00 e 0 1139 1133 1141 0 7261 29.230 1.370 1.415 1 U 2.361e+05 0.00e+00 e 0 1139 1140 1141 0 7262 29.230 1.420 1.415 1 U 2.930e+05 0.00e+00 e 0 1139 1141 1141 0 7263 29.230 2.820 1.415 1 U 4.565e+04 0.00e+00 e 0 1139 1146 1141 0 7264 24.760 1.035 0.693 1 U 1.410e+05 0.00e+00 e 0 1135 1137 1136 0 7265 24.760 1.230 0.693 1 U 2.807e+04 0.00e+00 e 0 1135 1133 1136 0 7266 24.760 1.370 0.693 1 U 2.551e+04 0.00e+00 e 0 1135 1140 1136 0 7267 24.760 1.435 0.693 1 U 1.343e+04 0.00e+00 e 0 1135 1141 1136 0 7268 24.760 0.691 1.032 1 U 2.024e+05 0.00e+00 e 0 1135 1136 1137 0 7269 24.760 1.035 1.032 1 U 3.269e+05 0.00e+00 e 0 1135 1137 1137 0 7270 24.760 1.095 1.032 1 U 2.193e+05 0.00e+00 e 0 1135 1132 1137 0 7271 24.760 1.235 1.032 1 U 9.491e+04 0.00e+00 e 0 1135 1133 1137 0 7272 24.760 1.365 1.032 1 U 3.020e+04 0.00e+00 e 0 1135 1140 1137 0 7273 24.760 1.430 1.032 1 U 3.683e+04 0.00e+00 e 0 1135 1141 1137 0 7274 24.760 2.065 1.032 1 U 7.748e+03 0.00e+00 e 0 1135 0 1137 0 7275 24.760 2.820 1.032 1 U 0.000e+00 0.00e+00 - 0 1135 1146 1137 0 7276 24.760 2.825 0.693 1 U 0.000e+00 0.00e+00 - 0 1135 1146 1136 0 7277 34.147 0.691 1.090 1 U 1.430e+04 0.00e+00 e 0 1131 1136 1132 0 7278 34.147 0.696 1.224 1 U 0.000e+00 0.00e+00 - 0 1131 1136 1133 0 7279 24.760 1.095 0.693 1 U 3.347e+04 0.00e+00 e 0 1135 1132 1136 0 7280 34.147 1.235 1.090 1 U 4.475e+04 0.00e+00 e 0 1131 1133 1132 0 7281 34.147 1.020 1.090 1 U 2.157e+04 0.00e+00 e 0 1131 1137 1132 0 7282 34.147 2.820 1.090 1 U 1.903e+03 0.00e+00 e 0 1131 1146 1132 0 7283 34.147 1.375 1.090 1 U 8.294e+03 0.00e+00 e 0 1131 1140 1132 0 7284 34.147 1.370 1.224 1 U 6.065e+03 0.00e+00 e 0 1131 1140 1133 0 7285 34.147 1.425 1.224 1 U 6.636e+03 0.00e+00 e 0 1131 1141 1133 0 7286 34.147 2.815 1.224 1 U 2.168e+03 0.00e+00 e 0 1131 1146 1133 0 7287 34.147 1.095 1.224 1 U 7.671e+04 0.00e+00 e 0 1131 0 1133 0 7288 34.147 1.020 1.224 1 U 2.346e+04 0.00e+00 e 0 1131 1137 1133 0 7289 34.147 4.097 1.090 1 U 1.110e+04 0.00e+00 e 0 1131 1130 1132 0 7290 34.147 4.097 1.224 1 U 1.769e+04 0.00e+00 e 0 1131 1130 1133 0 7291 24.760 4.102 0.693 1 U 1.340e+04 0.00e+00 e 0 1135 1130 1136 0 7292 24.760 4.102 1.032 1 U 2.141e+04 0.00e+00 e 0 1135 1130 1137 0 7293 29.230 4.102 1.415 1 U 7.477e+03 0.00e+00 e 0 1139 1130 1141 0 7299 41.746 4.092 2.814 1 U 0.000e+00 0.00e+00 - 0 1143 1130 1146 0 7301 29.230 1.035 1.371 1 U 7.340e+03 0.00e+00 e 0 1139 1137 1140 0 7302 29.230 1.110 1.371 1 U 1.127e+04 0.00e+00 e 0 1139 1132 1140 0 7303 29.230 1.235 1.371 1 U 2.231e+04 0.00e+00 e 0 1139 1133 1140 0 7304 29.230 1.370 1.371 1 U 1.429e+05 0.00e+00 e 0 1139 1140 1140 0 7305 29.230 1.425 1.371 1 U 2.104e+05 0.00e+00 e 0 1139 1141 1140 0 7306 29.230 2.820 1.371 1 U 2.164e+04 0.00e+00 e 0 1139 1146 1140 0 7308 41.746 6.743 2.814 1 U 2.373e+04 0.00e+00 e 0 1143 1161 1146 0 7309 41.746 7.123 2.814 1 U 8.195e+03 0.00e+00 e 0 1143 1160 1146 0 7310 29.230 6.748 1.371 1 U 3.143e+03 0.00e+00 e 0 1139 1161 1140 0 7311 29.230 6.748 1.415 1 U 4.994e+03 0.00e+00 e 0 1139 1161 1141 0 7312 34.147 7.128 1.090 1 U 5.135e+03 0.00e+00 e 0 1131 1160 1132 0 7313 34.147 6.743 1.090 1 U 1.045e+03 0.00e+00 e 0 1131 1161 1132 0 7314 34.147 7.123 1.224 1 U 2.394e+03 0.00e+00 e 0 1131 1160 1133 0 7315 34.147 6.743 1.224 1 U 7.740e+02 0.00e+00 e 0 1131 1161 1133 0 7316 24.760 7.123 0.693 1 U 2.681e+03 0.00e+00 e 0 1135 1160 1136 0 7317 24.760 6.748 0.693 1 U 2.771e+03 0.00e+00 e 0 1135 1161 1136 0 7318 24.760 6.753 1.032 1 U 2.124e+03 0.00e+00 e 0 1135 1161 1137 0 7319 24.760 6.938 1.032 1 U 4.390e+03 0.00e+00 e 0 1135 0 1137 0 7320 24.760 8.273 1.032 1 U 5.542e+03 0.00e+00 e 0 1135 0 1137 0 7321 57.900 4.100 4.105 1 U -3.320e+05 0.00e+00 e 0 1129 1130 1130 0 7322 20.394 4.062 0.785 1 U 0.000e+00 0.00e+00 - 0 1183 0 1181 0 7323 21.034 1.233 0.960 1 U -4.970e+04 0.00e+00 e 0 1187 1908 1182 0 7324 20.394 1.233 0.785 1 U -2.374e+04 0.00e+00 e 0 1183 1908 1181 0 7325 18.084 1.193 0.756 1 U -6.643e+03 0.00e+00 e 0 1275 1971 1274 0 7326 12.758 1.198 0.562 1 U -2.253e+04 0.00e+00 e 0 1284 1971 1283 0 7327 12.758 0.983 0.562 1 U -9.029e+03 0.00e+00 e 0 1284 1970 1283 0 7328 18.084 0.983 0.756 1 U -4.037e+03 0.00e+00 e 0 1275 0 1274 0 7329 18.084 8.808 0.756 1 U -3.115e+03 0.00e+00 e 0 1275 895 1274 0 7330 59.098 0.765 3.957 1 U -1.830e+03 0.00e+00 e 0 1484 657 1485 0 7331 18.803 7.742 1.518 1 U 0.000e+00 0.00e+00 - 0 1309 0 1308 0 7332 18.803 8.354 1.518 1 U -4.146e+03 0.00e+00 e 0 1309 1358 1308 0 7333 18.803 8.564 1.518 1 U -2.096e+03 0.00e+00 e 0 1309 0 1308 0 7334 24.767 0.324 1.337 1 U 0.000e+00 0.00e+00 - 0 1326 0 1321 0 7335 22.068 0.324 0.558 1 U 0.000e+00 0.00e+00 - 0 1322 0 1320 0 7340 23.421 4.055 0.722 1 U 6.236e+03 0.00e+00 e 0 1458 1385 1453 0 7341 23.421 4.095 0.722 1 U 2.917e+03 0.00e+00 e 0 1458 1806 1453 0 7342 28.287 4.075 0.702 1 U 1.672e+04 0.00e+00 e 0 1454 280 1452 0 7343 28.287 4.090 0.702 1 U 2.045e+03 0.00e+00 e 0 1454 1806 1452 0 7349 42.193 1.590 1.590 1 U 0.000e+00 0.00e+00 - 0 2156 2159 2159 0 7350 42.193 1.493 1.488 1 U 0.000e+00 0.00e+00 - 0 0 0 0 0 7351 24.760 0.912 0.912 1 U 0.000e+00 0.00e+00 - 0 2168 2163 2163 0 7353 55.100 4.345 4.345 1 U 0.000e+00 0.00e+00 - 0 2154 2155 2155 0 7355 55.100 1.590 4.345 1 U 0.000e+00 0.00e+00 - 0 2154 2159 2155 0 7356 55.100 0.863 4.345 1 U 0.000e+00 0.00e+00 - 0 2154 2162 2155 0 7357 55.100 0.912 4.345 1 U 0.000e+00 0.00e+00 - 0 2154 2163 2155 0 7358 55.100 1.602 4.345 1 U 0.000e+00 0.00e+00 - 0 2154 2161 2155 0 7359 24.760 1.602 0.912 1 U 0.000e+00 0.00e+00 - 0 2168 2161 2163 0 7360 23.866 0.863 0.863 1 U 0.000e+00 0.00e+00 - 0 2164 2162 2162 0 7361 23.866 1.602 0.863 1 U 0.000e+00 0.00e+00 - 0 2164 2161 2162 0 7362 26.995 1.602 1.602 1 U 0.000e+00 0.00e+00 - 0 2160 2161 2161 0 7363 26.995 0.912 1.602 1 U 0.000e+00 0.00e+00 - 0 2160 2163 2161 0 7364 26.995 0.863 1.602 1 U 0.000e+00 0.00e+00 - 0 2160 2162 2161 0 7365 42.193 0.863 1.590 1 U 0.000e+00 0.00e+00 - 0 2156 2162 2159 0 7366 42.193 0.912 1.590 1 U 0.000e+00 0.00e+00 - 0 2156 2163 2159 0 7372 23.866 4.345 0.863 1 U 0.000e+00 0.00e+00 - 0 2164 2155 2162 0 7373 24.760 4.345 0.912 1 U 0.000e+00 0.00e+00 - 0 2168 2155 2163 0 7374 42.193 4.345 1.590 1 U 0.000e+00 0.00e+00 - 0 2156 2155 2159 0 7375 26.995 4.345 1.602 1 U 0.000e+00 0.00e+00 - 0 2160 2155 2161 0 7376 56.000 4.277 4.277 1 U 0.000e+00 0.00e+00 - 0 2128 2129 2129 0 7377 56.000 3.161 4.277 1 U -7.682e+03 0.00e+00 e 0 2128 2141 2129 0 7378 30.124 4.277 1.852 1 U 0.000e+00 0.00e+00 - 0 2130 2129 2132 0 7379 30.124 4.277 1.760 1 U 0.000e+00 0.00e+00 - 0 2130 2129 2131 0 7380 30.124 3.160 1.852 1 U 1.322e+04 0.00e+00 e 0 2130 2141 2132 0 7381 30.124 3.160 1.760 1 U 1.689e+04 0.00e+00 e 0 2130 2141 2131 0 7382 26.995 4.277 1.581 1 U 0.000e+00 0.00e+00 - 0 2134 2129 2137 0 7385 30.124 1.760 1.852 1 U 3.035e+05 0.00e+00 e 0 2130 2131 2132 0 7387 43.087 4.277 3.160 1 U 0.000e+00 0.00e+00 - 0 2138 2129 2141 0 7388 43.087 3.160 3.160 1 U 0.000e+00 0.00e+00 - 0 2138 2141 2141 0 7389 56.000 1.760 4.277 1 U -2.446e+04 0.00e+00 e 0 2128 2131 2129 0 7390 56.000 1.852 4.277 1 U -4.176e+04 0.00e+00 e 0 2128 2132 2129 0 7391 56.000 1.581 4.277 1 U -4.907e+04 0.00e+00 e 0 2128 2137 2129 0 7392 30.124 1.760 1.760 1 U 2.813e+05 0.00e+00 e 0 2130 2131 2131 0 7393 30.124 1.852 1.760 1 U 2.240e+05 0.00e+00 e 0 2130 2132 2131 0 7394 30.124 1.581 1.760 1 U 5.904e+04 0.00e+00 e 0 2130 2137 2131 0 7395 30.124 1.852 1.852 1 U 4.092e+05 0.00e+00 e 0 2130 2132 2132 0 7396 30.124 1.581 1.852 1 U 6.350e+04 0.00e+00 e 0 2130 2137 2132 0 7397 26.995 1.760 1.581 1 U 0.000e+00 0.00e+00 - 0 2134 2131 2137 0 7398 26.995 1.760 1.581 1 U 0.000e+00 0.00e+00 - 0 2134 2131 2137 0 7399 26.995 1.581 1.581 1 U 0.000e+00 0.00e+00 - 0 2134 2137 2137 0 7400 43.087 1.760 3.160 1 U 3.819e+04 0.00e+00 e 0 2138 2131 2141 0 7401 43.087 1.852 3.160 1 U 2.659e+04 0.00e+00 e 0 2138 2132 2141 0 7402 43.087 1.581 3.160 1 U 0.000e+00 0.00e+00 - 0 2138 2137 2141 0 7403 26.995 3.156 1.581 1 U 3.309e+04 0.00e+00 e 0 2134 2141 2137 0 7404 30.124 4.177 1.895 1 U 3.622e+04 0.00e+00 e 0 2178 2177 2180 0 7405 30.124 4.177 1.826 1 U 2.343e+04 0.00e+00 e 0 2178 2177 2179 0 7406 35.935 4.177 2.183 1 U 2.505e+04 0.00e+00 e 0 2182 2177 2184 0 7407 35.935 4.177 2.107 1 U 2.094e+04 0.00e+00 e 0 2182 2177 2183 0 7408 56.500 4.177 4.177 1 U -2.327e+06 0.00e+00 e 0 2176 2177 2177 0 7409 56.500 2.178 4.177 1 U -2.164e+04 0.00e+00 e 0 2176 2184 2177 0 7410 56.500 2.124 4.177 1 U -2.475e+04 0.00e+00 e 0 2176 2183 2177 0 7411 35.935 2.183 2.183 1 U 5.643e+05 0.00e+00 e 0 2182 2184 2184 0 7412 35.935 2.124 2.183 1 U 6.388e+05 0.00e+00 e 0 2182 2183 2184 0 7413 35.935 2.183 2.107 1 U 8.061e+05 0.00e+00 e 0 2182 2184 2183 0 7414 35.935 2.124 2.107 1 U 3.435e+05 0.00e+00 e 0 2182 2183 2183 0 7415 30.124 2.178 1.895 1 U 2.598e+04 0.00e+00 e 0 2178 2184 2180 0 7416 30.124 2.114 1.895 1 U 5.828e+04 0.00e+00 e 0 2178 2183 2180 0 7417 30.124 2.178 1.826 1 U 3.489e+04 0.00e+00 e 0 2178 2184 2179 0 7418 30.124 2.114 1.826 1 U 5.438e+04 0.00e+00 e 0 2178 2183 2179 0 7419 56.500 1.895 4.177 1 U -4.443e+04 0.00e+00 e 0 2176 2180 2177 0 7420 56.500 1.826 4.177 1 U -3.222e+04 0.00e+00 e 0 2176 2179 2177 0 7421 30.124 1.895 1.826 1 U 6.161e+05 0.00e+00 e 0 2178 2180 2179 0 7422 30.124 1.826 1.826 1 U 4.374e+05 0.00e+00 e 0 2178 2179 2179 0 7423 30.124 1.895 1.895 1 U 0.000e+00 0.00e+00 - 0 2178 2180 2180 0 7424 30.124 1.826 1.895 1 U 5.978e+05 0.00e+00 e 0 2178 2179 2180 0 7425 35.935 1.895 2.107 1 U 4.243e+04 0.00e+00 e 0 2182 2180 2183 0 7426 35.935 1.826 2.107 1 U 3.947e+04 0.00e+00 e 0 2182 2179 2183 0 7427 35.935 1.895 2.183 1 U 2.659e+04 0.00e+00 e 0 2182 2180 2184 0 7428 35.935 1.826 2.183 1 U 3.118e+04 0.00e+00 e 0 2182 2179 2184 0 7429 118.585 6.987 6.885 1 U -1.966e+04 0.00e+00 r 0 1600 0 1604 0 7430 31.941 0.877 3.276 1 U 4.013e+03 0.00e+00 r 0 1594 1622 1597 0 7431 17.656 2.194 1.044 1 U -1.002e+04 0.00e+00 r 0 1614 1726 1613 0 7432 14.080 2.195 0.886 1 U -1.632e+04 0.00e+00 r 0 1623 1726 1622 0 7433 17.617 0.720 0.657 1 U -1.702e+04 0.00e+00 e 0 1787 1453 1786 0 7434 59.408 0.223 3.909 1 U -1.589e+03 0.00e+00 e 0 174 238 175 0 7435 59.408 0.807 3.909 1 U -1.700e+03 0.00e+00 e 0 174 229 175 0 7437 24.452 0.658 1.062 1 U 1.673e+04 0.00e+00 e 0 1851 1786 1846 0 7438 22.003 0.660 0.848 1 U 7.110e+03 0.00e+00 e 0 1847 1786 1845 0 7439 22.003 0.269 0.848 1 U 3.370e+03 0.00e+00 e 0 1847 0 1845 0 7440 23.012 0.556 1.226 1 U 1.156e+04 0.00e+00 e 0 1910 1320 1908 0 7441 58.532 1.218 3.900 1 U -4.646e+03 0.00e+00 e 0 1917 165 1918 0 7442 20.708 0.560 0.979 1 U -1.585e+04 0.00e+00 e 0 1972 1283 1970 0 7444 24.742 0.581 1.201 1 U 4.794e+03 0.00e+00 e 0 1976 92 1971 0 7445 24.767 1.220 1.337 1 U 1.149e+05 0.00e+00 e 0 1326 1908 1321 0 7446 117.630 2.830 6.740 1 U -7.692e+03 0.00e+00 e 0 1166 1146 1161 0 7447 20.208 1.514 0.854 1 U 0.000e+00 0.00e+00 - 0 1567 0 1562 0 7448 25.158 3.885 0.829 1 U 1.202e+04 0.00e+00 e 0 948 907 946 0 7449 23.447 3.892 0.843 1 U 6.205e+03 0.00e+00 e 0 952 907 947 0 7451 24.748 4.036 1.594 1 U 3.644e+03 0.00e+00 e 0 1024 961 1026 0 7452 29.609 4.040 1.660 1 U 1.303e+03 0.00e+00 e 0 1028 961 1030 0 7453 24.748 4.036 1.339 1 U 3.052e+03 0.00e+00 e 0 1024 961 1025 0 7454 21.098 4.053 0.941 1 U -5.607e+03 0.00e+00 e 0 726 0 721 0 7455 22.410 0.309 0.018 1 U 4.063e+04 0.00e+00 e 0 1927 0 1925 0 7456 14.191 1.679 0.304 1 U -8.791e+03 0.00e+00 e 0 218 808 217 0 7457 14.191 1.560 0.304 1 U -1.064e+04 0.00e+00 e 0 218 811 217 0 7458 14.191 1.627 0.304 1 U -4.824e+04 0.00e+00 e 0 218 828 217 0 7459 14.191 0.866 0.304 1 U -1.186e+04 0.00e+00 e 0 218 0 217 0 7460 41.756 0.870 1.682 1 U 2.076e+04 0.00e+00 e 0 806 0 808 0 7461 14.191 1.003 0.304 1 U -1.607e+04 0.00e+00 e 0 218 813 217 0 7464 18.084 7.073 0.756 1 U -5.852e+03 0.00e+00 e 0 1275 0 1274 0 7465 12.758 6.986 0.562 1 U -2.184e+03 0.00e+00 e 0 1284 891 1283 0 7466 14.358 1.621 0.739 1 U -1.461e+03 0.00e+00 e 0 2049 113 2048 0 7467 22.031 0.711 0.289 1 U 1.295e+04 0.00e+00 e 0 1472 0 1470 0 7468 31.477 0.835 2.147 1 U 4.044e+03 0.00e+00 e 0 718 0 719 0 7469 58.605 7.984 4.071 1 U -1.208e+03 0.00e+00 e 0 1018 0 1019 0 7470 41.261 0.366 1.614 1 U 2.514e+03 0.00e+00 e 0 1919 1926 1921 0 7471 26.618 0.849 0.370 1 U 3.718e+04 0.00e+00 e 0 1931 1845 1926 0 7473 26.545 0.859 1.628 1 U 3.068e+04 0.00e+00 e 0 1923 1845 1924 0 7474 22.410 0.856 0.018 1 U 1.162e+04 0.00e+00 e 0 1927 1845 1925 0 7475 16.684 0.590 0.345 1 U -6.937e+03 0.00e+00 e 0 931 92 930 0 7476 26.548 2.004 0.583 1 U 2.093e+03 0.00e+00 e 0 94 153 92 0 7477 26.548 1.439 0.583 1 U 2.000e+03 0.00e+00 - 0 94 982 92 0 7479 26.548 5.214 0.583 1 U 5.150e+02 0.00e+00 e 0 94 0 92 0 7480 23.866 1.877 0.660 1 U 0.000e+00 0.00e+00 - 0 98 0 93 0 7481 23.866 9.279 0.660 1 U 0.000e+00 0.00e+00 - 0 98 0 93 0 7482 26.548 9.818 0.583 1 U 0.000e+00 0.00e+00 - 0 94 0 92 0 7484 40.994 3.969 1.912 1 U 6.620e+02 0.00e+00 e 0 108 107 110 0 7485 58.511 5.210 3.968 1 U -5.121e+03 0.00e+00 e 0 106 166 107 0 7486 25.464 2.895 0.940 1 U 6.490e+02 0.00e+00 e 0 116 0 114 0 7487 22.984 1.501 0.967 1 U 3.736e+04 0.00e+00 e 0 120 1997 115 0 7488 25.464 1.501 0.940 1 U 3.567e+03 0.00e+00 e 0 116 1997 114 0 7489 25.464 1.336 0.940 1 U 5.017e+03 0.00e+00 e 0 116 0 114 0 7490 22.984 1.340 0.967 1 U 1.512e+04 0.00e+00 e 0 120 1991 115 0 7491 22.984 1.214 0.967 1 U 3.322e+04 0.00e+00 e 0 120 0 115 0 7492 22.984 1.804 0.967 1 U 3.389e+03 0.00e+00 e 0 120 1987 115 0 7493 25.464 1.797 0.940 1 U 1.397e+03 0.00e+00 e 0 116 0 114 0 7495 32.870 6.764 2.783 1 U 3.386e+03 0.00e+00 e 0 149 0 151 0 7496 36.808 7.529 2.062 1 U 0.000e+00 0.00e+00 - 0 180 0 181 0 7497 36.808 4.040 2.462 1 U 3.410e+03 0.00e+00 e 0 180 0 182 0 7498 36.808 1.513 2.462 1 U 9.157e+03 0.00e+00 e 0 180 0 182 0 7499 36.808 1.510 2.062 1 U 3.873e+03 0.00e+00 e 0 180 0 181 0 7500 33.679 4.033 2.316 1 U 8.590e+02 0.00e+00 e 0 195 0 196 0 7501 33.679 4.033 2.505 1 U 1.506e+03 0.00e+00 e 0 195 0 197 0 7504 14.191 0.564 0.304 1 U -2.886e+04 0.00e+00 e 0 218 0 217 0 7505 14.191 7.515 0.304 1 U -2.805e+03 0.00e+00 e 0 218 0 217 0 7506 14.191 6.960 0.304 1 U -3.307e+03 0.00e+00 e 0 218 0 217 0 7507 29.571 1.330 1.534 1 U 2.596e+04 0.00e+00 e 0 234 0 237 0 7508 29.571 1.213 1.534 1 U 3.993e+03 0.00e+00 e 0 234 0 237 0 7509 29.571 0.978 1.534 1 U 5.078e+03 0.00e+00 e 0 234 0 237 0 7510 36.357 1.535 2.379 1 U 0.000e+00 0.00e+00 - 0 252 0 254 0 7511 36.357 1.240 2.379 1 U 0.000e+00 0.00e+00 - 0 252 0 254 0 7512 36.357 1.249 2.215 1 U 0.000e+00 0.00e+00 - 0 252 0 253 0 7513 22.917 0.962 1.237 1 U 3.465e+04 0.00e+00 e 0 267 0 265 0 7514 21.787 0.930 0.777 1 U 1.659e+04 0.00e+00 e 0 271 0 266 0 7516 35.909 0.963 2.307 1 U 5.915e+03 0.00e+00 e 0 755 812 758 0 7517 26.399 2.291 1.006 1 U 4.391e+03 0.00e+00 e 0 818 758 813 0 7518 23.759 3.117 0.848 1 U 0.000e+00 0.00e+00 - 0 989 0 984 0 7519 67.668 0.699 4.090 1 U -6.080e+02 0.00e+00 e 0 1805 0 1806 0 7520 21.078 0.702 1.004 1 U 0.000e+00 0.00e+00 - 0 1809 0 1807 0 7521 67.331 1.475 3.476 1 U 0.000e+00 0.00e+00 - 0 1803 0 1804 0 7522 22.003 6.925 0.848 1 U 4.820e+04 0.00e+00 e 0 1847 1390 1845 0 7523 17.617 0.850 0.657 1 U -1.667e+04 0.00e+00 e 0 1787 0 1786 0 7524 22.003 1.336 0.848 1 U 0.000e+00 0.00e+00 - 0 1847 0 1845 0 7525 22.003 1.449 0.848 1 U 0.000e+00 0.00e+00 - 0 1847 0 1845 0 7526 24.452 1.339 1.062 1 U 0.000e+00 0.00e+00 - 0 1851 0 1846 0 7527 22.003 1.719 0.848 1 U 0.000e+00 0.00e+00 - 0 1847 0 1845 0 7528 22.003 1.845 0.848 1 U 0.000e+00 0.00e+00 - 0 1847 0 1845 0 7529 31.863 0.708 2.153 1 U 0.000e+00 0.00e+00 - 0 1843 0 1844 0 7531 62.699 1.066 3.961 1 U -5.756e+03 0.00e+00 e 0 1833 0 1836 0 7532 62.699 0.658 3.961 1 U -3.475e+03 0.00e+00 e 0 1833 0 1836 0 7534 22.061 8.504 0.961 1 U 1.080e+03 0.00e+00 e 0 814 0 812 0 7535 22.061 3.714 0.961 1 U 1.107e+03 0.00e+00 e 0 814 208 812 0 7536 26.399 3.710 1.006 1 U 2.244e+03 0.00e+00 e 0 818 208 813 0 7537 26.399 8.121 1.006 1 U 4.458e+03 0.00e+00 e 0 818 206 813 0 7538 119.833 7.199 6.946 1 U 0.000e+00 0.00e+00 - 0 1947 0 1951 0 7541 59.606 1.000 3.710 1 U -4.225e+03 0.00e+00 e 0 207 813 208 0 7545 24.305 1.595 0.986 1 U 0.000e+00 0.00e+00 - 0 1869 0 1867 0 7546 24.305 1.200 0.986 1 U 0.000e+00 0.00e+00 - 0 1869 0 1867 0 7547 50.800 3.770 3.770 1 U -2.095e+04 0.00e+00 e 0 1112 1123 1123 0 7548 50.800 3.901 3.770 1 U -3.190e+04 0.00e+00 e 0 1112 1124 1123 0 7549 50.800 3.901 3.901 1 U -1.566e+04 0.00e+00 e 0 1112 1124 1124 0 7550 50.800 3.770 3.901 1 U -2.170e+04 0.00e+00 e 0 1112 1123 1124 0 7551 50.800 4.342 3.770 1 U -1.628e+04 0.00e+00 e 0 1112 1088 1123 0 7552 50.800 4.342 3.901 1 U -1.132e+04 0.00e+00 e 0 1112 1088 1124 0 7553 54.900 4.339 4.335 1 U 0.000e+00 0.00e+00 - 0 1087 1088 1088 0 7554 54.900 3.901 4.335 1 U -6.073e+03 0.00e+00 e 0 1087 1124 1088 0 7555 54.900 3.770 4.335 1 U -9.471e+03 0.00e+00 e 0 1087 1123 1088 0 7559 50.800 2.076 3.901 1 U 0.000e+00 0.00e+00 - 0 1112 1120 1124 0 7560 50.800 1.762 3.901 1 U 0.000e+00 0.00e+00 - 0 1112 1121 1124 0 7561 50.800 1.646 3.901 1 U 0.000e+00 0.00e+00 - 0 1112 0 1124 0 7562 50.800 2.076 3.770 1 U 0.000e+00 0.00e+00 - 0 1112 1120 1123 0 7563 50.800 1.762 3.770 1 U 0.000e+00 0.00e+00 - 0 1112 1121 1123 0 7564 50.800 1.640 3.770 1 U 0.000e+00 0.00e+00 - 0 1112 0 1123 0 7565 54.900 1.791 4.335 1 U 0.000e+00 0.00e+00 - 0 1087 1092 1088 0 7566 54.900 1.605 4.335 1 U 0.000e+00 0.00e+00 - 0 1087 0 1088 0 7567 54.900 1.486 4.335 1 U 0.000e+00 0.00e+00 - 0 1087 0 1088 0 7568 27.442 3.909 2.073 1 U 1.478e+04 0.00e+00 e 0 1119 1124 1120 0 7569 27.442 3.770 2.076 1 U 1.150e+04 0.00e+00 e 0 1119 1123 1120 0 7570 27.442 4.078 2.076 1 U 8.705e+03 0.00e+00 e 0 1119 0 1120 0 7571 27.442 3.770 1.762 1 U 9.286e+03 0.00e+00 e 0 1119 1123 1121 0 7572 27.442 3.901 1.762 1 U 0.000e+00 0.00e+00 - 0 1119 1124 1121 0 7573 27.442 3.256 2.076 1 U 3.426e+03 0.00e+00 e 0 1119 0 1120 0 7576 27.442 2.076 2.076 1 U 1.519e+05 0.00e+00 e 0 1119 1120 1120 0 7577 27.442 1.762 2.076 1 U 5.424e+04 0.00e+00 e 0 1119 1121 1120 0 7578 27.442 2.076 1.762 1 U 5.947e+04 0.00e+00 e 0 1119 1120 1121 0 7579 27.442 1.762 1.762 1 U 3.091e+04 0.00e+00 e 0 1119 1121 1121 0 7580 27.442 1.034 2.076 1 U 4.262e+03 0.00e+00 e 0 1119 0 1120 0 7581 27.442 0.827 2.076 1 U 1.036e+04 0.00e+00 e 0 1119 0 1120 0 7582 27.442 0.840 1.762 1 U 1.832e+04 0.00e+00 e 0 1119 0 1121 0 7583 27.442 0.714 1.762 1 U 1.007e+04 0.00e+00 e 0 1119 0 1121 0 7584 27.442 0.701 2.076 1 U 3.578e+03 0.00e+00 e 0 1119 0 1120 0 7585 27.442 0.994 1.762 1 U 1.066e+04 0.00e+00 e 0 1119 0 1121 0 7586 29.230 1.795 1.793 1 U 3.887e+05 0.00e+00 e 0 1089 1092 1092 0 7587 29.230 1.497 1.793 1 U 0.000e+00 0.00e+00 - 0 1089 0 1092 0 7588 29.230 2.040 1.793 1 U 4.476e+04 0.00e+00 e 0 1089 0 1092 0 7590 29.230 3.012 1.793 1 U 9.911e+03 0.00e+00 e 0 1089 0 1092 0 7591 29.230 3.797 1.793 1 U 0.000e+00 0.00e+00 - 0 1089 0 1092 0 7592 29.230 4.042 1.793 1 U 5.394e+03 0.00e+00 e 0 1089 0 1092 0 7593 29.230 4.198 1.793 1 U 1.193e+04 0.00e+00 e 0 1089 0 1092 0 7594 29.230 4.330 1.793 1 U 0.000e+00 0.00e+00 - 0 1089 1088 1092 0 7595 20.968 2.291 1.024 1 U -3.335e+04 0.00e+00 e 0 1049 0 1047 0 7596 20.968 1.962 1.024 1 U -2.899e+04 0.00e+00 e 0 1049 0 1047 0 7597 29.609 0.830 1.660 1 U 1.567e+04 0.00e+00 e 0 1028 0 1030 0 7598 29.609 0.827 1.639 1 U 2.458e+04 0.00e+00 e 0 1028 0 1029 0 7599 29.609 0.695 1.639 1 U 6.981e+03 0.00e+00 e 0 1028 0 1029 0 7600 29.609 0.698 1.660 1 U 5.768e+03 0.00e+00 e 0 1028 0 1030 0 7601 29.609 1.040 1.660 1 U 5.910e+03 0.00e+00 e 0 1028 0 1030 0 7602 29.609 1.043 1.639 1 U 5.801e+03 0.00e+00 e 0 1028 0 1029 0 7603 17.617 3.901 0.840 1 U -6.058e+03 0.00e+00 e 0 1002 0 1001 0 7604 50.800 0.839 3.770 1 U -1.611e+03 0.00e+00 e 0 1112 0 1123 0 7605 50.800 0.839 3.901 1 U -3.355e+03 0.00e+00 e 0 1112 0 1124 0 7606 20.968 2.073 1.024 1 U 0.000e+00 0.00e+00 - 0 1049 0 1047 0 7607 58.511 0.952 3.968 1 U -7.115e+03 0.00e+00 e 0 106 2039 107 0 7608 58.511 0.745 3.968 1 U 0.000e+00 0.00e+00 - 0 106 0 107 0 7609 17.550 1.621 0.953 1 U 0.000e+00 0.00e+00 - 0 2040 0 2039 0 7610 17.550 0.968 0.953 1 U 0.000e+00 0.00e+00 - 0 2040 115 2039 0 7611 18.084 8.370 0.756 1 U -1.007e+04 0.00e+00 e 0 1275 937 1274 0 7612 12.758 8.373 0.562 1 U -2.037e+03 0.00e+00 e 0 1284 937 1283 0 7613 57.303 2.030 4.294 1 U 0.000e+00 0.00e+00 - 0 1771 0 1772 0 7614 58.261 0.369 3.898 1 U -3.316e+03 0.00e+00 e 0 1859 0 1860 0 7615 58.261 0.018 3.898 1 U -9.620e+02 0.00e+00 e 0 1859 0 1860 0 7616 22.984 2.049 0.967 1 U 1.443e+04 0.00e+00 e 0 120 1988 115 0 7619 62.000 1.471 3.911 1 U -1.239e+04 0.00e+00 e 0 570 647 571 0 7620 62.000 0.771 3.911 1 U -4.303e+03 0.00e+00 e 0 570 657 571 0 7621 65.827 1.311 2.569 1 U -1.595e+03 0.00e+00 e 0 644 708 645 0 7622 65.827 0.507 2.569 1 U -2.694e+03 0.00e+00 e 0 644 648 645 0 7626 16.610 2.566 0.507 1 U -2.440e+04 0.00e+00 e 0 649 645 648 0 7627 16.610 3.912 0.507 1 U -3.244e+03 0.00e+00 e 0 649 571 648 0 7628 13.555 3.915 0.765 1 U -1.030e+04 0.00e+00 e 0 658 571 657 0 7629 16.610 3.639 0.507 1 U -9.390e+02 0.00e+00 e 0 649 666 648 0 7633 29.698 3.973 1.596 1 U 3.282e+03 0.00e+00 e 0 667 594 670 0 7634 18.023 6.432 1.306 1 U -1.936e+03 0.00e+00 e 0 709 0 708 0 7636 62.000 4.169 3.911 1 U 0.000e+00 0.00e+00 - 0 570 0 571 0 7637 64.064 3.971 4.282 1 U -1.631e+03 0.00e+00 e 0 631 0 632 0 7638 61.553 4.160 3.971 1 U -3.299e+03 0.00e+00 e 0 593 0 594 0 7641 56.900 4.631 4.635 1 U 0.000e+00 0.00e+00 - 0 536 537 537 0 7643 56.900 2.759 4.635 1 U -1.834e+04 0.00e+00 e 0 536 541 537 0 7644 56.900 1.723 4.635 1 U -2.548e+03 0.00e+00 e 0 536 0 537 0 7645 56.900 0.747 4.635 1 U -3.037e+03 0.00e+00 e 0 536 657 537 0 7647 56.900 7.438 4.635 1 U -8.576e+03 0.00e+00 e 0 536 542 537 0 7648 40.405 2.759 2.757 1 U 2.545e+05 0.00e+00 e 0 538 541 541 0 7650 40.405 4.631 2.757 1 U 2.257e+03 0.00e+00 e 0 538 537 541 0 7652 40.405 7.434 2.757 1 U 1.873e+03 0.00e+00 e 0 538 542 541 0 7653 56.900 4.607 4.605 1 U -1.174e+05 0.00e+00 e 0 526 527 527 0 7654 64.000 3.727 3.722 1 U -6.337e+05 0.00e+00 e 0 528 531 531 0 7655 64.000 4.607 3.722 1 U -3.887e+04 0.00e+00 e 0 528 527 531 0 7656 56.900 3.731 4.605 1 U -5.410e+04 0.00e+00 e 0 526 531 527 0 7657 16.610 6.390 0.507 1 U -8.338e+03 0.00e+00 e 0 649 1540 648 0 7658 13.555 0.908 0.765 1 U -2.164e+04 0.00e+00 e 0 658 1561 657 0 7659 13.555 6.386 0.765 1 U -7.766e+03 0.00e+00 e 0 658 1540 657 0 7661 30.124 4.292 2.111 1 U 0.000e+00 0.00e+00 - 0 0 0 0 0 7662 30.124 4.296 1.974 1 U 0.000e+00 0.00e+00 - 0 0 0 0 0 7663 35.935 4.297 2.272 1 U 0.000e+00 0.00e+00 - 0 0 0 0 0 7664 35.935 4.293 2.315 1 U 0.000e+00 0.00e+00 - 0 0 0 0 0 7666 30.230 4.296 2.109 1 U 0.000e+00 0.00e+00 - 0 2094 2093 2097 0 7667 56.690 1.985 4.286 1 U -3.957e+04 0.00e+00 e 0 2092 2095 2093 0 7668 56.690 2.265 4.286 1 U -2.757e+04 0.00e+00 e 0 2092 2099 2093 0 7669 56.690 2.326 4.286 1 U -1.641e+04 0.00e+00 e 0 2092 2101 2093 0 7670 30.230 4.296 1.969 1 U 0.000e+00 0.00e+00 - 0 2094 2093 2095 0 7671 36.010 4.286 2.268 1 U 0.000e+00 0.00e+00 - 0 2098 2093 2099 0 8001 132.681 3.782 6.410 2 U 5.080e+03 0.00e+00 e 0 393 384 389 0 8002 132.681 2.109 6.410 2 U 8.580e+03 0.00e+00 e 0 393 386 389 0 8003 132.681 2.386 6.410 2 U 6.280e+03 0.00e+00 e 0 393 387 389 0 8004 132.681 6.410 6.410 2 U 1.050e+05 0.00e+00 e 0 393 389 389 0 8005 132.681 6.231 6.410 2 U 2.500e+04 0.00e+00 e 0 393 390 389 0 8006 115.448 6.410 6.231 2 U 3.640e+04 0.00e+00 e 0 395 389 390 0 8007 115.448 6.231 6.231 2 U 8.940e+04 0.00e+00 e 0 395 390 390 0 8012 132.415 6.393 6.393 2 U 8.350e+04 0.00e+00 e 0 1544 1540 1540 0 8013 132.415 6.130 6.393 2 U 1.040e+04 0.00e+00 e 0 1544 1541 1540 0 8014 116.413 6.393 6.130 2 U 2.160e+04 0.00e+00 e 0 1546 1540 1541 0 8015 116.413 6.130 6.130 2 U 1.100e+05 0.00e+00 e 0 1546 1541 1541 0 8016 130.793 3.911 6.401 2 U 3.940e+03 0.00e+00 e 0 580 571 576 0 8017 130.793 2.630 6.401 2 U 6.560e+03 0.00e+00 e 0 580 573 576 0 8018 130.793 3.143 6.401 2 U 5.520e+03 0.00e+00 e 0 580 574 576 0 8019 130.793 6.401 6.401 2 U 1.250e+05 0.00e+00 e 0 580 576 576 0 8020 130.793 7.034 6.401 2 U 2.240e+04 0.00e+00 e 0 580 577 576 0 8021 130.793 7.138 6.401 2 U 8.160e+02 0.00e+00 e 0 580 585 576 0 8022 130.466 6.401 7.034 2 U 2.560e+04 0.00e+00 e 0 582 576 577 0 8023 130.466 7.034 7.034 2 U 1.320e+05 0.00e+00 e 0 582 577 577 0 8024 130.466 7.138 7.034 2 U 1.660e+04 0.00e+00 e 0 582 585 577 0 8025 129.092 6.401 7.138 2 U 2.200e+03 0.00e+00 e 0 584 576 585 0 8026 129.092 7.034 7.138 2 U 3.440e+04 0.00e+00 e 0 584 577 585 0 8027 129.092 7.138 7.138 2 U 8.670e+04 0.00e+00 e 0 584 585 585 0 8028 131.229 3.982 7.452 2 U 5.892e+03 0.00e+00 e 0 603 594 599 0 8029 131.229 3.132 7.452 2 U 1.610e+04 0.00e+00 e 0 603 598 599 0 8030 131.229 7.452 7.452 2 U 0.000e+00 0.00e+00 - 0 603 599 599 0 8031 131.229 7.475 7.452 2 U 1.900e+05 0.00e+00 e 0 603 600 599 0 8032 131.229 7.360 7.452 2 U 1.340e+04 0.00e+00 e 0 603 608 599 0 8034 130.588 7.452 7.475 2 U 0.000e+00 0.00e+00 - 0 605 599 600 0 8035 130.588 7.475 7.475 2 U 0.000e+00 0.00e+00 - 0 605 600 600 0 8036 130.588 7.360 7.475 2 U 0.000e+00 0.00e+00 - 0 605 608 600 0 8038 129.365 7.452 7.360 2 U 8.440e+03 0.00e+00 e 0 607 599 608 0 8039 129.365 7.475 7.360 2 U 1.670e+04 0.00e+00 e 0 607 600 608 0 8040 129.365 7.360 7.360 2 U 1.350e+05 0.00e+00 e 0 607 608 608 0 8041 125.550 3.830 6.765 2 U 7.740e+02 0.00e+00 e 0 879 873 884 0 8042 125.550 3.073 6.765 2 U 1.430e+03 0.00e+00 e 0 879 875 884 0 8044 125.550 6.765 6.765 2 U 2.950e+04 0.00e+00 e 0 879 884 884 0 8046 125.550 9.822 6.765 2 U 1.110e+04 0.00e+00 e 0 879 888 884 0 8051 120.193 7.494 7.494 2 U 2.830e+04 0.00e+00 e 0 881 885 885 0 8053 120.193 7.020 7.494 2 U 1.360e+04 0.00e+00 e 0 881 889 885 0 8057 120.317 7.494 7.020 2 U 1.060e+04 0.00e+00 e 0 886 885 889 0 8059 120.317 7.020 7.020 2 U 0.000e+00 0.00e+00 - 0 886 889 889 0 8061 120.317 6.733 7.020 2 U 1.890e+03 0.00e+00 e 0 886 892 889 0 8064 112.546 9.822 6.996 2 U 1.680e+03 0.00e+00 e 0 887 888 891 0 8066 112.546 6.996 6.996 2 U 2.730e+04 0.00e+00 e 0 887 891 891 0 8067 112.546 6.733 6.996 2 U 7.380e+03 0.00e+00 e 0 887 892 891 0 8071 121.731 7.020 6.733 2 U 9.440e+03 0.00e+00 e 0 890 889 892 0 8072 121.731 6.996 6.733 2 U 1.610e+04 0.00e+00 e 0 890 891 892 0 8073 121.731 6.733 6.733 2 U 8.580e+03 0.00e+00 e 0 890 892 892 0 8074 132.561 4.758 7.128 2 U 1.000e+03 0.00e+00 e 0 1164 1155 1160 0 8075 132.561 2.808 7.128 2 U 2.700e+04 0.00e+00 e 0 1164 1157 1160 0 8076 132.561 3.441 7.128 2 U 1.780e+04 0.00e+00 e 0 1164 1158 1160 0 8077 132.561 7.128 7.128 2 U 0.000e+00 0.00e+00 - 0 1164 1160 1160 0 8078 132.561 6.740 7.128 2 U 1.200e+04 0.00e+00 e 0 1164 1161 1160 0 8079 117.630 7.128 6.740 2 U 7.510e+04 0.00e+00 e 0 1166 1160 1161 0 8080 117.630 6.740 6.740 2 U 0.000e+00 0.00e+00 - 0 1166 1161 1161 0 8082 119.941 3.038 7.006 2 U 6.820e+03 0.00e+00 e 0 1203 1198 1207 0 8083 119.941 3.283 7.006 2 U 3.420e+03 0.00e+00 e 0 1203 1199 1207 0 8084 119.941 7.006 7.006 2 U 2.170e+05 0.00e+00 e 0 1203 1207 1207 0 8085 119.941 7.847 7.006 2 U 2.980e+03 0.00e+00 e 0 1203 1194 1207 0 8088 130.618 4.057 6.918 2 U 3.970e+03 0.00e+00 e 0 1394 1385 1390 0 8089 130.618 3.116 6.918 2 U 2.170e+03 0.00e+00 e 0 1394 1387 1390 0 8090 130.618 2.970 6.918 2 U 3.610e+03 0.00e+00 e 0 1394 1388 1390 0 8091 130.618 6.918 6.918 2 U 7.230e+04 0.00e+00 e 0 1394 1390 1390 0 8092 130.618 7.445 6.918 2 U 8.990e+03 0.00e+00 e 0 1394 1391 1390 0 8093 130.618 7.168 6.918 2 U 3.580e+03 0.00e+00 e 0 1394 1399 1390 0 8094 130.537 6.918 7.445 2 U 1.350e+04 0.00e+00 e 0 1396 1390 1391 0 8095 130.537 7.445 7.445 2 U 0.000e+00 0.00e+00 - 0 1396 1391 1391 0 8096 130.537 7.168 7.445 2 U 2.340e+03 0.00e+00 e 0 1396 1399 1391 0 8098 129.932 7.445 7.168 2 U 1.320e+03 0.00e+00 e 0 1398 1391 1399 0 8099 129.932 7.168 7.168 2 U 1.040e+04 0.00e+00 e 0 1398 1399 1399 0 8100 133.541 4.318 7.425 2 U 1.298e+03 0.00e+00 e 0 546 1535 542 0 8101 133.541 2.573 7.425 2 U 1.810e+03 0.00e+00 e 0 546 0 542 0 8102 133.541 2.747 7.425 2 U 5.350e+03 0.00e+00 e 0 546 541 542 0 8103 133.541 7.425 7.425 2 U 8.670e+04 0.00e+00 e 0 546 542 542 0 8104 133.541 6.984 7.425 2 U 1.260e+04 0.00e+00 e 0 546 543 542 0 8105 117.620 7.425 6.984 2 U 2.450e+04 0.00e+00 e 0 548 542 543 0 8106 117.620 6.984 6.984 2 U 1.940e+05 0.00e+00 e 0 548 543 543 0 8107 117.715 4.283 6.969 2 U 3.720e+03 0.00e+00 e 0 1583 1576 1587 0 8108 117.715 2.911 6.969 2 U 1.420e+03 0.00e+00 e 0 1583 1578 1587 0 8109 117.715 3.260 6.969 2 U 1.990e+03 0.00e+00 e 0 1583 1579 1587 0 8110 117.715 6.969 6.969 2 U 7.220e+04 0.00e+00 e 0 1583 1587 1587 0 8111 117.715 8.589 6.969 2 U 4.270e+03 0.00e+00 e 0 1583 1574 1587 0 8114 118.585 4.781 6.885 2 U 2.030e+03 0.00e+00 e 0 1600 1593 1604 0 8115 118.585 3.276 6.885 2 U 6.560e+03 0.00e+00 e 0 1600 1597 1604 0 8116 118.585 6.885 6.885 2 U 1.160e+05 0.00e+00 e 0 1600 1604 1604 0 8125 130.184 3.449 6.448 2 U 7.010e+02 0.00e+00 e 0 1733 1724 1729 0 8126 130.184 2.203 6.448 2 U 2.720e+03 0.00e+00 e 0 1733 1726 1729 0 8127 130.184 2.530 6.448 2 U 2.320e+03 0.00e+00 e 0 1733 1727 1729 0 8128 130.184 6.448 6.448 2 U 4.750e+04 0.00e+00 e 0 1733 1729 1729 0 8129 130.184 7.075 6.448 2 U 1.200e+04 0.00e+00 e 0 1733 1730 1729 0 8130 130.184 6.668 6.448 2 U 1.530e+03 0.00e+00 e 0 1733 1738 1729 0 8131 130.035 6.448 7.075 2 U 1.180e+04 0.00e+00 e 0 1735 1729 1730 0 8132 130.035 7.075 7.075 2 U 3.860e+04 0.00e+00 e 0 1735 1730 1730 0 8133 130.035 6.668 7.075 2 U 9.170e+03 0.00e+00 e 0 1735 1738 1730 0 8135 128.209 7.075 6.668 2 U 1.040e+04 0.00e+00 e 0 1737 1730 1738 0 8136 128.209 6.668 6.668 2 U 2.390e+04 0.00e+00 e 0 1737 1738 1738 0 8137 132.792 4.173 7.130 2 U 1.710e+04 0.00e+00 e 0 1891 1882 1887 0 8138 132.792 3.169 7.130 2 U 2.900e+04 0.00e+00 e 0 1891 1884 1887 0 8139 132.792 3.279 7.130 2 U 2.730e+04 0.00e+00 e 0 1891 1885 1887 0 8140 132.792 7.130 7.130 2 U 6.110e+05 0.00e+00 e 0 1891 1887 1887 0 8141 132.792 6.811 7.130 2 U 1.350e+05 0.00e+00 e 0 1891 1888 1887 0 8142 117.470 7.130 6.811 2 U 8.830e+04 0.00e+00 e 0 1893 1887 1888 0 8143 117.470 6.811 6.811 2 U 5.780e+05 0.00e+00 e 0 1893 1888 1888 0 8144 119.692 4.002 6.948 2 U 2.340e+03 0.00e+00 e 0 1947 1940 1951 0 8145 119.692 2.976 6.948 2 U 4.640e+03 0.00e+00 e 0 1947 1942 1951 0 8146 119.692 3.001 6.948 2 U 2.470e+03 0.00e+00 e 0 1947 1943 1951 0 8147 119.692 6.948 6.948 2 U 9.650e+04 0.00e+00 e 0 1947 1951 1951 0 8148 119.692 8.457 6.948 2 U 3.790e+03 0.00e+00 e 0 1947 1938 1951 0 8151 132.681 4.277 6.410 1 U 1.040e+04 0.00e+00 e 0 393 1576 389 0 8152 132.681 4.045 6.410 1 U 3.931e+03 0.00e+00 e 0 393 1648 389 0 8153 115.448 4.277 6.231 1 U 1.140e+04 0.00e+00 e 0 395 1576 390 0 8154 132.681 6.992 6.410 1 U 7.390e+03 0.00e+00 e 0 393 0 389 0 8155 115.448 2.939 6.231 1 U 2.870e+03 0.00e+00 e 0 395 1664 390 0 8156 115.448 2.435 6.231 1 U 8.640e+02 0.00e+00 e 0 395 0 390 0 8157 115.448 2.191 6.231 1 U 7.720e+02 0.00e+00 e 0 395 0 390 0 8158 115.448 1.952 6.231 1 U 4.900e+03 0.00e+00 e 0 395 1660 390 0 8159 115.448 1.497 6.231 1 U 1.080e+04 0.00e+00 e 0 395 1656 390 0 8160 132.681 1.684 6.410 1 U 1.410e+03 0.00e+00 e 0 393 338 389 0 8161 132.681 0.906 6.410 1 U 2.020e+03 0.00e+00 e 0 393 0 389 0 8164 116.413 1.291 6.130 1 U 1.310e+04 0.00e+00 e 0 1546 708 1541 0 8165 116.413 0.918 6.130 1 U 7.510e+03 0.00e+00 e 0 1546 635 1541 0 8166 116.413 0.794 6.130 1 U 1.357e+04 0.00e+00 e 0 1546 1471 1541 0 8167 130.793 1.599 6.401 1 U 1.531e+03 0.00e+00 e 0 580 0 576 0 8168 130.793 1.469 6.401 1 U 1.080e+03 0.00e+00 e 0 580 647 576 0 8169 130.793 0.913 6.401 1 U 4.250e+03 0.00e+00 e 0 580 1561 576 0 8170 130.793 0.768 6.401 1 U 4.940e+03 0.00e+00 e 0 580 657 576 0 8171 130.793 0.508 6.401 1 U 4.660e+03 0.00e+00 e 0 580 648 576 0 8174 130.466 3.639 7.034 1 U 1.840e+03 0.00e+00 e 0 582 0 577 0 8175 130.466 2.642 7.034 1 U 2.200e+03 0.00e+00 e 0 582 573 577 0 8176 130.466 1.594 7.034 1 U 3.362e+03 0.00e+00 e 0 582 0 577 0 8178 129.092 1.594 7.138 1 U 1.900e+03 0.00e+00 e 0 584 0 585 0 8179 130.466 0.910 7.034 1 U 6.730e+03 0.00e+00 e 0 582 1561 577 0 8180 130.466 0.768 7.034 1 U 2.950e+03 0.00e+00 e 0 582 657 577 0 8181 130.466 0.496 7.034 1 U 1.770e+03 0.00e+00 e 0 582 648 577 0 8182 129.092 0.898 7.138 1 U 1.310e+03 0.00e+00 e 0 584 1561 585 0 8183 131.229 3.002 7.452 1 U 5.800e+03 0.00e+00 e 0 603 0 599 0 8185 131.229 2.311 7.452 1 U 2.020e+03 0.00e+00 e 0 603 0 599 0 8186 131.229 1.604 7.452 1 U 1.599e+04 0.00e+00 e 0 603 670 599 0 8187 130.588 2.677 7.475 1 U 3.100e+03 0.00e+00 e 0 605 0 600 0 8192 131.229 1.005 7.452 1 U 2.230e+03 0.00e+00 e 0 603 0 599 0 8194 129.365 0.894 7.360 1 U 1.060e+03 0.00e+00 e 0 607 0 608 0 8195 125.550 8.458 6.765 1 U 2.970e+03 0.00e+00 e 0 879 160 884 0 8196 125.550 5.197 6.765 1 U 2.540e+03 0.00e+00 e 0 879 166 884 0 8197 125.550 3.567 6.765 1 U 1.510e+03 0.00e+00 e 0 879 162 884 0 8198 125.550 2.518 6.765 1 U 1.950e+03 0.00e+00 e 0 879 148 884 0 8199 125.550 2.013 6.765 1 U 7.360e+03 0.00e+00 e 0 879 153 884 0 8200 125.550 0.968 6.765 1 U 1.560e+03 0.00e+00 e 0 879 1970 884 0 8201 125.550 0.643 6.765 1 U 1.020e+04 0.00e+00 e 0 879 93 884 0 8205 112.546 2.499 6.996 1 U 3.220e+03 0.00e+00 e 0 887 1969 891 0 8206 112.546 1.201 6.996 1 U 2.100e+04 0.00e+00 e 0 887 1971 891 0 8207 112.546 0.960 6.996 1 U 8.440e+03 0.00e+00 e 0 887 1970 891 0 8208 112.546 0.751 6.996 1 U 8.800e+02 0.00e+00 e 0 887 1274 891 0 8209 112.546 0.539 6.996 1 U 1.080e+03 0.00e+00 e 0 887 1320 891 0 8210 112.546 -0.001 6.996 1 U 4.850e+03 0.00e+00 e 0 887 1925 891 0 8212 121.731 3.779 6.733 1 U 1.680e+03 0.00e+00 e 0 890 1271 892 0 8214 112.546 3.889 6.996 1 U 1.190e+03 0.00e+00 e 0 887 1918 891 0 8215 121.731 2.414 6.733 1 U 1.510e+03 0.00e+00 e 0 890 1319 892 0 8216 121.731 1.331 6.733 1 U 4.280e+03 0.00e+00 e 0 890 1280 892 0 8217 121.731 1.199 6.733 1 U 6.332e+03 0.00e+00 e 0 890 1971 892 0 8218 121.731 0.967 6.733 1 U 1.260e+03 0.00e+00 e 0 890 1970 892 0 8219 121.731 0.754 6.733 1 U 5.350e+03 0.00e+00 e 0 890 1274 892 0 8220 121.731 0.544 6.733 1 U 5.870e+03 0.00e+00 e 0 890 1320 892 0 8221 121.731 0.319 6.733 1 U 1.840e+03 0.00e+00 e 0 890 930 892 0 8222 121.731 -0.004 6.733 1 U 1.180e+03 0.00e+00 e 0 890 1925 892 0 8223 112.546 0.341 6.996 1 U 6.230e+02 0.00e+00 e 0 887 930 891 0 8225 120.193 6.799 7.494 1 U 4.060e+03 0.00e+00 e 0 881 0 885 0 8226 120.193 3.201 7.494 1 U 1.170e+03 0.00e+00 e 0 881 897 885 0 8227 120.193 1.524 7.494 1 U 5.480e+03 0.00e+00 e 0 881 898 885 0 8229 120.317 3.781 7.020 1 U 5.990e+02 0.00e+00 e 0 886 1271 889 0 8230 120.193 3.079 7.494 1 U 8.900e+02 0.00e+00 e 0 881 875 885 0 8231 120.317 3.233 7.020 1 U 3.280e+03 0.00e+00 e 0 886 897 889 0 8232 120.317 2.420 7.020 1 U 3.710e+03 0.00e+00 e 0 886 1319 889 0 8233 120.317 1.528 7.020 1 U 1.430e+03 0.00e+00 e 0 886 898 889 0 8234 120.317 3.032 7.020 1 U 5.830e+03 0.00e+00 e 0 886 0 889 0 8236 120.317 1.328 7.020 1 U 1.340e+03 0.00e+00 e 0 886 1321 889 0 8237 120.317 0.751 7.020 1 U 2.710e+03 0.00e+00 e 0 886 1274 889 0 8238 120.317 0.554 7.020 1 U 1.160e+03 0.00e+00 e 0 886 1320 889 0 8239 120.193 0.739 7.494 1 U 6.080e+02 0.00e+00 e 0 881 1274 885 0 8240 120.193 0.542 7.494 1 U 6.870e+02 0.00e+00 e 0 881 1320 885 0 8241 120.193 0.298 7.494 1 U 1.950e+03 0.00e+00 e 0 881 217 885 0 8242 132.561 2.060 7.128 1 U 2.890e+03 0.00e+00 e 0 1164 0 1160 0 8243 132.561 2.171 7.128 1 U 3.620e+03 0.00e+00 e 0 1164 2024 1160 0 8244 132.561 1.395 7.128 1 U 1.150e+04 0.00e+00 e 0 1164 1958 1160 0 8245 132.561 1.215 7.128 1 U 5.030e+03 0.00e+00 e 0 1164 1133 1160 0 8247 132.561 4.048 7.128 1 U 7.700e+03 0.00e+00 e 0 1164 2021 1160 0 8251 117.630 4.062 6.740 1 U 4.940e+03 0.00e+00 e 0 1166 2021 1161 0 8252 117.630 3.421 6.740 1 U 2.410e+03 0.00e+00 e 0 1166 1158 1161 0 8253 117.630 3.265 6.740 1 U 7.280e+03 0.00e+00 e 0 1166 2079 1161 0 8254 117.630 2.809 6.740 1 U 5.533e+03 0.00e+00 e 0 1166 1157 1161 0 8255 117.630 2.636 6.740 1 U 1.810e+03 0.00e+00 e 0 1166 2013 1161 0 8256 117.630 2.067 6.740 1 U 8.200e+03 0.00e+00 e 0 1166 0 1161 0 8257 117.630 2.170 6.740 1 U 2.280e+03 0.00e+00 e 0 1166 2024 1161 0 8258 117.630 1.732 6.740 1 U 4.750e+03 0.00e+00 e 0 1166 2073 1161 0 8259 117.630 1.395 6.740 1 U 5.391e+03 0.00e+00 e 0 1166 1958 1161 0 8260 117.630 1.221 6.740 1 U 1.690e+03 0.00e+00 e 0 1166 1133 1161 0 8261 132.561 1.046 7.128 1 U 1.620e+03 0.00e+00 e 0 1164 1137 1160 0 8262 132.561 0.959 7.128 1 U 1.920e+03 0.00e+00 e 0 1164 1182 1160 0 8263 117.630 1.090 6.740 1 U 2.380e+03 0.00e+00 e 0 1166 1132 1161 0 8264 117.630 1.040 6.740 1 U 1.940e+03 0.00e+00 e 0 1166 1137 1161 0 8265 117.630 0.687 6.740 1 U 1.470e+03 0.00e+00 e 0 1166 1136 1161 0 8266 119.941 2.439 7.006 1 U 3.530e+03 0.00e+00 e 0 1203 1259 1207 0 8267 119.941 2.337 7.006 1 U 2.130e+03 0.00e+00 e 0 1203 0 1207 0 8268 119.941 2.076 7.006 1 U 5.960e+03 0.00e+00 e 0 1203 1240 1207 0 8276 130.618 2.722 6.918 1 U 1.070e+03 0.00e+00 e 0 1394 767 1390 0 8277 130.618 1.621 6.918 1 U 1.250e+04 0.00e+00 e 0 1394 828 1390 0 8278 130.537 2.698 7.445 1 U 0.000e+00 0.00e+00 - 0 1396 0 1391 0 8279 130.537 1.625 7.445 1 U 3.350e+03 0.00e+00 e 0 1396 828 1391 0 8280 130.618 0.843 6.918 1 U 6.500e+03 0.00e+00 e 0 1394 1845 1390 0 8281 130.618 0.738 6.918 1 U 1.750e+03 0.00e+00 e 0 1394 1453 1390 0 8282 130.618 0.295 6.918 1 U 7.120e+03 0.00e+00 e 0 1394 217 1390 0 8283 130.537 0.998 7.445 1 U 1.460e+03 0.00e+00 e 0 1396 216 1391 0 8285 130.537 0.283 7.445 1 U 2.040e+03 0.00e+00 e 0 1396 217 1391 0 8288 129.932 1.231 7.168 1 U 1.310e+03 0.00e+00 e 0 1398 265 1399 0 8289 129.932 0.766 7.168 1 U 3.500e+03 0.00e+00 e 0 1398 266 1399 0 8290 129.932 7.066 7.168 1 U 2.700e+03 0.00e+00 e 0 1398 0 1399 0 8291 133.541 4.633 7.425 1 U 3.965e+03 0.00e+00 e 0 546 537 542 0 8294 133.541 0.759 7.425 1 U 3.350e+03 0.00e+00 e 0 546 657 542 0 8301 117.620 2.755 6.984 1 U 3.600e+03 0.00e+00 e 0 548 541 543 0 8303 117.620 0.926 6.984 1 U 3.250e+03 0.00e+00 e 0 548 635 543 0 8304 117.715 6.411 6.969 1 U 3.804e+03 0.00e+00 e 0 1583 389 1587 0 8305 117.715 3.771 6.969 1 U 2.220e+03 0.00e+00 e 0 1583 384 1587 0 8307 118.585 1.011 6.885 1 U 1.660e+03 0.00e+00 e 0 1600 1493 1604 0 8308 118.585 0.876 6.885 1 U 1.391e+03 0.00e+00 r 0 1600 1622 1604 0 8309 130.035 4.479 7.075 1 U 3.080e+03 0.00e+00 e 0 1735 337 1730 0 8310 130.035 4.082 7.075 1 U 1.110e+03 0.00e+00 e 0 1735 1525 1730 0 8311 130.035 3.608 7.075 1 U 4.630e+03 0.00e+00 e 0 1735 1445 1730 0 8312 130.184 1.484 6.448 1 U 1.600e+03 0.00e+00 e 0 1733 1451 1729 0 8313 130.035 1.663 7.075 1 U 3.350e+03 0.00e+00 e 0 1735 338 1730 0 8314 130.035 1.488 7.075 1 U 1.350e+03 0.00e+00 e 0 1735 1451 1730 0 8315 130.035 2.381 7.075 1 U 1.565e+03 0.00e+00 r 0 1735 387 1730 0 8316 130.184 0.885 6.448 1 U 4.300e+03 0.00e+00 e 0 1733 1622 1729 0 8317 130.035 0.730 7.075 1 U 1.880e+03 0.00e+00 e 0 1735 1453 1730 0 8319 128.209 4.471 6.668 1 U 4.140e+03 0.00e+00 e 0 1737 337 1738 0 8320 128.209 4.071 6.668 1 U 1.560e+03 0.00e+00 e 0 1737 1525 1738 0 8321 128.209 1.675 6.668 1 U 1.220e+03 0.00e+00 e 0 1737 338 1738 0 8322 128.209 1.481 6.668 1 U 9.950e+02 0.00e+00 e 0 1737 1451 1738 0 8323 128.209 0.725 6.668 1 U 5.320e+03 0.00e+00 e 0 1737 1453 1738 0 8324 132.792 7.808 7.130 1 U 2.230e+03 0.00e+00 e 0 1891 1903 1887 0 8325 132.792 8.457 7.130 1 U 7.850e+03 0.00e+00 e 0 1891 1880 1887 0 8327 117.470 4.173 6.811 1 U 3.700e+03 0.00e+00 e 0 1893 1882 1888 0 8328 117.470 3.857 6.811 1 U 2.130e+03 0.00e+00 e 0 1893 1905 1888 0 8329 132.792 3.857 7.130 1 U 1.020e+04 0.00e+00 e 0 1891 1905 1887 0 8330 117.470 3.258 6.811 1 U 4.310e+03 0.00e+00 e 0 1893 1885 1888 0 8331 117.470 3.138 6.811 1 U 3.460e+03 0.00e+00 e 0 1893 1884 1888 0 8333 117.470 1.380 6.811 1 U 4.390e+03 0.00e+00 e 0 1893 1958 1888 0 8336 132.792 2.383 7.130 1 U 2.090e+03 0.00e+00 e 0 1891 0 1887 0 8337 117.470 2.368 6.811 1 U 4.760e+02 0.00e+00 e 0 1893 0 1888 0 8338 117.470 1.213 6.811 1 U 6.940e+02 0.00e+00 e 0 1893 0 1888 0 8341 132.792 1.053 7.130 1 U 1.170e+03 0.00e+00 e 0 1891 0 1887 0 8342 119.692 6.781 6.948 1 U 4.080e+03 0.00e+00 e 0 1947 0 1951 0 8343 119.692 3.881 6.948 1 U 3.470e+03 0.00e+00 e 0 1947 1860 1951 0 8344 119.692 1.439 6.948 1 U 7.200e+03 0.00e+00 e 0 1947 1862 1951 0 8345 119.692 1.633 6.948 1 U 1.440e+03 0.00e+00 e 0 1947 1924 1951 0 8346 119.692 1.975 6.948 1 U 2.290e+03 0.00e+00 e 0 1947 1863 1951 0 8347 119.692 0.975 6.948 1 U 4.280e+03 0.00e+00 e 0 1947 1867 1951 0 8348 119.692 0.871 6.948 1 U 3.430e+03 0.00e+00 e 0 1947 1868 1951 0 8349 119.692 0.306 6.948 1 U 1.530e+03 0.00e+00 e 0 1947 0 1951 0 8350 119.692 0.221 6.948 1 U 1.340e+03 0.00e+00 e 0 1947 238 1951 0 8351 132.681 8.456 6.410 1 U 8.730e+02 0.00e+00 e 0 393 382 389 0 8352 132.681 3.982 6.410 1 U 1.406e+03 0.00e+00 e 0 393 0 389 0 8353 132.681 4.510 6.410 1 U 3.760e+02 0.00e+00 e 0 393 337 389 0 8354 120.193 8.798 7.494 1 U 1.093e+03 0.00e+00 e 0 881 895 885 0 8355 130.537 0.844 7.445 1 U 1.803e+03 0.00e+00 e 0 1396 1845 1391 0 8356 130.537 0.742 7.445 1 U 1.170e+03 0.00e+00 e 0 1396 1453 1391 0 8357 131.229 2.685 7.452 1 U 1.433e+03 0.00e+00 e 0 603 0 599 0 8358 112.546 1.228 6.996 1 U 3.827e+03 0.00e+00 e 0 887 1908 891 0 8359 121.731 1.230 6.733 1 U 2.698e+03 0.00e+00 e 0 890 1908 892 0 8361 133.541 0.937 7.425 1 U 8.563e+03 0.00e+00 e 0 546 635 542 0 8362 118.585 7.000 6.885 1 U 3.718e+03 0.00e+00 r 0 1600 0 1604 0 8363 118.585 0.856 6.885 1 U 4.704e+03 0.00e+00 r 0 1600 1562 1604 0 8364 130.184 2.384 6.448 1 U 2.201e+03 0.00e+00 r 0 1733 1515 1729 0 8365 128.209 0.706 6.668 1 U 1.935e+03 0.00e+00 e 0 1737 1452 1738 0 8366 130.035 0.693 7.075 1 U 7.290e+02 0.00e+00 e 0 1735 1452 1730 0 8367 117.630 1.365 6.740 1 U 4.342e+03 0.00e+00 e 0 1166 1140 1161 0 8368 117.630 2.825 6.740 1 U 5.061e+03 0.00e+00 e 0 1166 1146 1161 0 8369 117.630 0.962 6.740 1 U 3.980e+02 0.00e+00 e 0 1166 0 1161 0 8370 132.415 3.686 6.393 1 U 0.000e+00 0.00e+00 - 0 1544 0 1540 0 8371 132.415 2.775 6.393 1 U 8.280e+02 0.00e+00 e 0 1544 1538 1540 0 8372 131.229 3.916 7.452 1 U 4.069e+03 0.00e+00 e 0 603 0 599 0 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -8.618 12.470 -21.289 2 2H MET 1 2HT MET 1 -7.895 13.916 -20.761 3 3H MET 1 3HT MET 1 -9.498 13.571 -20.345 4 HA MET 1 HA MET 1 -8.848 11.759 -18.975 5 1HB MET 1 2HB MET 1 -6.112 12.386 -20.063 6 2HB MET 1 1HB MET 1 -6.325 11.507 -18.556 7 1HG MET 1 2HG MET 1 -7.577 9.784 -19.737 8 2HG MET 1 1HG MET 1 -7.360 10.663 -21.251 9 1HE MET 1 1HE MET 1 -4.402 11.734 -21.034 10 2HE MET 1 2HE MET 1 -5.043 10.959 -22.482 11 3HE MET 1 3HE MET 1 -3.501 10.429 -21.810 12 H LEU 2 H LEU 2 -9.731 13.059 -17.417 13 HA LEU 2 HA LEU 2 -7.897 14.980 -16.153 14 1HB LEU 2 2HB LEU 2 -10.188 15.782 -16.671 15 2HB LEU 2 1HB LEU 2 -10.841 14.523 -15.640 16 HG LEU 2 HG LEU 2 -9.720 15.539 -13.695 17 1HD1 LEU 2 1HD1 LEU 2 -8.957 17.705 -15.647 18 2HD1 LEU 2 2HD1 LEU 2 -7.848 16.574 -14.873 19 3HD1 LEU 2 3HD1 LEU 2 -8.722 17.758 -13.900 20 1HD2 LEU 2 1HD2 LEU 2 -11.155 17.499 -13.520 21 2HD2 LEU 2 2HD2 LEU 2 -12.027 16.144 -14.238 22 3HD2 LEU 2 3HD2 LEU 2 -11.439 17.456 -15.259 23 H SER 3 H SER 3 -6.539 13.649 -15.043 24 HA SER 3 HA SER 3 -7.766 11.748 -13.163 25 1HB SER 3 2HB SER 3 -5.226 11.244 -14.713 26 2HB SER 3 1HB SER 3 -6.149 10.090 -13.749 27 HG SER 3 HG SER 3 -7.754 10.098 -15.273 28 H GLN 4 H GLN 4 -7.074 11.963 -11.123 29 HA GLN 4 HA GLN 4 -4.619 13.436 -10.560 30 1HB GLN 4 2HB GLN 4 -6.816 12.315 -8.822 31 2HB GLN 4 1HB GLN 4 -5.293 12.848 -8.129 32 1HG GLN 4 2HG GLN 4 -6.913 14.593 -7.907 33 2HG GLN 4 1HG GLN 4 -5.690 15.096 -9.067 34 1HE2 GLN 4 1HE2 GLN 4 -6.260 15.421 -11.185 35 2HE2 GLN 4 2HE2 GLN 4 -7.903 15.455 -11.719 36 H THR 5 H THR 5 -3.138 11.988 -11.465 37 HA THR 5 HA THR 5 -3.250 9.232 -11.350 38 HB THR 5 HB THR 5 -0.761 9.340 -11.861 39 HG1 THR 5 1HG THR 5 0.213 11.198 -11.612 40 1HG2 THR 5 1HG2 THR 5 -1.149 10.337 -14.090 41 2HG2 THR 5 2HG2 THR 5 -2.693 10.970 -13.519 42 3HG2 THR 5 3HG2 THR 5 -2.438 9.228 -13.618 43 H LEU 6 H LEU 6 -1.083 11.286 -9.363 44 HA LEU 6 HA LEU 6 -0.033 9.134 -7.886 45 1HB LEU 6 2HB LEU 6 0.997 11.398 -8.109 46 2HB LEU 6 1HB LEU 6 -0.226 12.016 -7.016 47 HG LEU 6 HG LEU 6 0.632 10.533 -5.237 48 1HD1 LEU 6 1HD1 LEU 6 2.747 9.370 -5.533 49 2HD1 LEU 6 2HD1 LEU 6 2.796 9.866 -7.224 50 3HD1 LEU 6 3HD1 LEU 6 1.537 8.765 -6.664 51 1HD2 LEU 6 1HD2 LEU 6 2.711 11.752 -4.830 52 2HD2 LEU 6 2HD2 LEU 6 1.437 12.827 -5.409 53 3HD2 LEU 6 3HD2 LEU 6 2.715 12.304 -6.505 54 H LEU 7 H LEU 7 -2.900 11.072 -7.450 55 HA LEU 7 HA LEU 7 -3.419 10.258 -4.761 56 1HB LEU 7 2HB LEU 7 -4.344 12.303 -6.053 57 2HB LEU 7 1HB LEU 7 -5.511 11.181 -6.720 58 HG LEU 7 HG LEU 7 -6.342 12.520 -4.788 59 1HD1 LEU 7 1HD1 LEU 7 -7.395 10.666 -3.596 60 2HD1 LEU 7 2HD1 LEU 7 -6.280 9.547 -4.379 61 3HD1 LEU 7 3HD1 LEU 7 -7.444 10.451 -5.346 62 1HD2 LEU 7 1HD2 LEU 7 -4.358 10.878 -3.237 63 2HD2 LEU 7 2HD2 LEU 7 -5.608 11.906 -2.535 64 3HD2 LEU 7 3HD2 LEU 7 -4.307 12.622 -3.487 65 H GLU 8 H GLU 8 -4.633 9.267 -7.942 66 HA GLU 8 HA GLU 8 -6.406 7.279 -7.081 67 1HB GLU 8 2HB GLU 8 -6.315 8.257 -9.363 68 2HB GLU 8 1HB GLU 8 -4.813 7.388 -9.650 69 1HG GLU 8 2HG GLU 8 -6.028 5.268 -9.278 70 2HG GLU 8 1HG GLU 8 -7.524 6.192 -9.150 71 H MET 9 H MET 9 -2.968 7.161 -7.900 72 HA MET 9 HA MET 9 -2.540 4.417 -7.630 73 1HB MET 9 2HB MET 9 -0.734 6.760 -7.016 74 2HB MET 9 1HB MET 9 -0.191 5.087 -6.986 75 1HG MET 9 2HG MET 9 -0.542 4.827 -9.302 76 2HG MET 9 1HG MET 9 -1.462 6.326 -9.404 77 1HE MET 9 1HE MET 9 2.131 4.792 -8.742 78 2HE MET 9 2HE MET 9 1.829 5.826 -7.345 79 3HE MET 9 3HE MET 9 3.074 6.267 -8.514 80 H THR 10 H THR 10 -2.523 6.972 -5.193 81 HA THR 10 HA THR 10 -1.871 5.323 -2.989 82 HB THR 10 HB THR 10 -3.420 7.926 -2.983 83 HG1 THR 10 1HG THR 10 -1.502 8.375 -3.977 84 1HG2 THR 10 1HG2 THR 10 -3.501 6.733 -0.849 85 2HG2 THR 10 2HG2 THR 10 -2.514 8.188 -0.721 86 3HG2 THR 10 3HG2 THR 10 -1.742 6.607 -0.845 87 H GLU 11 H GLU 11 -5.008 6.600 -4.152 88 HA GLU 11 HA GLU 11 -6.712 5.334 -2.380 89 1HB GLU 11 2HB GLU 11 -6.991 6.112 -5.264 90 2HB GLU 11 1HB GLU 11 -8.306 5.292 -4.436 91 1HG GLU 11 2HG GLU 11 -7.048 7.827 -3.434 92 2HG GLU 11 1HG GLU 11 -8.453 7.785 -4.503 93 H GLN 12 H GLN 12 -5.282 4.040 -5.343 94 HA GLN 12 HA GLN 12 -6.581 1.549 -5.340 95 1HB GLN 12 2HB GLN 12 -5.401 2.386 -7.293 96 2HB GLN 12 1HB GLN 12 -3.874 2.340 -6.423 97 1HG GLN 12 2HG GLN 12 -4.106 0.479 -7.977 98 2HG GLN 12 1HG GLN 12 -3.977 -0.072 -6.310 99 1HE2 GLN 12 1HE2 GLN 12 -4.929 -2.040 -6.810 100 2HE2 GLN 12 2HE2 GLN 12 -6.631 -2.190 -7.103 101 H MET 13 H MET 13 -3.478 2.569 -3.946 102 HA MET 13 HA MET 13 -2.720 0.038 -2.972 103 1HB MET 13 2HB MET 13 -1.956 2.814 -2.064 104 2HB MET 13 1HB MET 13 -1.210 1.350 -1.447 105 1HG MET 13 2HG MET 13 -0.554 0.775 -3.771 106 2HG MET 13 1HG MET 13 -1.169 2.344 -4.282 107 1HE MET 13 1HE MET 13 1.611 0.392 -2.387 108 2HE MET 13 2HE MET 13 0.855 1.266 -1.053 109 3HE MET 13 3HE MET 13 2.493 1.680 -1.566 110 H ILE 14 H ILE 14 -4.697 2.601 -1.593 111 HA ILE 14 HA ILE 14 -4.958 1.566 1.005 112 HB ILE 14 HB ILE 14 -6.937 3.183 -0.613 113 1HG1 ILE 14 2HG1 ILE 14 -4.944 4.028 1.503 114 2HG1 ILE 14 1HG1 ILE 14 -4.735 4.255 -0.228 115 1HG2 ILE 14 1HG2 ILE 14 -6.884 2.660 2.360 116 2HG2 ILE 14 2HG2 ILE 14 -8.064 2.024 1.215 117 3HG2 ILE 14 3HG2 ILE 14 -7.983 3.758 1.525 118 1HD1 ILE 14 1HD1 ILE 14 -6.889 5.491 1.465 119 2HD1 ILE 14 2HD1 ILE 14 -6.688 5.716 -0.273 120 3HD1 ILE 14 3HD1 ILE 14 -5.453 6.303 0.844 121 H GLU 15 H GLU 15 -6.791 0.940 -1.963 122 HA GLU 15 HA GLU 15 -8.721 -0.754 -0.771 123 1HB GLU 15 2HB GLU 15 -8.968 0.324 -3.017 124 2HB GLU 15 1HB GLU 15 -7.768 -0.801 -3.641 125 1HG GLU 15 2HG GLU 15 -9.316 -2.640 -2.764 126 2HG GLU 15 1HG GLU 15 -10.534 -1.375 -2.649 127 H VAL 16 H VAL 16 -5.623 -1.398 -2.389 128 HA VAL 16 HA VAL 16 -5.787 -4.203 -2.325 129 HB VAL 16 HB VAL 16 -3.278 -2.519 -2.191 130 1HG1 VAL 16 1HG1 VAL 16 -3.665 -5.394 -3.020 131 2HG1 VAL 16 2HG1 VAL 16 -2.865 -4.834 -1.553 132 3HG1 VAL 16 3HG1 VAL 16 -2.157 -4.485 -3.129 133 1HG2 VAL 16 1HG2 VAL 16 -4.763 -3.648 -4.561 134 2HG2 VAL 16 2HG2 VAL 16 -3.184 -2.865 -4.629 135 3HG2 VAL 16 3HG2 VAL 16 -4.605 -1.944 -4.134 136 H ALA 17 H ALA 17 -4.476 -1.892 0.025 137 HA ALA 17 HA ALA 17 -3.482 -3.720 1.891 138 1HB ALA 17 1HB ALA 17 -3.046 -1.300 1.967 139 2HB ALA 17 2HB ALA 17 -3.636 -1.916 3.509 140 3HB ALA 17 3HB ALA 17 -4.722 -1.024 2.444 141 H GLU 18 H GLU 18 -6.692 -2.155 1.778 142 HA GLU 18 HA GLU 18 -7.769 -3.612 3.926 143 1HB GLU 18 2HB GLU 18 -8.792 -1.848 1.792 144 2HB GLU 18 1HB GLU 18 -9.958 -2.948 2.505 145 1HG GLU 18 2HG GLU 18 -8.222 -1.070 4.079 146 2HG GLU 18 1HG GLU 18 -9.875 -0.720 3.583 147 H LYS 19 H LYS 19 -7.591 -4.302 0.471 148 HA LYS 19 HA LYS 19 -9.324 -6.525 0.460 149 1HB LYS 19 2HB LYS 19 -7.265 -5.432 -1.330 150 2HB LYS 19 1HB LYS 19 -7.463 -7.175 -1.437 151 1HG LYS 19 2HG LYS 19 -9.902 -6.810 -1.796 152 2HG LYS 19 1HG LYS 19 -9.574 -5.077 -1.869 153 1HD LYS 19 2HD LYS 19 -8.226 -5.330 -3.812 154 2HD LYS 19 1HD LYS 19 -8.202 -7.085 -3.643 155 1HE LYS 19 2HE LYS 19 -9.713 -6.466 -5.417 156 2HE LYS 19 1HE LYS 19 -10.632 -7.126 -4.066 157 1HZ LYS 19 1HZ LYS 19 -11.232 -4.906 -3.396 158 2HZ LYS 19 2HZ LYS 19 -11.657 -5.142 -5.018 159 3HZ LYS 19 3HZ LYS 19 -10.280 -4.229 -4.632 160 H GLY 20 H GLY 20 -5.817 -6.285 0.965 161 1HA GLY 20 2HA GLY 20 -5.371 -9.052 1.359 162 2HA GLY 20 1HA GLY 20 -4.326 -7.753 1.915 163 H ALA 21 H ALA 21 -6.085 -6.419 3.609 164 HA ALA 21 HA ALA 21 -5.929 -7.951 5.973 165 1HB ALA 21 1HB ALA 21 -5.867 -5.512 5.986 166 2HB ALA 21 2HB ALA 21 -7.166 -6.113 7.016 167 3HB ALA 21 3HB ALA 21 -7.537 -5.459 5.421 168 H ASP 22 H ASP 22 -8.615 -7.163 3.819 169 HA ASP 22 HA ASP 22 -10.647 -8.476 5.281 170 1HB ASP 22 2HB ASP 22 -11.176 -6.830 3.569 171 2HB ASP 22 1HB ASP 22 -10.421 -7.829 2.334 172 H ARG 23 H ARG 23 -8.434 -9.518 2.760 173 HA ARG 23 HA ARG 23 -9.510 -12.012 2.135 174 1HB ARG 23 2HB ARG 23 -7.401 -10.605 1.256 175 2HB ARG 23 1HB ARG 23 -6.552 -11.750 2.281 176 1HG ARG 23 2HG ARG 23 -6.549 -12.642 0.096 177 2HG ARG 23 1HG ARG 23 -7.714 -13.587 1.028 178 1HD ARG 23 2HD ARG 23 -9.552 -12.391 0.057 179 2HD ARG 23 1HD ARG 23 -8.458 -11.262 -0.740 180 HE ARG 23 HE ARG 23 -8.568 -14.132 -1.424 181 1HH1 ARG 23 1HH1 ARG 23 -8.434 -10.763 -2.347 182 2HH1 ARG 23 2HH1 ARG 23 -8.316 -11.093 -4.046 183 1HH2 ARG 23 1HH2 ARG 23 -8.436 -14.584 -3.649 184 2HH2 ARG 23 2HH2 ARG 23 -8.347 -13.275 -4.797 185 H TYR 24 H TYR 24 -7.098 -11.128 4.570 186 HA TYR 24 HA TYR 24 -6.911 -13.771 5.652 187 1HB TYR 24 2HB TYR 24 -5.007 -12.273 5.805 188 2HB TYR 24 1HB TYR 24 -5.959 -11.100 6.711 189 HD1 TYR 24 1HD TYR 24 -6.199 -11.278 9.059 190 HD2 TYR 24 2HD TYR 24 -4.465 -14.489 6.868 191 HE1 TYR 24 1HE TYR 24 -5.539 -12.356 11.168 192 HE2 TYR 24 2HE TYR 24 -3.797 -15.570 8.972 193 HH TYR 24 HH TYR 24 -3.314 -14.809 11.361 194 H GLN 25 H GLN 25 -8.759 -10.892 6.360 195 HA GLN 25 HA GLN 25 -9.604 -11.440 8.958 196 1HB GLN 25 2HB GLN 25 -9.945 -9.293 7.773 197 2HB GLN 25 1HB GLN 25 -11.153 -10.067 6.758 198 1HG GLN 25 2HG GLN 25 -12.481 -10.540 8.803 199 2HG GLN 25 1HG GLN 25 -11.310 -9.598 9.726 200 1HE2 GLN 25 1HE2 GLN 25 -10.932 -7.757 7.448 201 2HE2 GLN 25 2HE2 GLN 25 -12.322 -6.730 7.449 202 H GLU 26 H GLU 26 -11.239 -12.202 5.884 203 HA GLU 26 HA GLU 26 -13.255 -13.729 7.277 204 1HB GLU 26 2HB GLU 26 -13.707 -12.319 5.228 205 2HB GLU 26 1HB GLU 26 -12.826 -13.516 4.292 206 1HG GLU 26 2HG GLU 26 -15.078 -14.448 5.991 207 2HG GLU 26 1HG GLU 26 -15.454 -13.565 4.515 208 H GLY 27 H GLY 27 -10.442 -14.323 5.258 209 1HA GLY 27 2HA GLY 27 -10.802 -16.843 4.310 210 2HA GLY 27 1HA GLY 27 -9.236 -16.209 4.768 211 H LYS 28 H LYS 28 -11.973 -18.068 5.766 212 HA LYS 28 HA LYS 28 -10.731 -20.076 7.163 213 1HB LYS 28 2HB LYS 28 -9.975 -18.369 8.785 214 2HB LYS 28 1HB LYS 28 -11.635 -17.835 9.005 215 1HG LYS 28 2HG LYS 28 -12.192 -20.072 9.902 216 2HG LYS 28 1HG LYS 28 -10.488 -20.511 9.775 217 1HD LYS 28 2HD LYS 28 -9.887 -18.764 11.334 218 2HD LYS 28 1HD LYS 28 -11.558 -18.203 11.395 219 1HE LYS 28 2HE LYS 28 -12.237 -20.370 12.330 220 2HE LYS 28 1HE LYS 28 -10.555 -20.899 12.302 221 1HZ LYS 28 1HZ LYS 28 -11.237 -20.110 14.497 222 2HZ LYS 28 2HZ LYS 28 -11.594 -18.583 13.849 223 3HZ LYS 28 3HZ LYS 28 -9.996 -19.150 13.853 224 H ASN 29 H ASN 29 -13.383 -17.833 6.929 225 HA ASN 29 HA ASN 29 -15.372 -19.664 7.908 226 1HB ASN 29 2HB ASN 29 -15.573 -17.207 8.163 227 2HB ASN 29 1HB ASN 29 -15.689 -17.049 6.413 228 1HD2 ASN 29 1HD2 ASN 29 -17.599 -17.541 5.399 229 2HD2 ASN 29 2HD2 ASN 29 -19.065 -17.882 6.255 230 H SER 30 H SER 30 -14.686 -18.204 4.719 231 HA SER 30 HA SER 30 -16.353 -20.196 3.414 232 1HB SER 30 2HB SER 30 -14.557 -18.175 2.069 233 2HB SER 30 1HB SER 30 -15.996 -18.958 1.413 234 HG SER 30 HG SER 30 -15.763 -16.703 2.914 235 H ASN 31 H ASN 31 -15.611 -21.719 1.894 236 HA ASN 31 HA ASN 31 -13.057 -22.880 2.362 237 1HB ASN 31 2HB ASN 31 -15.013 -23.352 0.093 238 2HB ASN 31 1HB ASN 31 -13.588 -24.334 0.416 239 1HD2 ASN 31 1HD2 ASN 31 -16.326 -25.169 0.317 240 2HD2 ASN 31 2HD2 ASN 31 -16.708 -25.816 1.881 241 H HIS 32 H HIS 32 -11.246 -21.897 1.775 242 HA HIS 32 HA HIS 32 -11.290 -20.310 -0.704 243 1HB HIS 32 2HB HIS 32 -9.385 -19.010 0.354 244 2HB HIS 32 1HB HIS 32 -10.965 -18.797 1.092 245 HD1 HIS 32 1HD HIS 32 -11.341 -20.119 3.409 246 HD2 HIS 32 2HD HIS 32 -7.413 -19.859 2.050 247 HE1 HIS 32 1HE HIS 32 -9.891 -20.653 5.398 248 HE2 HIS 32 2HE HIS 32 -7.532 -20.650 4.512 249 H SER 33 H SER 33 -10.573 -21.704 -2.180 250 HA SER 33 HA SER 33 -8.057 -23.113 -1.681 251 1HB SER 33 2HB SER 33 -8.715 -24.331 -3.825 252 2HB SER 33 1HB SER 33 -9.755 -24.607 -2.427 253 HG SER 33 HG SER 33 -10.239 -22.801 -4.566 254 H TYR 34 H TYR 34 -6.240 -22.328 -2.523 255 HA TYR 34 HA TYR 34 -6.314 -20.972 -5.104 256 1HB TYR 34 2HB TYR 34 -4.950 -19.085 -4.297 257 2HB TYR 34 1HB TYR 34 -6.523 -19.132 -3.511 258 HD1 TYR 34 1HD TYR 34 -2.918 -19.437 -3.046 259 HD2 TYR 34 2HD TYR 34 -6.707 -19.723 -1.132 260 HE1 TYR 34 1HE TYR 34 -1.811 -19.330 -0.853 261 HE2 TYR 34 2HE TYR 34 -5.609 -19.622 1.066 262 HH TYR 34 HH TYR 34 -2.306 -18.764 1.441 263 H ASP 35 H ASP 35 -4.186 -20.765 -6.080 264 HA ASP 35 HA ASP 35 -2.234 -22.632 -4.901 265 1HB ASP 35 2HB ASP 35 -1.599 -23.395 -7.081 266 2HB ASP 35 1HB ASP 35 -3.350 -23.514 -6.977 267 H PHE 36 H PHE 36 -0.167 -21.953 -4.768 268 HA PHE 36 HA PHE 36 0.259 -19.121 -5.164 269 1HB PHE 36 2HB PHE 36 0.958 -20.321 -3.072 270 2HB PHE 36 1HB PHE 36 2.168 -21.174 -4.022 271 HD1 PHE 36 1HD PHE 36 4.259 -20.180 -4.495 272 HD2 PHE 36 2HD PHE 36 1.113 -17.829 -2.854 273 HE1 PHE 36 1HE PHE 36 5.841 -18.334 -4.112 274 HE2 PHE 36 2HE PHE 36 2.690 -15.984 -2.466 275 HZ PHE 36 HZ PHE 36 5.056 -16.233 -3.096 276 H PHE 37 H PHE 37 0.111 -19.373 -7.544 277 HA PHE 37 HA PHE 37 2.699 -19.077 -8.631 278 1HB PHE 37 2HB PHE 37 2.591 -21.579 -8.519 279 2HB PHE 37 1HB PHE 37 1.237 -21.521 -9.641 280 HD1 PHE 37 1HD PHE 37 4.767 -20.395 -9.300 281 HD2 PHE 37 2HD PHE 37 1.648 -21.648 -11.915 282 HE1 PHE 37 1HE PHE 37 6.352 -20.405 -11.181 283 HE2 PHE 37 2HE PHE 37 3.228 -21.651 -13.802 284 HZ PHE 37 HZ PHE 37 5.582 -21.032 -13.434 285 H GLU 38 H GLU 38 -0.644 -19.978 -9.556 286 HA GLU 38 HA GLU 38 -0.443 -18.890 -12.140 287 1HB GLU 38 2HB GLU 38 -2.104 -20.563 -11.587 288 2HB GLU 38 1HB GLU 38 -2.893 -19.432 -10.505 289 1HG GLU 38 2HG GLU 38 -3.464 -17.994 -12.372 290 2HG GLU 38 1HG GLU 38 -2.615 -19.076 -13.475 291 H THR 39 H THR 39 -2.602 -17.594 -9.608 292 HA THR 39 HA THR 39 -2.747 -15.116 -11.082 293 HB THR 39 HB THR 39 -4.779 -16.092 -10.123 294 HG1 THR 39 1HG THR 39 -4.019 -13.546 -9.887 295 1HG2 THR 39 1HG2 THR 39 -5.168 -16.039 -7.702 296 2HG2 THR 39 2HG2 THR 39 -3.501 -15.521 -7.450 297 3HG2 THR 39 3HG2 THR 39 -3.837 -17.113 -8.130 298 H ILE 40 H ILE 40 -0.786 -16.293 -8.594 299 HA ILE 40 HA ILE 40 -0.517 -13.717 -7.281 300 HB ILE 40 HB ILE 40 0.850 -16.342 -6.664 301 1HG1 ILE 40 2HG1 ILE 40 -1.547 -14.961 -5.433 302 2HG1 ILE 40 1HG1 ILE 40 -1.564 -16.462 -6.350 303 1HG2 ILE 40 1HG2 ILE 40 1.423 -15.297 -4.518 304 2HG2 ILE 40 2HG2 ILE 40 0.721 -13.779 -5.079 305 3HG2 ILE 40 3HG2 ILE 40 2.149 -14.437 -5.877 306 1HD1 ILE 40 1HD1 ILE 40 -0.292 -16.024 -3.658 307 2HD1 ILE 40 2HD1 ILE 40 -0.223 -17.521 -4.583 308 3HD1 ILE 40 3HD1 ILE 40 -1.772 -16.921 -3.995 309 H LYS 41 H LYS 41 1.151 -15.635 -9.646 310 HA LYS 41 HA LYS 41 3.737 -14.616 -9.437 311 1HB LYS 41 2HB LYS 41 3.079 -16.510 -10.897 312 2HB LYS 41 1HB LYS 41 2.294 -15.373 -11.983 313 1HG LYS 41 2HG LYS 41 4.427 -15.957 -12.885 314 2HG LYS 41 1HG LYS 41 4.481 -14.277 -12.346 315 1HD LYS 41 2HD LYS 41 5.602 -14.973 -10.285 316 2HD LYS 41 1HD LYS 41 5.542 -16.655 -10.818 317 1HE LYS 41 2HE LYS 41 7.738 -15.729 -11.249 318 2HE LYS 41 1HE LYS 41 6.918 -16.063 -12.773 319 1HZ LYS 41 1HZ LYS 41 6.390 -13.736 -12.996 320 2HZ LYS 41 2HZ LYS 41 8.063 -13.904 -12.751 321 3HZ LYS 41 3HZ LYS 41 7.066 -13.390 -11.479 322 HA PRO 42 HA PRO 42 2.521 -10.988 -12.393 323 1HB PRO 42 2HB PRO 42 -0.124 -10.470 -12.746 324 2HB PRO 42 1HB PRO 42 0.809 -11.505 -13.830 325 1HG PRO 42 2HG PRO 42 -1.030 -12.269 -11.600 326 2HG PRO 42 1HG PRO 42 -0.863 -12.986 -13.213 327 1HD PRO 42 2HD PRO 42 0.243 -14.098 -11.010 328 2HD PRO 42 1HD PRO 42 0.989 -14.215 -12.616 329 H ALA 43 H ALA 43 0.312 -11.725 -9.737 330 HA ALA 43 HA ALA 43 -0.414 -9.137 -8.990 331 1HB ALA 43 1HB ALA 43 -0.990 -10.084 -6.819 332 2HB ALA 43 2HB ALA 43 -0.077 -11.542 -7.205 333 3HB ALA 43 3HB ALA 43 -1.523 -11.137 -8.130 334 H VAL 44 H VAL 44 2.398 -11.064 -8.057 335 HA VAL 44 HA VAL 44 3.441 -9.259 -6.160 336 HB VAL 44 HB VAL 44 4.934 -11.218 -7.919 337 1HG1 VAL 44 1HG1 VAL 44 6.716 -11.078 -6.243 338 2HG1 VAL 44 2HG1 VAL 44 5.823 -9.806 -5.407 339 3HG1 VAL 44 3HG1 VAL 44 6.440 -9.527 -7.034 340 1HG2 VAL 44 1HG2 VAL 44 4.886 -12.668 -5.939 341 2HG2 VAL 44 2HG2 VAL 44 3.264 -12.304 -6.532 342 3HG2 VAL 44 3HG2 VAL 44 3.889 -11.478 -5.104 343 H GLU 45 H GLU 45 3.984 -9.593 -9.651 344 HA GLU 45 HA GLU 45 5.976 -7.652 -9.909 345 1HB GLU 45 2HB GLU 45 3.930 -8.643 -11.884 346 2HB GLU 45 1HB GLU 45 5.267 -7.587 -12.304 347 1HG GLU 45 2HG GLU 45 5.405 -10.406 -11.288 348 2HG GLU 45 1HG GLU 45 5.901 -9.793 -12.865 349 H GLU 46 H GLU 46 2.449 -7.399 -10.249 350 HA GLU 46 HA GLU 46 2.242 -4.768 -11.044 351 1HB GLU 46 2HB GLU 46 0.415 -6.248 -9.150 352 2HB GLU 46 1HB GLU 46 0.004 -4.879 -10.142 353 1HG GLU 46 2HG GLU 46 0.772 -7.591 -11.160 354 2HG GLU 46 1HG GLU 46 -0.866 -6.951 -11.071 355 H ASN 47 H ASN 47 2.009 -6.038 -7.742 356 HA ASN 47 HA ASN 47 1.934 -3.535 -6.460 357 1HB ASN 47 2HB ASN 47 2.605 -6.301 -5.477 358 2HB ASN 47 1HB ASN 47 2.657 -4.904 -4.407 359 1HD2 ASN 47 1HD2 ASN 47 0.620 -7.040 -6.250 360 2HD2 ASN 47 2HD2 ASN 47 -0.879 -6.524 -5.558 361 H ASP 48 H ASP 48 4.645 -5.668 -7.238 362 HA ASP 48 HA ASP 48 6.674 -4.322 -5.877 363 1HB ASP 48 2HB ASP 48 6.980 -6.526 -6.916 364 2HB ASP 48 1HB ASP 48 6.823 -5.806 -8.513 365 H GLU 49 H GLU 49 5.593 -3.909 -9.247 366 HA GLU 49 HA GLU 49 7.217 -1.671 -9.811 367 1HB GLU 49 2HB GLU 49 4.678 -2.716 -11.033 368 2HB GLU 49 1HB GLU 49 5.518 -1.303 -11.661 369 1HG GLU 49 2HG GLU 49 6.898 -3.934 -11.294 370 2HG GLU 49 1HG GLU 49 5.989 -3.548 -12.745 371 H LEU 50 H LEU 50 3.944 -2.016 -8.582 372 HA LEU 50 HA LEU 50 3.045 0.618 -8.773 373 1HB LEU 50 2HB LEU 50 1.791 -1.537 -8.126 374 2HB LEU 50 1HB LEU 50 2.354 -1.225 -6.501 375 HG LEU 50 HG LEU 50 1.201 1.007 -6.617 376 1HD1 LEU 50 1HD1 LEU 50 0.023 -0.197 -9.118 377 2HD1 LEU 50 2HD1 LEU 50 1.078 1.217 -9.037 378 3HD1 LEU 50 3HD1 LEU 50 -0.537 1.279 -8.326 379 1HD2 LEU 50 1HD2 LEU 50 -1.036 0.069 -6.248 380 2HD2 LEU 50 2HD2 LEU 50 0.211 -0.884 -5.442 381 3HD2 LEU 50 3HD2 LEU 50 -0.505 -1.461 -6.947 382 H ALA 51 H ALA 51 4.502 -1.053 -5.992 383 HA ALA 51 HA ALA 51 4.516 1.165 -4.262 384 1HB ALA 51 1HB ALA 51 6.043 -0.129 -2.887 385 2HB ALA 51 2HB ALA 51 6.354 -1.228 -4.230 386 3HB ALA 51 3HB ALA 51 4.750 -1.161 -3.499 387 H ALA 52 H ALA 52 6.965 -0.076 -6.497 388 HA ALA 52 HA ALA 52 9.044 1.671 -5.758 389 1HB ALA 52 1HB ALA 52 9.400 -0.352 -7.086 390 2HB ALA 52 2HB ALA 52 10.059 1.072 -7.892 391 3HB ALA 52 3HB ALA 52 8.532 0.378 -8.436 392 H ARG 53 H ARG 53 6.451 1.964 -8.161 393 HA ARG 53 HA ARG 53 7.365 4.386 -9.285 394 1HB ARG 53 2HB ARG 53 5.893 2.661 -10.340 395 2HB ARG 53 1HB ARG 53 4.606 3.162 -9.254 396 1HG ARG 53 2HG ARG 53 4.211 4.204 -11.276 397 2HG ARG 53 1HG ARG 53 4.854 5.448 -10.209 398 1HD ARG 53 2HD ARG 53 7.075 5.138 -11.226 399 2HD ARG 53 1HD ARG 53 6.392 3.939 -12.323 400 HE ARG 53 HE ARG 53 5.460 6.736 -12.313 401 1HH1 ARG 53 1HH1 ARG 53 6.664 3.913 -14.013 402 2HH1 ARG 53 2HH1 ARG 53 6.559 4.664 -15.577 403 1HH2 ARG 53 1HH2 ARG 53 5.286 7.704 -14.348 404 2HH2 ARG 53 2HH2 ARG 53 5.726 6.814 -15.781 405 H TRP 54 H TRP 54 4.957 3.520 -6.831 406 HA TRP 54 HA TRP 54 3.890 6.087 -6.430 407 1HB TRP 54 2HB TRP 54 2.830 4.000 -5.626 408 2HB TRP 54 1HB TRP 54 4.112 3.821 -4.434 409 HD1 TRP 54 HD TRP 54 1.109 6.101 -5.247 410 HE1 TRP 54 1HE TRP 54 0.346 7.249 -3.070 411 HE3 TRP 54 3HE TRP 54 4.823 4.472 -2.138 412 HZ2 TRP 54 2HZ TRP 54 1.215 7.442 -0.395 413 HZ3 TRP 54 3HZ TRP 54 4.788 5.185 0.217 414 HH2 TRP 54 HH TRP 54 3.019 6.639 1.068 415 H ALA 55 H ALA 55 6.483 4.363 -4.719 416 HA ALA 55 HA ALA 55 7.076 6.288 -2.804 417 1HB ALA 55 1HB ALA 55 8.013 4.021 -2.794 418 2HB ALA 55 2HB ALA 55 9.273 5.246 -2.637 419 3HB ALA 55 3HB ALA 55 9.019 4.433 -4.182 420 H GLU 56 H GLU 56 8.387 5.918 -6.078 421 HA GLU 56 HA GLU 56 10.214 8.020 -6.064 422 1HB GLU 56 2HB GLU 56 9.257 6.131 -7.868 423 2HB GLU 56 1HB GLU 56 8.831 7.665 -8.609 424 1HG GLU 56 2HG GLU 56 11.586 7.347 -7.573 425 2HG GLU 56 1HG GLU 56 11.140 6.475 -9.036 426 H GLY 57 H GLY 57 6.768 8.014 -6.975 427 1HA GLY 57 2HA GLY 57 6.718 10.773 -7.683 428 2HA GLY 57 1HA GLY 57 5.318 9.760 -7.379 429 H ALA 58 H ALA 58 5.771 9.033 -4.740 430 HA ALA 58 HA ALA 58 4.736 11.253 -3.356 431 1HB ALA 58 1HB ALA 58 4.298 8.943 -2.684 432 2HB ALA 58 2HB ALA 58 4.954 9.889 -1.348 433 3HB ALA 58 3HB ALA 58 5.989 8.755 -2.217 434 H LEU 59 H LEU 59 7.985 9.833 -3.414 435 HA LEU 59 HA LEU 59 9.184 11.506 -1.530 436 1HB LEU 59 2HB LEU 59 10.176 9.914 -3.861 437 2HB LEU 59 1HB LEU 59 11.269 10.921 -2.956 438 HG LEU 59 HG LEU 59 9.642 8.647 -1.830 439 1HD1 LEU 59 1HD1 LEU 59 11.807 7.532 -1.567 440 2HD1 LEU 59 2HD1 LEU 59 12.596 8.878 -2.390 441 3HD1 LEU 59 3HD1 LEU 59 11.442 7.868 -3.259 442 1HD2 LEU 59 1HD2 LEU 59 11.724 10.389 -0.515 443 2HD2 LEU 59 2HD2 LEU 59 10.943 8.982 0.208 444 3HD2 LEU 59 3HD2 LEU 59 9.992 10.414 -0.185 445 H GLU 60 H GLU 60 8.612 11.897 -4.971 446 HA GLU 60 HA GLU 60 10.107 14.281 -5.296 447 1HB GLU 60 2HB GLU 60 9.219 12.733 -7.130 448 2HB GLU 60 1HB GLU 60 7.660 13.504 -6.886 449 1HG GLU 60 2HG GLU 60 8.715 14.552 -8.740 450 2HG GLU 60 1HG GLU 60 8.718 15.690 -7.393 451 H LEU 61 H LEU 61 6.689 13.629 -4.625 452 HA LEU 61 HA LEU 61 5.762 16.267 -4.736 453 1HB LEU 61 2HB LEU 61 4.280 14.323 -4.749 454 2HB LEU 61 1HB LEU 61 4.718 13.963 -3.089 455 HG LEU 61 HG LEU 61 3.725 16.150 -2.410 456 1HD1 LEU 61 1HD1 LEU 61 2.250 17.306 -3.968 457 2HD1 LEU 61 2HD1 LEU 61 2.725 16.197 -5.254 458 3HD1 LEU 61 3HD1 LEU 61 3.911 17.297 -4.557 459 1HD2 LEU 61 1HD2 LEU 61 2.470 14.089 -2.172 460 2HD2 LEU 61 2HD2 LEU 61 1.898 14.222 -3.837 461 3HD2 LEU 61 3HD2 LEU 61 1.397 15.412 -2.634 462 H ILE 62 H ILE 62 6.918 14.390 -1.929 463 HA ILE 62 HA ILE 62 6.397 16.504 -0.091 464 HB ILE 62 HB ILE 62 7.678 15.214 1.542 465 1HG1 ILE 62 2HG1 ILE 62 8.233 13.305 -0.740 466 2HG1 ILE 62 1HG1 ILE 62 9.423 14.369 0.001 467 1HG2 ILE 62 1HG2 ILE 62 6.251 13.224 1.564 468 2HG2 ILE 62 2HG2 ILE 62 5.784 13.545 -0.105 469 3HG2 ILE 62 3HG2 ILE 62 5.338 14.681 1.169 470 1HD1 ILE 62 1HD1 ILE 62 9.625 12.094 0.833 471 2HD1 ILE 62 2HD1 ILE 62 7.952 12.144 1.388 472 3HD1 ILE 62 3HD1 ILE 62 9.155 13.202 2.123 473 H LYS 63 H LYS 63 8.949 15.873 -2.283 474 HA LYS 63 HA LYS 63 10.855 17.562 -0.932 475 1HB LYS 63 2HB LYS 63 11.677 15.752 -2.353 476 2HB LYS 63 1HB LYS 63 10.853 16.440 -3.747 477 1HG LYS 63 2HG LYS 63 12.751 18.216 -2.351 478 2HG LYS 63 1HG LYS 63 13.448 16.840 -3.209 479 1HD LYS 63 2HD LYS 63 12.690 17.582 -5.270 480 2HD LYS 63 1HD LYS 63 11.418 18.573 -4.556 481 1HE LYS 63 2HE LYS 63 14.335 19.178 -4.162 482 2HE LYS 63 1HE LYS 63 13.428 19.791 -5.542 483 1HZ LYS 63 1HZ LYS 63 12.754 20.287 -2.686 484 2HZ LYS 63 2HZ LYS 63 11.902 20.879 -4.026 485 3HZ LYS 63 3HZ LYS 63 13.489 21.402 -3.736 486 H VAL 64 H VAL 64 8.609 17.839 -3.651 487 HA VAL 64 HA VAL 64 9.250 20.531 -4.280 488 HB VAL 64 HB VAL 64 6.674 19.026 -4.778 489 1HG1 VAL 64 1HG1 VAL 64 6.334 21.422 -4.946 490 2HG1 VAL 64 2HG1 VAL 64 6.292 20.689 -6.549 491 3HG1 VAL 64 3HG1 VAL 64 7.726 21.565 -6.018 492 1HG2 VAL 64 1HG2 VAL 64 8.620 17.935 -5.785 493 2HG2 VAL 64 2HG2 VAL 64 9.057 19.447 -6.579 494 3HG2 VAL 64 3HG2 VAL 64 7.560 18.626 -7.015 495 H ARG 65 H ARG 65 6.566 19.103 -2.423 496 HA ARG 65 HA ARG 65 5.824 21.713 -1.385 497 1HB ARG 65 2HB ARG 65 4.124 19.981 -2.056 498 2HB ARG 65 1HB ARG 65 4.673 18.992 -0.711 499 1HG ARG 65 2HG ARG 65 2.928 19.979 0.315 500 2HG ARG 65 1HG ARG 65 4.127 21.233 0.625 501 1HD ARG 65 2HD ARG 65 2.130 21.198 -1.635 502 2HD ARG 65 1HD ARG 65 2.032 22.184 -0.179 503 HE ARG 65 HE ARG 65 4.393 22.538 -1.842 504 1HH1 ARG 65 1HH1 ARG 65 1.230 23.684 -0.885 505 2HH1 ARG 65 2HH1 ARG 65 1.457 25.272 -1.559 506 1HH2 ARG 65 1HH2 ARG 65 4.710 24.620 -2.727 507 2HH2 ARG 65 2HH2 ARG 65 3.429 25.799 -2.623 508 H ARG 66 H ARG 66 5.385 19.156 0.809 509 HA ARG 66 HA ARG 66 7.751 18.897 2.194 510 1HB ARG 66 2HB ARG 66 7.440 21.424 2.513 511 2HB ARG 66 1HB ARG 66 6.060 21.022 3.527 512 1HG ARG 66 2HG ARG 66 7.723 21.247 5.091 513 2HG ARG 66 1HG ARG 66 7.773 19.511 4.781 514 1HD ARG 66 2HD ARG 66 9.634 21.641 3.745 515 2HD ARG 66 1HD ARG 66 10.023 20.270 4.781 516 HE ARG 66 HE ARG 66 9.152 19.050 2.564 517 1HH1 ARG 66 1HH1 ARG 66 11.472 21.624 3.047 518 2HH1 ARG 66 2HH1 ARG 66 12.368 21.258 1.606 519 1HH2 ARG 66 1HH2 ARG 66 10.311 18.579 0.657 520 2HH2 ARG 66 2HH2 ARG 66 11.694 19.546 0.235 521 HA PRO 67 HA PRO 67 4.750 16.001 3.824 522 1HB PRO 67 2HB PRO 67 6.460 14.787 5.601 523 2HB PRO 67 1HB PRO 67 6.357 14.379 3.887 524 1HG PRO 67 2HG PRO 67 8.326 16.114 5.309 525 2HG PRO 67 1HG PRO 67 8.594 14.960 3.991 526 1HD PRO 67 2HD PRO 67 8.491 17.624 3.575 527 2HD PRO 67 1HD PRO 67 7.906 16.455 2.373 528 H LYS 68 H LYS 68 3.309 17.158 4.991 529 HA LYS 68 HA LYS 68 4.156 18.421 7.490 530 1HB LYS 68 2HB LYS 68 2.785 19.688 5.868 531 2HB LYS 68 1HB LYS 68 1.490 18.516 6.067 532 1HG LYS 68 2HG LYS 68 1.253 19.140 8.401 533 2HG LYS 68 1HG LYS 68 2.596 20.275 8.248 534 1HD LYS 68 2HD LYS 68 1.319 21.533 6.566 535 2HD LYS 68 1HD LYS 68 -0.027 20.409 6.760 536 1HE LYS 68 2HE LYS 68 -0.430 22.429 8.043 537 2HE LYS 68 1HE LYS 68 -0.209 21.052 9.121 538 1HZ LYS 68 1HZ LYS 68 1.855 23.094 8.472 539 2HZ LYS 68 2HZ LYS 68 2.072 21.768 9.509 540 3HZ LYS 68 3HZ LYS 68 0.976 22.994 9.918 541 H TYR 69 H TYR 69 1.626 16.175 6.365 542 HA TYR 69 HA TYR 69 1.168 15.380 9.152 543 1HB TYR 69 2HB TYR 69 -0.423 15.046 6.621 544 2HB TYR 69 1HB TYR 69 -0.758 14.052 8.034 545 HD1 TYR 69 1HD TYR 69 -1.707 15.026 10.043 546 HD2 TYR 69 2HD TYR 69 -0.948 17.423 6.611 547 HE1 TYR 69 1HE TYR 69 -3.123 16.802 10.977 548 HE2 TYR 69 2HE TYR 69 -2.367 19.206 7.538 549 HH TYR 69 HH TYR 69 -3.385 19.231 10.777 550 H VAL 70 H VAL 70 2.121 14.118 6.007 551 HA VAL 70 HA VAL 70 2.422 11.430 7.006 552 HB VAL 70 HB VAL 70 1.861 11.951 4.629 553 1HG1 VAL 70 1HG1 VAL 70 3.323 13.838 4.249 554 2HG1 VAL 70 2HG1 VAL 70 3.678 12.556 3.091 555 3HG1 VAL 70 3HG1 VAL 70 4.743 12.817 4.471 556 1HG2 VAL 70 1HG2 VAL 70 2.653 9.757 5.223 557 2HG2 VAL 70 2HG2 VAL 70 4.328 10.294 5.100 558 3HG2 VAL 70 3HG2 VAL 70 3.319 10.224 3.656 559 H HIS 71 H HIS 71 4.410 10.293 7.222 560 HA HIS 71 HA HIS 71 6.679 12.044 7.918 561 1HB HIS 71 2HB HIS 71 5.547 10.502 9.660 562 2HB HIS 71 1HB HIS 71 6.294 9.175 8.786 563 HD1 HIS 71 1HD HIS 71 6.937 11.721 11.341 564 HD2 HIS 71 2HD HIS 71 9.184 9.217 8.905 565 HE1 HIS 71 1HE HIS 71 9.214 11.592 12.414 566 HE2 HIS 71 2HE HIS 71 10.485 9.903 11.035 567 H LYS 72 H LYS 72 8.610 11.765 6.812 568 HA LYS 72 HA LYS 72 8.486 10.591 4.273 569 1HB LYS 72 2HB LYS 72 10.053 12.410 4.942 570 2HB LYS 72 1HB LYS 72 11.003 11.217 5.820 571 1HG LYS 72 2HG LYS 72 11.385 10.002 3.708 572 2HG LYS 72 1HG LYS 72 10.495 11.261 2.849 573 1HD LYS 72 2HD LYS 72 12.776 11.800 2.592 574 2HD LYS 72 1HD LYS 72 12.161 12.906 3.820 575 1HE LYS 72 2HE LYS 72 14.257 12.121 4.599 576 2HE LYS 72 1HE LYS 72 13.025 11.291 5.547 577 1HZ LYS 72 1HZ LYS 72 14.822 9.820 4.790 578 2HZ LYS 72 2HZ LYS 72 14.393 10.133 3.179 579 3HZ LYS 72 3HZ LYS 72 13.306 9.329 4.205 580 H GLU 73 H GLU 73 10.206 9.450 7.168 581 HA GLU 73 HA GLU 73 11.186 7.042 6.251 582 1HB GLU 73 2HB GLU 73 11.688 7.891 8.466 583 2HB GLU 73 1HB GLU 73 10.013 7.704 8.954 584 1HG GLU 73 2HG GLU 73 10.270 5.246 8.580 585 2HG GLU 73 1HG GLU 73 11.998 5.537 8.366 586 H GLN 74 H GLN 74 7.920 7.841 7.257 587 HA GLN 74 HA GLN 74 6.937 5.195 7.319 588 1HB GLN 74 2HB GLN 74 5.617 7.888 7.170 589 2HB GLN 74 1HB GLN 74 4.675 6.409 7.127 590 1HG GLN 74 2HG GLN 74 6.524 7.294 9.328 591 2HG GLN 74 1HG GLN 74 4.761 7.294 9.373 592 1HE2 GLN 74 1HE2 GLN 74 6.754 5.938 11.072 593 2HE2 GLN 74 2HE2 GLN 74 6.329 4.255 11.022 594 H ILE 75 H ILE 75 7.064 7.668 4.800 595 HA ILE 75 HA ILE 75 5.571 6.270 2.857 596 HB ILE 75 HB ILE 75 7.850 8.221 2.448 597 1HG1 ILE 75 2HG1 ILE 75 4.857 8.660 2.444 598 2HG1 ILE 75 1HG1 ILE 75 5.959 9.149 3.727 599 1HG2 ILE 75 1HG2 ILE 75 6.939 8.552 0.202 600 2HG2 ILE 75 2HG2 ILE 75 5.748 7.285 0.499 601 3HG2 ILE 75 3HG2 ILE 75 7.466 6.887 0.448 602 1HD1 ILE 75 1HD1 ILE 75 5.347 11.023 2.306 603 2HD1 ILE 75 2HD1 ILE 75 5.987 10.173 0.899 604 3HD1 ILE 75 3HD1 ILE 75 7.073 10.677 2.194 605 H GLU 76 H GLU 76 9.021 6.342 3.606 606 HA GLU 76 HA GLU 76 9.834 4.553 1.564 607 1HB GLU 76 2HB GLU 76 11.163 5.157 4.220 608 2HB GLU 76 1HB GLU 76 11.935 4.417 2.823 609 1HG GLU 76 2HG GLU 76 11.678 6.441 1.543 610 2HG GLU 76 1HG GLU 76 10.755 7.187 2.846 611 H ALA 77 H ALA 77 8.711 4.138 4.852 612 HA ALA 77 HA ALA 77 9.396 1.376 5.073 613 1HB ALA 77 1HB ALA 77 9.147 2.823 7.036 614 2HB ALA 77 2HB ALA 77 8.092 1.411 7.125 615 3HB ALA 77 3HB ALA 77 7.424 2.985 6.691 616 H VAL 78 H VAL 78 6.352 3.117 4.414 617 HA VAL 78 HA VAL 78 4.672 0.889 4.339 618 HB VAL 78 HB VAL 78 4.453 3.573 2.980 619 1HG1 VAL 78 1HG1 VAL 78 3.245 1.937 1.604 620 2HG1 VAL 78 2HG1 VAL 78 2.141 3.038 2.429 621 3HG1 VAL 78 3HG1 VAL 78 2.364 1.396 3.033 622 1HG2 VAL 78 1HG2 VAL 78 2.975 2.302 5.281 623 2HG2 VAL 78 2HG2 VAL 78 2.714 3.933 4.659 624 3HG2 VAL 78 3HG2 VAL 78 4.251 3.511 5.416 625 H LYS 79 H LYS 79 6.611 2.337 1.761 626 HA LYS 79 HA LYS 79 5.701 0.853 -0.401 627 1HB LYS 79 2HB LYS 79 7.240 2.678 -0.700 628 2HB LYS 79 1HB LYS 79 8.472 1.870 0.254 629 1HG LYS 79 2HG LYS 79 7.489 0.503 -2.194 630 2HG LYS 79 1HG LYS 79 8.540 1.907 -2.385 631 1HD LYS 79 2HD LYS 79 10.266 0.871 -1.080 632 2HD LYS 79 1HD LYS 79 9.201 -0.466 -0.646 633 1HE LYS 79 2HE LYS 79 9.142 -1.200 -2.960 634 2HE LYS 79 1HE LYS 79 10.140 0.172 -3.441 635 1HZ LYS 79 1HZ LYS 79 11.421 -1.888 -3.199 636 2HZ LYS 79 2HZ LYS 79 10.987 -1.976 -1.564 637 3HZ LYS 79 3HZ LYS 79 11.946 -0.689 -2.120 638 H ASP 80 H ASP 80 8.234 0.043 1.922 639 HA ASP 80 HA ASP 80 8.823 -2.499 0.717 640 1HB ASP 80 2HB ASP 80 10.571 -1.254 1.838 641 2HB ASP 80 1HB ASP 80 9.653 -1.238 3.339 642 H ASN 81 H ASN 81 7.167 -1.442 3.656 643 HA ASN 81 HA ASN 81 6.606 -4.008 4.677 644 1HB ASN 81 2HB ASN 81 5.332 -1.315 5.153 645 2HB ASN 81 1HB ASN 81 4.791 -2.768 5.982 646 1HD2 ASN 81 1HD2 ASN 81 6.012 -0.309 7.032 647 2HD2 ASN 81 2HD2 ASN 81 7.422 -0.812 7.891 648 H PHE 82 H PHE 82 4.950 -1.992 2.337 649 HA PHE 82 HA PHE 82 2.460 -3.328 2.345 650 1HB PHE 82 2HB PHE 82 3.006 -1.090 1.283 651 2HB PHE 82 1HB PHE 82 3.749 -1.987 -0.036 652 HD1 PHE 82 1HD PHE 82 2.452 -2.845 -1.785 653 HD2 PHE 82 2HD PHE 82 0.564 -1.425 1.752 654 HE1 PHE 82 1HE PHE 82 0.265 -3.002 -2.897 655 HE2 PHE 82 2HE PHE 82 -1.629 -1.580 0.647 656 HZ PHE 82 HZ PHE 82 -1.780 -2.370 -1.680 657 H LEU 83 H LEU 83 5.462 -3.872 0.576 658 HA LEU 83 HA LEU 83 4.480 -5.901 -1.121 659 1HB LEU 83 2HB LEU 83 7.250 -5.235 -0.149 660 2HB LEU 83 1HB LEU 83 6.941 -6.558 -1.257 661 HG LEU 83 HG LEU 83 6.314 -3.651 -1.787 662 1HD1 LEU 83 1HD1 LEU 83 8.707 -4.082 -1.799 663 2HD1 LEU 83 2HD1 LEU 83 8.118 -3.809 -3.439 664 3HD1 LEU 83 3HD1 LEU 83 8.470 -5.447 -2.892 665 1HD2 LEU 83 1HD2 LEU 83 6.089 -6.062 -3.583 666 2HD2 LEU 83 2HD2 LEU 83 5.806 -4.385 -4.054 667 3HD2 LEU 83 3HD2 LEU 83 4.740 -5.164 -2.884 668 H GLU 84 H GLU 84 6.057 -6.012 2.056 669 HA GLU 84 HA GLU 84 5.941 -8.850 2.250 670 1HB GLU 84 2HB GLU 84 6.198 -6.754 4.409 671 2HB GLU 84 1HB GLU 84 6.365 -8.483 4.676 672 1HG GLU 84 2HG GLU 84 8.225 -8.429 2.958 673 2HG GLU 84 1HG GLU 84 8.148 -6.670 3.081 674 H LEU 85 H LEU 85 3.723 -6.266 3.028 675 HA LEU 85 HA LEU 85 1.886 -7.668 4.613 676 1HB LEU 85 2HB LEU 85 1.976 -5.177 4.115 677 2HB LEU 85 1HB LEU 85 1.195 -5.534 2.592 678 HG LEU 85 HG LEU 85 -0.061 -6.249 5.241 679 1HD1 LEU 85 1HD1 LEU 85 -1.359 -4.175 5.020 680 2HD1 LEU 85 2HD1 LEU 85 -0.356 -3.706 3.646 681 3HD1 LEU 85 3HD1 LEU 85 0.361 -3.861 5.250 682 1HD2 LEU 85 1HD2 LEU 85 -0.988 -7.370 3.274 683 2HD2 LEU 85 2HD2 LEU 85 -1.215 -5.810 2.483 684 3HD2 LEU 85 3HD2 LEU 85 -2.133 -6.204 3.939 685 H VAL 86 H VAL 86 1.880 -7.107 1.095 686 HA VAL 86 HA VAL 86 -0.332 -8.709 0.478 687 HB VAL 86 HB VAL 86 2.097 -8.166 -1.248 688 1HG1 VAL 86 1HG1 VAL 86 -0.685 -9.048 -2.012 689 2HG1 VAL 86 2HG1 VAL 86 0.780 -10.023 -2.107 690 3HG1 VAL 86 3HG1 VAL 86 0.598 -8.605 -3.141 691 1HG2 VAL 86 1HG2 VAL 86 -0.520 -6.683 -1.042 692 2HG2 VAL 86 2HG2 VAL 86 0.774 -6.337 -2.189 693 3HG2 VAL 86 3HG2 VAL 86 1.043 -6.113 -0.460 694 H LEU 87 H LEU 87 3.107 -9.496 0.685 695 HA LEU 87 HA LEU 87 3.002 -12.149 -0.179 696 1HB LEU 87 2HB LEU 87 5.081 -10.878 0.127 697 2HB LEU 87 1HB LEU 87 4.841 -10.892 1.863 698 HG LEU 87 HG LEU 87 5.055 -13.374 1.830 699 1HD1 LEU 87 1HD1 LEU 87 5.826 -12.944 -1.054 700 2HD1 LEU 87 2HD1 LEU 87 4.362 -13.744 -0.486 701 3HD1 LEU 87 3HD1 LEU 87 5.939 -14.463 -0.165 702 1HD2 LEU 87 1HD2 LEU 87 6.968 -11.986 2.377 703 2HD2 LEU 87 2HD2 LEU 87 7.360 -11.817 0.665 704 3HD2 LEU 87 3HD2 LEU 87 7.484 -13.393 1.446 705 H GLN 88 H GLN 88 3.037 -10.929 3.173 706 HA GLN 88 HA GLN 88 2.690 -13.450 4.378 707 1HB GLN 88 2HB GLN 88 2.664 -10.642 5.251 708 2HB GLN 88 1HB GLN 88 1.713 -11.728 6.252 709 1HG GLN 88 2HG GLN 88 4.008 -11.439 7.068 710 2HG GLN 88 1HG GLN 88 3.637 -13.114 6.663 711 1HE2 GLN 88 1HE2 GLN 88 5.478 -10.302 5.833 712 2HE2 GLN 88 2HE2 GLN 88 6.538 -11.078 4.711 713 H SER 89 H SER 89 0.390 -11.199 3.065 714 HA SER 89 HA SER 89 -1.916 -12.051 4.415 715 1HB SER 89 2HB SER 89 -1.804 -9.993 3.046 716 2HB SER 89 1HB SER 89 -1.684 -10.977 1.589 717 HG SER 89 HG SER 89 -3.875 -10.551 3.288 718 H TYR 90 H TYR 90 -0.390 -13.235 1.437 719 HA TYR 90 HA TYR 90 -2.520 -15.181 1.107 720 1HB TYR 90 2HB TYR 90 -0.170 -14.430 -0.626 721 2HB TYR 90 1HB TYR 90 -1.265 -15.755 -1.014 722 HD1 TYR 90 1HD TYR 90 -0.748 -12.189 -1.138 723 HD2 TYR 90 2HD TYR 90 -3.712 -15.234 -1.363 724 HE1 TYR 90 1HE TYR 90 -2.295 -10.597 -2.201 725 HE2 TYR 90 2HE TYR 90 -5.265 -13.656 -2.430 726 HH TYR 90 HH TYR 90 -4.305 -10.659 -3.670 727 H VAL 91 H VAL 91 0.939 -15.148 1.905 728 HA VAL 91 HA VAL 91 1.073 -18.032 1.803 729 HB VAL 91 HB VAL 91 3.372 -17.849 2.526 730 1HG1 VAL 91 1HG1 VAL 91 2.903 -17.470 0.178 731 2HG1 VAL 91 2HG1 VAL 91 4.270 -16.489 0.706 732 3HG1 VAL 91 3HG1 VAL 91 2.686 -15.746 0.481 733 1HG2 VAL 91 1HG2 VAL 91 4.398 -15.646 2.976 734 2HG2 VAL 91 2HG2 VAL 91 3.213 -16.122 4.189 735 3HG2 VAL 91 3HG2 VAL 91 2.788 -14.925 2.966 736 H HIS 92 H HIS 92 0.183 -15.717 4.138 737 HA HIS 92 HA HIS 92 -0.638 -15.908 6.243 738 1HB HIS 92 2HB HIS 92 -0.528 -18.874 5.650 739 2HB HIS 92 1HB HIS 92 -1.267 -18.180 7.089 740 HD1 HIS 92 1HD HIS 92 -2.905 -19.849 5.050 741 HD2 HIS 92 2HD HIS 92 -2.625 -15.696 5.032 742 HE1 HIS 92 1HE HIS 92 -4.944 -19.032 3.820 743 HE2 HIS 92 2HE HIS 92 -4.652 -16.533 3.673 744 H HIS 93 H HIS 93 2.271 -15.912 5.686 745 HA HIS 93 HA HIS 93 3.505 -17.446 7.772 746 1HB HIS 93 2HB HIS 93 4.745 -16.841 5.743 747 2HB HIS 93 1HB HIS 93 4.568 -15.132 6.126 748 HD1 HIS 93 1HD HIS 93 5.969 -18.171 8.002 749 HD2 HIS 93 2HD HIS 93 6.845 -14.186 7.163 750 HE1 HIS 93 1HE HIS 93 8.157 -17.694 9.149 751 HE2 HIS 93 2HE HIS 93 8.746 -15.330 8.496 752 H ILE 94 H ILE 94 1.728 -14.589 7.691 753 HA ILE 94 HA ILE 94 2.990 -13.345 9.987 754 HB ILE 94 HB ILE 94 1.887 -12.050 8.112 755 1HG1 ILE 94 2HG1 ILE 94 0.731 -10.430 9.674 756 2HG1 ILE 94 1HG1 ILE 94 1.005 -11.596 10.964 757 1HG2 ILE 94 1HG2 ILE 94 -0.548 -11.777 8.189 758 2HG2 ILE 94 2HG2 ILE 94 -0.641 -13.033 9.424 759 3HG2 ILE 94 3HG2 ILE 94 -0.075 -13.431 7.801 760 1HD1 ILE 94 1HD1 ILE 94 3.410 -11.431 10.609 761 2HD1 ILE 94 2HD1 ILE 94 2.699 -9.856 10.968 762 3HD1 ILE 94 3HD1 ILE 94 3.136 -10.269 9.310 763 H HIS 95 H HIS 95 1.934 -13.125 12.068 764 HA HIS 95 HA HIS 95 0.321 -15.459 12.684 765 1HB HIS 95 2HB HIS 95 2.242 -14.794 14.141 766 2HB HIS 95 1HB HIS 95 1.336 -13.357 14.606 767 HD1 HIS 95 1HD HIS 95 -0.013 -13.606 16.670 768 HD2 HIS 95 2HD HIS 95 0.701 -17.271 14.831 769 HE1 HIS 95 1HE HIS 95 -1.036 -15.340 18.182 770 HE2 HIS 95 2HE HIS 95 -0.463 -17.556 17.124 771 H LYS 96 H LYS 96 -0.022 -12.119 13.936 772 HA LYS 96 HA LYS 96 -2.793 -12.026 13.084 773 1HB LYS 96 2HB LYS 96 -2.003 -12.447 15.944 774 2HB LYS 96 1HB LYS 96 -3.418 -11.476 15.576 775 1HG LYS 96 2HG LYS 96 -2.997 -14.324 14.697 776 2HG LYS 96 1HG LYS 96 -3.965 -13.815 16.080 777 1HD LYS 96 2HD LYS 96 -5.365 -12.467 14.509 778 2HD LYS 96 1HD LYS 96 -4.458 -13.179 13.173 779 1HE LYS 96 2HE LYS 96 -5.151 -15.435 14.038 780 2HE LYS 96 1HE LYS 96 -6.222 -14.598 15.163 781 1HZ LYS 96 1HZ LYS 96 -6.337 -14.526 12.200 782 2HZ LYS 96 2HZ LYS 96 -7.286 -13.546 13.204 783 3HZ LYS 96 3HZ LYS 96 -7.471 -15.229 13.245 784 H LYS 97 H LYS 97 -0.975 -10.485 15.731 785 HA LYS 97 HA LYS 97 -2.360 -8.062 15.372 786 1HB LYS 97 2HB LYS 97 0.069 -8.772 16.993 787 2HB LYS 97 1HB LYS 97 -0.653 -7.167 17.017 788 1HG LYS 97 2HG LYS 97 -2.033 -9.737 17.771 789 2HG LYS 97 1HG LYS 97 -1.423 -8.516 18.891 790 1HD LYS 97 2HD LYS 97 -2.972 -6.877 17.982 791 2HD LYS 97 1HD LYS 97 -3.548 -8.049 16.798 792 1HE LYS 97 2HE LYS 97 -4.368 -9.471 18.620 793 2HE LYS 97 1HE LYS 97 -3.804 -8.283 19.794 794 1HZ LYS 97 1HZ LYS 97 -5.318 -6.667 18.867 795 2HZ LYS 97 2HZ LYS 97 -6.179 -8.057 19.328 796 3HZ LYS 97 3HZ LYS 97 -5.839 -7.772 17.690 797 H ARG 98 H ARG 98 0.824 -9.088 14.255 798 HA ARG 98 HA ARG 98 1.694 -6.471 13.576 799 1HB ARG 98 2HB ARG 98 2.663 -9.223 13.061 800 2HB ARG 98 1HB ARG 98 3.233 -7.964 11.974 801 1HG ARG 98 2HG ARG 98 4.007 -6.678 13.938 802 2HG ARG 98 1HG ARG 98 3.523 -8.027 14.968 803 1HD ARG 98 2HD ARG 98 5.167 -9.429 14.118 804 2HD ARG 98 1HD ARG 98 5.383 -8.456 12.663 805 HE ARG 98 HE ARG 98 6.066 -6.973 14.991 806 1HH1 ARG 98 1HH1 ARG 98 7.256 -9.549 12.933 807 2HH1 ARG 98 2HH1 ARG 98 8.929 -9.139 13.179 808 1HH2 ARG 98 1HH2 ARG 98 8.252 -6.439 15.303 809 2HH2 ARG 98 2HH2 ARG 98 9.489 -7.376 14.527 810 H PHE 99 H PHE 99 -0.235 -8.841 11.909 811 HA PHE 99 HA PHE 99 0.138 -7.817 9.291 812 1HB PHE 99 2HB PHE 99 -0.802 -10.082 9.831 813 2HB PHE 99 1HB PHE 99 -2.285 -9.285 10.347 814 HD1 PHE 99 1HD PHE 99 0.018 -9.332 7.420 815 HD2 PHE 99 2HD PHE 99 -3.996 -9.153 8.818 816 HE1 PHE 99 1HE PHE 99 -0.785 -9.367 5.098 817 HE2 PHE 99 2HE PHE 99 -4.807 -9.193 6.496 818 HZ PHE 99 HZ PHE 99 -3.203 -9.297 4.633 819 H LYS 100 H LYS 100 -2.355 -7.290 11.753 820 HA LYS 100 HA LYS 100 -3.749 -5.336 10.212 821 1HB LYS 100 2HB LYS 100 -3.914 -6.336 13.018 822 2HB LYS 100 1HB LYS 100 -4.711 -4.821 12.611 823 1HG LYS 100 2HG LYS 100 -5.168 -7.385 11.106 824 2HG LYS 100 1HG LYS 100 -6.156 -6.859 12.473 825 1HD LYS 100 2HD LYS 100 -6.812 -4.863 11.301 826 2HD LYS 100 1HD LYS 100 -5.700 -5.223 9.981 827 1HE LYS 100 2HE LYS 100 -6.995 -7.084 9.282 828 2HE LYS 100 1HE LYS 100 -7.970 -7.043 10.751 829 1HZ LYS 100 1HZ LYS 100 -9.092 -6.101 8.765 830 2HZ LYS 100 2HZ LYS 100 -7.938 -4.859 8.730 831 3HZ LYS 100 3HZ LYS 100 -8.978 -5.015 10.058 832 H ASP 101 H ASP 101 -1.116 -5.245 12.485 833 HA ASP 101 HA ASP 101 -1.203 -2.458 13.060 834 1HB ASP 101 2HB ASP 101 0.101 -4.367 14.260 835 2HB ASP 101 1HB ASP 101 1.329 -4.097 13.029 836 H ILE 102 H ILE 102 0.743 -4.371 10.762 837 HA ILE 102 HA ILE 102 2.006 -2.207 9.510 838 HB ILE 102 HB ILE 102 1.238 -4.898 8.350 839 1HG1 ILE 102 2HG1 ILE 102 3.875 -3.869 9.423 840 2HG1 ILE 102 1HG1 ILE 102 2.792 -4.959 10.279 841 1HG2 ILE 102 1HG2 ILE 102 2.913 -4.440 6.613 842 2HG2 ILE 102 2HG2 ILE 102 3.115 -2.812 7.258 843 3HG2 ILE 102 3HG2 ILE 102 1.571 -3.296 6.558 844 1HD1 ILE 102 1HD1 ILE 102 4.654 -6.156 9.279 845 2HD1 ILE 102 2HD1 ILE 102 4.200 -5.551 7.687 846 3HD1 ILE 102 3HD1 ILE 102 3.124 -6.649 8.552 847 H THR 103 H THR 103 -1.038 -3.873 8.710 848 HA THR 103 HA THR 103 -1.728 -2.373 6.461 849 HB THR 103 HB THR 103 -3.639 -3.522 8.508 850 HG1 THR 103 1HG THR 103 -2.327 -5.186 7.787 851 1HG2 THR 103 1HG2 THR 103 -5.203 -3.669 6.636 852 2HG2 THR 103 2HG2 THR 103 -4.005 -2.937 5.568 853 3HG2 THR 103 3HG2 THR 103 -4.693 -1.999 6.893 854 H GLU 104 H GLU 104 -2.445 -1.807 9.890 855 HA GLU 104 HA GLU 104 -3.942 0.545 9.585 856 1HB GLU 104 2HB GLU 104 -2.449 -0.774 11.791 857 2HB GLU 104 1HB GLU 104 -2.873 0.911 12.015 858 1HG GLU 104 2HG GLU 104 -4.794 -1.323 11.398 859 2HG GLU 104 1HG GLU 104 -4.543 -0.585 12.978 860 H SER 105 H SER 105 -0.445 0.103 10.121 861 HA SER 105 HA SER 105 0.193 2.848 10.142 862 1HB SER 105 2HB SER 105 1.902 0.490 9.313 863 2HB SER 105 1HB SER 105 2.506 2.112 9.650 864 HG SER 105 HG SER 105 1.999 0.127 11.368 865 H VAL 106 H VAL 106 -0.063 0.524 7.475 866 HA VAL 106 HA VAL 106 0.843 2.267 5.440 867 HB VAL 106 HB VAL 106 -1.010 -0.119 5.285 868 1HG1 VAL 106 1HG1 VAL 106 -1.390 1.356 3.378 869 2HG1 VAL 106 2HG1 VAL 106 -0.577 -0.129 2.883 870 3HG1 VAL 106 3HG1 VAL 106 0.339 1.370 3.038 871 1HG2 VAL 106 1HG2 VAL 106 1.923 0.202 4.655 872 2HG2 VAL 106 2HG2 VAL 106 0.974 -1.264 4.402 873 3HG2 VAL 106 3HG2 VAL 106 1.238 -0.655 6.036 874 H LEU 107 H LEU 107 -2.460 1.406 6.476 875 HA LEU 107 HA LEU 107 -3.849 3.137 4.790 876 1HB LEU 107 2HB LEU 107 -4.519 2.128 7.548 877 2HB LEU 107 1HB LEU 107 -5.646 3.031 6.562 878 HG LEU 107 HG LEU 107 -4.441 0.363 5.820 879 1HD1 LEU 107 1HD1 LEU 107 -6.008 0.182 7.681 880 2HD1 LEU 107 2HD1 LEU 107 -6.676 -0.527 6.212 881 3HD1 LEU 107 3HD1 LEU 107 -7.224 1.060 6.749 882 1HD2 LEU 107 1HD2 LEU 107 -4.955 1.767 3.878 883 2HD2 LEU 107 2HD2 LEU 107 -6.604 1.975 4.469 884 3HD2 LEU 107 3HD2 LEU 107 -6.034 0.378 3.986 885 H TYR 108 H TYR 108 -2.606 3.680 8.056 886 HA TYR 108 HA TYR 108 -3.430 6.292 8.483 887 1HB TYR 108 2HB TYR 108 -2.421 5.090 10.266 888 2HB TYR 108 1HB TYR 108 -0.966 4.777 9.333 889 HD1 TYR 108 1HD TYR 108 -2.853 7.444 11.087 890 HD2 TYR 108 2HD TYR 108 0.862 6.257 9.400 891 HE1 TYR 108 1HE TYR 108 -1.764 9.389 12.127 892 HE2 TYR 108 2HE TYR 108 1.961 8.197 10.434 893 HH TYR 108 HH TYR 108 0.588 9.986 12.886 894 H THR 109 H THR 109 -0.360 5.198 7.043 895 HA THR 109 HA THR 109 0.629 7.767 6.490 896 HB THR 109 HB THR 109 1.293 5.176 5.082 897 HG1 THR 109 1HG THR 109 1.801 4.801 7.165 898 1HG2 THR 109 1HG2 THR 109 3.467 6.251 4.645 899 2HG2 THR 109 2HG2 THR 109 2.865 7.744 5.360 900 3HG2 THR 109 3HG2 THR 109 2.140 7.125 3.878 901 H LEU 110 H LEU 110 -1.155 5.461 4.450 902 HA LEU 110 HA LEU 110 -1.028 6.943 2.070 903 1HB LEU 110 2HB LEU 110 -3.124 4.992 3.023 904 2HB LEU 110 1HB LEU 110 -3.032 5.622 1.389 905 HG LEU 110 HG LEU 110 -0.938 3.924 2.747 906 1HD1 LEU 110 1HD1 LEU 110 -1.586 2.228 1.121 907 2HD1 LEU 110 2HD1 LEU 110 -2.848 3.294 0.502 908 3HD1 LEU 110 3HD1 LEU 110 -2.946 2.677 2.152 909 1HD2 LEU 110 1HD2 LEU 110 0.173 3.886 0.587 910 2HD2 LEU 110 2HD2 LEU 110 0.041 5.540 1.185 911 3HD2 LEU 110 3HD2 LEU 110 -1.048 4.969 -0.080 912 H HIS 111 H HIS 111 -3.332 7.046 4.743 913 HA HIS 111 HA HIS 111 -5.162 8.837 3.537 914 1HB HIS 111 2HB HIS 111 -4.572 8.027 6.358 915 2HB HIS 111 1HB HIS 111 -5.614 9.416 6.064 916 HD1 HIS 111 1HD HIS 111 -7.589 8.073 7.126 917 HD2 HIS 111 2HD HIS 111 -6.048 6.429 3.626 918 HE1 HIS 111 1HE HIS 111 -9.301 6.399 6.348 919 HE2 HIS 111 2HE HIS 111 -8.453 5.599 4.115 920 H ALA 112 H ALA 112 -2.212 9.326 5.386 921 HA ALA 112 HA ALA 112 -2.490 12.141 5.674 922 1HB ALA 112 1HB ALA 112 -0.137 12.107 6.343 923 2HB ALA 112 2HB ALA 112 0.003 10.443 5.774 924 3HB ALA 112 3HB ALA 112 -1.046 10.822 7.140 925 H VAL 113 H VAL 113 -0.907 10.056 3.298 926 HA VAL 113 HA VAL 113 0.340 12.160 1.848 927 HB VAL 113 HB VAL 113 -0.431 9.404 0.853 928 1HG1 VAL 113 1HG1 VAL 113 0.040 10.944 -0.964 929 2HG1 VAL 113 2HG1 VAL 113 1.337 9.756 -0.817 930 3HG1 VAL 113 3HG1 VAL 113 1.567 11.397 -0.209 931 1HG2 VAL 113 1HG2 VAL 113 1.875 8.769 1.365 932 2HG2 VAL 113 2HG2 VAL 113 1.013 9.280 2.817 933 3HG2 VAL 113 3HG2 VAL 113 2.166 10.370 2.046 934 H LYS 114 H LYS 114 -2.673 10.377 1.522 935 HA LYS 114 HA LYS 114 -3.634 11.398 -0.863 936 1HB LYS 114 2HB LYS 114 -4.591 9.524 0.500 937 2HB LYS 114 1HB LYS 114 -5.266 10.721 1.589 938 1HG LYS 114 2HG LYS 114 -5.916 10.801 -1.330 939 2HG LYS 114 1HG LYS 114 -6.737 9.661 -0.267 940 1HD LYS 114 2HD LYS 114 -6.675 12.661 0.071 941 2HD LYS 114 1HD LYS 114 -8.026 11.723 -0.571 942 1HE LYS 114 2HE LYS 114 -8.044 10.470 1.609 943 2HE LYS 114 1HE LYS 114 -6.892 11.658 2.217 944 1HZ LYS 114 1HZ LYS 114 -9.699 12.085 1.383 945 2HZ LYS 114 2HZ LYS 114 -8.611 13.372 1.540 946 3HZ LYS 114 3HZ LYS 114 -8.989 12.413 2.888 947 H ASP 115 H ASP 115 -3.819 12.751 2.407 948 HA ASP 115 HA ASP 115 -5.489 14.941 1.739 949 1HB ASP 115 2HB ASP 115 -5.137 14.258 4.074 950 2HB ASP 115 1HB ASP 115 -3.441 14.723 3.961 951 H GLU 116 H GLU 116 -1.955 14.687 2.051 952 HA GLU 116 HA GLU 116 -1.532 17.420 1.448 953 1HB GLU 116 2HB GLU 116 0.350 15.071 1.563 954 2HB GLU 116 1HB GLU 116 0.880 16.729 1.295 955 1HG GLU 116 2HG GLU 116 -0.125 17.384 3.433 956 2HG GLU 116 1HG GLU 116 -0.616 15.716 3.705 957 H ILE 117 H ILE 117 -1.713 14.544 -0.562 958 HA ILE 117 HA ILE 117 -0.674 15.682 -2.928 959 HB ILE 117 HB ILE 117 -2.872 13.615 -2.643 960 1HG1 ILE 117 2HG1 ILE 117 0.075 13.311 -3.264 961 2HG1 ILE 117 1HG1 ILE 117 -0.688 12.931 -1.721 962 1HG2 ILE 117 1HG2 ILE 117 -2.437 13.056 -4.982 963 2HG2 ILE 117 2HG2 ILE 117 -1.281 14.384 -5.086 964 3HG2 ILE 117 3HG2 ILE 117 -2.990 14.724 -4.814 965 1HD1 ILE 117 1HD1 ILE 117 -1.275 11.573 -4.343 966 2HD1 ILE 117 2HD1 ILE 117 -1.983 11.170 -2.779 967 3HD1 ILE 117 3HD1 ILE 117 -0.256 10.935 -3.053 968 H ALA 118 H ALA 118 -4.006 15.525 -1.690 969 HA ALA 118 HA ALA 118 -5.051 17.179 -3.788 970 1HB ALA 118 1HB ALA 118 -7.126 17.146 -2.485 971 2HB ALA 118 2HB ALA 118 -6.272 16.386 -1.142 972 3HB ALA 118 3HB ALA 118 -6.455 15.526 -2.672 973 H ARG 119 H ARG 119 -3.466 17.724 -0.832 974 HA ARG 119 HA ARG 119 -4.503 20.297 -0.214 975 1HB ARG 119 2HB ARG 119 -3.284 18.636 1.312 976 2HB ARG 119 1HB ARG 119 -1.799 19.241 0.598 977 1HG ARG 119 2HG ARG 119 -2.172 21.416 1.472 978 2HG ARG 119 1HG ARG 119 -3.819 21.001 1.958 979 1HD ARG 119 2HD ARG 119 -2.772 19.219 3.437 980 2HD ARG 119 1HD ARG 119 -1.229 20.016 3.127 981 HE ARG 119 HE ARG 119 -2.201 22.034 4.141 982 1HH1 ARG 119 1HH1 ARG 119 -3.673 18.912 4.800 983 2HH1 ARG 119 2HH1 ARG 119 -4.469 19.459 6.249 984 1HH2 ARG 119 1HH2 ARG 119 -3.227 22.741 6.072 985 2HH2 ARG 119 2HH2 ARG 119 -4.200 21.623 6.979 986 H GLU 120 H GLU 120 -1.841 19.109 -2.166 987 HA GLU 120 HA GLU 120 -1.001 21.781 -2.891 988 1HB GLU 120 2HB GLU 120 0.680 20.033 -2.844 989 2HB GLU 120 1HB GLU 120 -0.254 19.076 -3.977 990 1HG GLU 120 2HG GLU 120 1.568 20.075 -5.148 991 2HG GLU 120 1HG GLU 120 0.070 20.827 -5.684 992 H ASP 121 H ASP 121 -2.780 19.090 -4.295 993 HA ASP 121 HA ASP 121 -4.401 18.960 -5.864 994 1HB ASP 121 2HB ASP 121 -5.388 20.998 -4.948 995 2HB ASP 121 1HB ASP 121 -4.294 21.981 -5.915 996 H SER 122 H SER 122 -4.143 18.266 -7.842 997 HA SER 122 HA SER 122 -1.690 19.038 -9.188 998 1HB SER 122 2HB SER 122 -2.210 17.021 -10.622 999 2HB SER 122 1HB SER 122 -1.950 16.685 -8.911 1000 HG SER 122 HG SER 122 -4.509 17.136 -9.120 1001 H ARG 123 H ARG 123 -1.555 19.602 -11.345 1002 HA ARG 123 HA ARG 123 -4.033 20.559 -12.614 1003 1HB ARG 123 2HB ARG 123 -2.557 22.085 -13.918 1004 2HB ARG 123 1HB ARG 123 -2.480 22.388 -12.187 1005 1HG ARG 123 2HG ARG 123 -0.389 21.092 -12.081 1006 2HG ARG 123 1HG ARG 123 -0.454 20.883 -13.831 1007 1HD ARG 123 2HD ARG 123 -0.329 23.294 -14.134 1008 2HD ARG 123 1HD ARG 123 -0.317 23.525 -12.387 1009 HE ARG 123 HE ARG 123 1.803 21.835 -13.414 1010 1HH1 ARG 123 1HH1 ARG 123 0.842 25.100 -12.537 1011 2HH1 ARG 123 2HH1 ARG 123 2.477 25.667 -12.353 1012 1HH2 ARG 123 1HH2 ARG 123 3.945 22.575 -13.116 1013 2HH2 ARG 123 2HH2 ARG 123 4.227 24.226 -12.647 Start of MODEL 2 1 1H MET 1 1HT MET 1 -9.961 13.273 -5.015 2 2H MET 1 2HT MET 1 -11.154 13.890 -3.983 3 3H MET 1 3HT MET 1 -11.376 13.956 -5.658 4 HA MET 1 HA MET 1 -11.273 11.520 -3.980 5 1HB MET 1 2HB MET 1 -13.376 12.697 -3.750 6 2HB MET 1 1HB MET 1 -13.523 12.853 -5.496 7 1HG MET 1 2HG MET 1 -13.713 10.424 -5.692 8 2HG MET 1 1HG MET 1 -13.588 10.278 -3.939 9 1HE MET 1 1HE MET 1 -15.891 8.818 -4.065 10 2HE MET 1 2HE MET 1 -15.942 9.090 -5.807 11 3HE MET 1 3HE MET 1 -17.362 9.430 -4.819 12 H LEU 2 H LEU 2 -11.439 12.886 -7.246 13 HA LEU 2 HA LEU 2 -11.797 10.434 -8.599 14 1HB LEU 2 2HB LEU 2 -11.989 12.924 -9.420 15 2HB LEU 2 1HB LEU 2 -10.296 12.721 -9.827 16 HG LEU 2 HG LEU 2 -12.495 10.934 -10.878 17 1HD1 LEU 2 1HD1 LEU 2 -12.275 12.176 -12.972 18 2HD1 LEU 2 2HD1 LEU 2 -11.164 13.298 -12.187 19 3HD1 LEU 2 3HD1 LEU 2 -12.844 13.206 -11.659 20 1HD2 LEU 2 1HD2 LEU 2 -10.834 10.265 -12.532 21 2HD2 LEU 2 2HD2 LEU 2 -10.273 9.915 -10.895 22 3HD2 LEU 2 3HD2 LEU 2 -9.638 11.312 -11.767 23 H SER 3 H SER 3 -10.433 8.846 -9.029 24 HA SER 3 HA SER 3 -7.800 8.908 -7.931 25 1HB SER 3 2HB SER 3 -9.090 6.758 -9.624 26 2HB SER 3 1HB SER 3 -7.710 6.572 -8.542 27 HG SER 3 HG SER 3 -9.206 6.045 -7.154 28 H GLN 4 H GLN 4 -6.799 10.558 -9.179 29 HA GLN 4 HA GLN 4 -5.575 9.435 -11.579 30 1HB GLN 4 2HB GLN 4 -7.132 11.969 -11.467 31 2HB GLN 4 1HB GLN 4 -5.660 11.962 -12.425 32 1HG GLN 4 2HG GLN 4 -8.022 10.129 -12.761 33 2HG GLN 4 1HG GLN 4 -7.573 11.472 -13.813 34 1HE2 GLN 4 1HE2 GLN 4 -7.904 8.680 -14.492 35 2HE2 GLN 4 2HE2 GLN 4 -6.380 8.146 -15.119 36 H THR 5 H THR 5 -3.754 11.080 -12.290 37 HA THR 5 HA THR 5 -1.715 11.956 -11.832 38 HB THR 5 HB THR 5 -2.810 12.935 -9.195 39 HG1 THR 5 1HG THR 5 -3.309 13.836 -11.843 40 1HG2 THR 5 1HG2 THR 5 -1.300 14.831 -9.615 41 2HG2 THR 5 2HG2 THR 5 -0.781 14.080 -11.123 42 3HG2 THR 5 3HG2 THR 5 -0.422 13.303 -9.583 43 H LEU 6 H LEU 6 -2.077 11.764 -8.398 44 HA LEU 6 HA LEU 6 -0.455 9.295 -8.337 45 1HB LEU 6 2HB LEU 6 0.785 11.367 -7.700 46 2HB LEU 6 1HB LEU 6 -0.364 11.623 -6.404 47 HG LEU 6 HG LEU 6 0.374 9.489 -5.367 48 1HD1 LEU 6 1HD1 LEU 6 2.428 8.429 -6.165 49 2HD1 LEU 6 2HD1 LEU 6 2.457 9.526 -7.547 50 3HD1 LEU 6 3HD1 LEU 6 1.149 8.354 -7.378 51 1HD2 LEU 6 1HD2 LEU 6 2.536 10.312 -4.579 52 2HD2 LEU 6 2HD2 LEU 6 1.345 11.611 -4.652 53 3HD2 LEU 6 3HD2 LEU 6 2.580 11.475 -5.904 54 H LEU 7 H LEU 7 -3.377 10.661 -7.701 55 HA LEU 7 HA LEU 7 -3.949 9.704 -5.085 56 1HB LEU 7 2HB LEU 7 -5.143 11.461 -6.768 57 2HB LEU 7 1HB LEU 7 -6.176 10.066 -6.998 58 HG LEU 7 HG LEU 7 -7.115 11.545 -5.329 59 1HD1 LEU 7 1HD1 LEU 7 -7.539 9.196 -5.023 60 2HD1 LEU 7 2HD1 LEU 7 -7.360 9.987 -3.458 61 3HD1 LEU 7 3HD1 LEU 7 -6.041 9.016 -4.113 62 1HD2 LEU 7 1HD2 LEU 7 -4.559 11.120 -3.791 63 2HD2 LEU 7 2HD2 LEU 7 -5.986 11.983 -3.212 64 3HD2 LEU 7 3HD2 LEU 7 -5.064 12.617 -4.577 65 H GLU 8 H GLU 8 -4.633 8.501 -8.351 66 HA GLU 8 HA GLU 8 -6.169 6.265 -7.700 67 1HB GLU 8 2HB GLU 8 -5.579 7.337 -9.987 68 2HB GLU 8 1HB GLU 8 -4.150 6.322 -9.942 69 1HG GLU 8 2HG GLU 8 -6.966 5.286 -9.784 70 2HG GLU 8 1HG GLU 8 -6.033 5.423 -11.269 71 H MET 9 H MET 9 -2.664 6.532 -8.182 72 HA MET 9 HA MET 9 -2.015 3.864 -7.700 73 1HB MET 9 2HB MET 9 -0.419 6.399 -7.332 74 2HB MET 9 1HB MET 9 0.276 4.788 -7.192 75 1HG MET 9 2HG MET 9 -0.018 4.327 -9.455 76 2HG MET 9 1HG MET 9 -1.221 5.599 -9.654 77 1HE MET 9 1HE MET 9 2.120 6.109 -7.672 78 2HE MET 9 2HE MET 9 3.245 6.543 -8.958 79 3HE MET 9 3HE MET 9 2.585 4.909 -8.876 80 H THR 10 H THR 10 -2.481 6.549 -5.478 81 HA THR 10 HA THR 10 -1.626 5.131 -3.151 82 HB THR 10 HB THR 10 -3.460 7.534 -3.315 83 HG1 THR 10 1HG THR 10 -1.541 8.092 -4.313 84 1HG2 THR 10 1HG2 THR 10 -3.421 6.401 -1.119 85 2HG2 THR 10 2HG2 THR 10 -2.685 8.001 -1.051 86 3HG2 THR 10 3HG2 THR 10 -1.665 6.562 -1.084 87 H GLU 11 H GLU 11 -4.814 5.971 -4.494 88 HA GLU 11 HA GLU 11 -6.458 4.679 -2.685 89 1HB GLU 11 2HB GLU 11 -6.715 5.254 -5.620 90 2HB GLU 11 1HB GLU 11 -7.992 4.415 -4.760 91 1HG GLU 11 2HG GLU 11 -6.914 7.122 -4.014 92 2HG GLU 11 1HG GLU 11 -8.361 6.845 -4.981 93 H GLN 12 H GLN 12 -4.837 3.351 -5.535 94 HA GLN 12 HA GLN 12 -6.021 0.794 -5.453 95 1HB GLN 12 2HB GLN 12 -4.405 2.056 -7.202 96 2HB GLN 12 1HB GLN 12 -3.215 1.041 -6.399 97 1HG GLN 12 2HG GLN 12 -5.750 -0.026 -7.613 98 2HG GLN 12 1HG GLN 12 -4.228 0.098 -8.488 99 1HE2 GLN 12 1HE2 GLN 12 -5.886 -2.225 -7.717 100 2HE2 GLN 12 2HE2 GLN 12 -4.810 -3.283 -6.865 101 H MET 13 H MET 13 -3.009 2.058 -4.064 102 HA MET 13 HA MET 13 -2.147 -0.320 -2.848 103 1HB MET 13 2HB MET 13 -0.703 1.647 -3.140 104 2HB MET 13 1HB MET 13 -1.677 2.540 -1.982 105 1HG MET 13 2HG MET 13 -1.008 1.054 -0.206 106 2HG MET 13 1HG MET 13 -0.133 0.037 -1.347 107 1HE MET 13 1HE MET 13 2.073 0.745 -2.585 108 2HE MET 13 2HE MET 13 2.830 2.329 -2.427 109 3HE MET 13 3HE MET 13 1.273 2.175 -3.241 110 H ILE 14 H ILE 14 -4.283 2.263 -1.702 111 HA ILE 14 HA ILE 14 -4.676 1.286 0.914 112 HB ILE 14 HB ILE 14 -6.587 2.880 -0.808 113 1HG1 ILE 14 2HG1 ILE 14 -4.577 3.774 1.276 114 2HG1 ILE 14 1HG1 ILE 14 -4.414 3.991 -0.466 115 1HG2 ILE 14 1HG2 ILE 14 -7.638 3.544 1.311 116 2HG2 ILE 14 2HG2 ILE 14 -6.565 2.447 2.179 117 3HG2 ILE 14 3HG2 ILE 14 -7.749 1.805 1.042 118 1HD1 ILE 14 1HD1 ILE 14 -5.121 6.040 0.630 119 2HD1 ILE 14 2HD1 ILE 14 -6.544 5.221 1.276 120 3HD1 ILE 14 3HD1 ILE 14 -6.369 5.447 -0.466 121 H GLU 15 H GLU 15 -6.396 0.691 -2.113 122 HA GLU 15 HA GLU 15 -8.488 -0.867 -1.099 123 1HB GLU 15 2HB GLU 15 -8.387 0.115 -3.377 124 2HB GLU 15 1HB GLU 15 -7.158 -1.064 -3.811 125 1HG GLU 15 2HG GLU 15 -8.739 -2.871 -3.460 126 2HG GLU 15 1HG GLU 15 -9.972 -1.712 -2.966 127 H VAL 16 H VAL 16 -5.311 -1.839 -2.368 128 HA VAL 16 HA VAL 16 -5.665 -4.613 -2.037 129 HB VAL 16 HB VAL 16 -3.083 -3.033 -1.951 130 1HG1 VAL 16 1HG1 VAL 16 -2.799 -5.266 -1.014 131 2HG1 VAL 16 2HG1 VAL 16 -2.001 -5.140 -2.581 132 3HG1 VAL 16 3HG1 VAL 16 -3.549 -5.975 -2.445 133 1HG2 VAL 16 1HG2 VAL 16 -4.473 -4.409 -4.248 134 2HG2 VAL 16 2HG2 VAL 16 -2.895 -3.624 -4.319 135 3HG2 VAL 16 3HG2 VAL 16 -4.343 -2.667 -4.006 136 H ALA 17 H ALA 17 -4.362 -2.138 0.138 137 HA ALA 17 HA ALA 17 -3.570 -3.835 2.221 138 1HB ALA 17 1HB ALA 17 -4.597 -1.006 2.422 139 2HB ALA 17 2HB ALA 17 -2.931 -1.476 2.089 140 3HB ALA 17 3HB ALA 17 -3.660 -1.864 3.646 141 H GLU 18 H GLU 18 -6.629 -2.022 1.826 142 HA GLU 18 HA GLU 18 -8.010 -2.987 3.997 143 1HB GLU 18 2HB GLU 18 -8.471 -1.276 2.005 144 2HB GLU 18 1HB GLU 18 -9.415 -2.630 1.410 145 1HG GLU 18 2HG GLU 18 -9.732 -1.475 4.150 146 2HG GLU 18 1HG GLU 18 -10.623 -0.929 2.739 147 H LYS 19 H LYS 19 -8.021 -4.280 0.668 148 HA LYS 19 HA LYS 19 -9.786 -6.396 1.351 149 1HB LYS 19 2HB LYS 19 -8.350 -5.546 -1.090 150 2HB LYS 19 1HB LYS 19 -8.818 -7.239 -1.007 151 1HG LYS 19 2HG LYS 19 -10.554 -6.020 -2.116 152 2HG LYS 19 1HG LYS 19 -11.147 -6.519 -0.534 153 1HD LYS 19 2HD LYS 19 -10.333 -4.178 0.232 154 2HD LYS 19 1HD LYS 19 -10.371 -3.790 -1.489 155 1HE LYS 19 2HE LYS 19 -12.474 -3.138 -0.625 156 2HE LYS 19 1HE LYS 19 -12.753 -4.648 -1.494 157 1HZ LYS 19 1HZ LYS 19 -12.594 -5.804 0.677 158 2HZ LYS 19 2HZ LYS 19 -13.898 -4.733 0.592 159 3HZ LYS 19 3HZ LYS 19 -12.500 -4.296 1.451 160 H GLY 20 H GLY 20 -6.347 -6.093 1.495 161 1HA GLY 20 2HA GLY 20 -5.750 -8.878 1.536 162 2HA GLY 20 1HA GLY 20 -4.751 -7.598 2.207 163 H ALA 21 H ALA 21 -6.279 -6.501 4.127 164 HA ALA 21 HA ALA 21 -6.257 -8.407 6.229 165 1HB ALA 21 1HB ALA 21 -7.553 -5.684 6.138 166 2HB ALA 21 2HB ALA 21 -5.892 -6.020 6.626 167 3HB ALA 21 3HB ALA 21 -7.236 -6.632 7.591 168 H ASP 22 H ASP 22 -8.736 -7.060 4.163 169 HA ASP 22 HA ASP 22 -11.039 -8.126 5.320 170 1HB ASP 22 2HB ASP 22 -11.037 -6.501 3.466 171 2HB ASP 22 1HB ASP 22 -10.396 -7.733 2.388 172 H ARG 23 H ARG 23 -8.852 -9.525 2.903 173 HA ARG 23 HA ARG 23 -10.273 -11.975 2.661 174 1HB ARG 23 2HB ARG 23 -8.501 -10.867 1.078 175 2HB ARG 23 1HB ARG 23 -7.342 -11.746 2.069 176 1HG ARG 23 2HG ARG 23 -8.508 -13.845 1.551 177 2HG ARG 23 1HG ARG 23 -9.632 -12.951 0.526 178 1HD ARG 23 2HD ARG 23 -7.403 -12.127 -0.613 179 2HD ARG 23 1HD ARG 23 -6.763 -13.616 0.085 180 HE ARG 23 HE ARG 23 -9.188 -13.689 -1.584 181 1HH1 ARG 23 1HH1 ARG 23 -5.877 -14.673 -1.001 182 2HH1 ARG 23 2HH1 ARG 23 -5.830 -15.785 -2.334 183 1HH2 ARG 23 1HH2 ARG 23 -9.146 -15.147 -3.329 184 2HH2 ARG 23 2HH2 ARG 23 -7.704 -16.053 -3.666 185 H TYR 24 H TYR 24 -7.604 -10.878 4.663 186 HA TYR 24 HA TYR 24 -6.934 -13.398 5.771 187 1HB TYR 24 2HB TYR 24 -5.527 -11.312 5.877 188 2HB TYR 24 1HB TYR 24 -6.642 -10.686 7.085 189 HD1 TYR 24 1HD TYR 24 -6.466 -11.351 9.369 190 HD2 TYR 24 2HD TYR 24 -4.178 -13.352 6.392 191 HE1 TYR 24 1HE TYR 24 -5.162 -12.470 11.130 192 HE2 TYR 24 2HE TYR 24 -2.867 -14.470 8.141 193 HH TYR 24 HH TYR 24 -3.793 -14.465 11.425 194 H GLN 25 H GLN 25 -9.257 -10.909 6.625 195 HA GLN 25 HA GLN 25 -10.157 -12.009 9.057 196 1HB GLN 25 2HB GLN 25 -10.663 -9.708 8.360 197 2HB GLN 25 1HB GLN 25 -11.642 -10.320 7.035 198 1HG GLN 25 2HG GLN 25 -13.170 -11.347 8.663 199 2HG GLN 25 1HG GLN 25 -12.204 -10.663 9.972 200 1HE2 GLN 25 1HE2 GLN 25 -14.445 -9.995 7.400 201 2HE2 GLN 25 2HE2 GLN 25 -14.834 -8.378 7.894 202 H GLU 26 H GLU 26 -11.277 -12.382 5.716 203 HA GLU 26 HA GLU 26 -13.402 -14.142 6.286 204 1HB GLU 26 2HB GLU 26 -12.962 -12.840 4.132 205 2HB GLU 26 1HB GLU 26 -11.823 -14.114 3.720 206 1HG GLU 26 2HG GLU 26 -13.998 -14.458 2.668 207 2HG GLU 26 1HG GLU 26 -13.596 -15.761 3.788 208 H GLY 27 H GLY 27 -10.170 -14.864 4.926 209 1HA GLY 27 2HA GLY 27 -8.812 -16.535 6.067 210 2HA GLY 27 1HA GLY 27 -10.292 -17.424 6.390 211 H LYS 28 H LYS 28 -10.743 -19.066 5.112 212 HA LYS 28 HA LYS 28 -9.229 -19.290 2.588 213 1HB LYS 28 2HB LYS 28 -10.005 -21.400 4.600 214 2HB LYS 28 1HB LYS 28 -9.415 -21.785 2.991 215 1HG LYS 28 2HG LYS 28 -7.302 -20.692 3.479 216 2HG LYS 28 1HG LYS 28 -7.898 -20.227 5.074 217 1HD LYS 28 2HD LYS 28 -6.422 -22.261 5.046 218 2HD LYS 28 1HD LYS 28 -8.004 -22.498 5.791 219 1HE LYS 28 2HE LYS 28 -8.828 -23.529 3.742 220 2HE LYS 28 1HE LYS 28 -7.275 -23.252 2.960 221 1HZ LYS 28 1HZ LYS 28 -7.261 -24.755 5.464 222 2HZ LYS 28 2HZ LYS 28 -6.306 -24.954 4.073 223 3HZ LYS 28 3HZ LYS 28 -7.899 -25.534 4.102 224 H ASN 29 H ASN 29 -12.285 -19.836 4.217 225 HA ASN 29 HA ASN 29 -14.369 -20.409 3.530 226 1HB ASN 29 2HB ASN 29 -14.156 -18.597 1.882 227 2HB ASN 29 1HB ASN 29 -13.359 -19.697 0.762 228 1HD2 ASN 29 1HD2 ASN 29 -14.827 -19.610 -0.854 229 2HD2 ASN 29 2HD2 ASN 29 -16.451 -20.195 -0.712 230 H SER 30 H SER 30 -12.661 -21.443 0.619 231 HA SER 30 HA SER 30 -12.452 -24.172 1.396 232 1HB SER 30 2HB SER 30 -14.909 -24.020 0.961 233 2HB SER 30 1HB SER 30 -14.556 -23.510 -0.688 234 HG SER 30 HG SER 30 -14.700 -25.609 -0.995 235 H ASN 31 H ASN 31 -10.670 -24.841 0.372 236 HA ASN 31 HA ASN 31 -9.651 -23.347 -1.878 237 1HB ASN 31 2HB ASN 31 -8.590 -25.790 -0.445 238 2HB ASN 31 1HB ASN 31 -7.766 -25.016 -1.791 239 1HD2 ASN 31 1HD2 ASN 31 -8.495 -22.316 -0.942 240 2HD2 ASN 31 2HD2 ASN 31 -7.494 -21.970 0.430 241 H HIS 32 H HIS 32 -11.221 -23.720 -3.450 242 HA HIS 32 HA HIS 32 -11.242 -26.439 -4.566 243 1HB HIS 32 2HB HIS 32 -13.467 -25.482 -4.080 244 2HB HIS 32 1HB HIS 32 -13.106 -24.112 -5.123 245 HD1 HIS 32 1HD HIS 32 -14.032 -27.742 -5.214 246 HD2 HIS 32 2HD HIS 32 -13.331 -24.617 -7.875 247 HE1 HIS 32 1HE HIS 32 -14.887 -28.541 -7.444 248 HE2 HIS 32 2HE HIS 32 -14.640 -26.556 -8.985 249 H SER 33 H SER 33 -9.221 -26.314 -5.536 250 HA SER 33 HA SER 33 -7.730 -25.926 -7.192 251 1HB SER 33 2HB SER 33 -10.054 -24.671 -8.667 252 2HB SER 33 1HB SER 33 -8.555 -25.269 -9.380 253 HG SER 33 HG SER 33 -9.719 -27.153 -7.828 254 H TYR 34 H TYR 34 -6.359 -24.545 -6.208 255 HA TYR 34 HA TYR 34 -6.453 -21.753 -6.949 256 1HB TYR 34 2HB TYR 34 -7.916 -21.732 -4.999 257 2HB TYR 34 1HB TYR 34 -6.717 -22.603 -4.053 258 HD1 TYR 34 1HD TYR 34 -7.195 -19.403 -5.917 259 HD2 TYR 34 2HD TYR 34 -5.221 -21.416 -2.727 260 HE1 TYR 34 1HE TYR 34 -6.269 -17.260 -5.142 261 HE2 TYR 34 2HE TYR 34 -4.290 -19.280 -1.947 262 HH TYR 34 HH TYR 34 -3.767 -17.046 -2.882 263 H ASP 35 H ASP 35 -4.428 -21.067 -7.267 264 HA ASP 35 HA ASP 35 -2.270 -22.075 -5.595 265 1HB ASP 35 2HB ASP 35 -2.337 -23.601 -7.545 266 2HB ASP 35 1HB ASP 35 -2.147 -22.215 -8.616 267 H PHE 36 H PHE 36 -0.341 -20.782 -5.738 268 HA PHE 36 HA PHE 36 -0.959 -18.003 -5.863 269 1HB PHE 36 2HB PHE 36 0.612 -18.981 -4.210 270 2HB PHE 36 1HB PHE 36 1.724 -19.367 -5.516 271 HD1 PHE 36 1HD PHE 36 3.012 -17.629 -6.611 272 HD2 PHE 36 2HD PHE 36 0.338 -16.718 -3.431 273 HE1 PHE 36 1HE PHE 36 4.068 -15.418 -6.363 274 HE2 PHE 36 2HE PHE 36 1.380 -14.509 -3.178 275 HZ PHE 36 HZ PHE 36 3.247 -13.852 -4.643 276 H PHE 37 H PHE 37 1.030 -20.178 -7.860 277 HA PHE 37 HA PHE 37 2.093 -17.949 -9.355 278 1HB PHE 37 2HB PHE 37 2.449 -20.931 -9.627 279 2HB PHE 37 1HB PHE 37 3.242 -19.756 -10.673 280 HD1 PHE 37 1HD PHE 37 3.135 -21.224 -7.335 281 HD2 PHE 37 2HD PHE 37 4.990 -18.309 -9.819 282 HE1 PHE 37 1HE PHE 37 4.955 -20.986 -5.693 283 HE2 PHE 37 2HE PHE 37 6.812 -18.067 -8.185 284 HZ PHE 37 HZ PHE 37 6.797 -19.407 -6.118 285 H GLU 38 H GLU 38 -0.656 -19.933 -9.616 286 HA GLU 38 HA GLU 38 -0.806 -19.853 -12.482 287 1HB GLU 38 2HB GLU 38 -2.830 -20.681 -10.406 288 2HB GLU 38 1HB GLU 38 -3.099 -20.790 -12.142 289 1HG GLU 38 2HG GLU 38 -1.048 -22.233 -12.260 290 2HG GLU 38 1HG GLU 38 -1.061 -22.262 -10.498 291 H THR 39 H THR 39 -2.002 -17.825 -9.879 292 HA THR 39 HA THR 39 -3.328 -16.206 -11.939 293 HB THR 39 HB THR 39 -5.058 -17.472 -10.765 294 HG1 THR 39 1HG THR 39 -4.933 -14.665 -10.420 295 1HG2 THR 39 1HG2 THR 39 -5.541 -17.056 -8.403 296 2HG2 THR 39 2HG2 THR 39 -4.097 -16.049 -8.286 297 3HG2 THR 39 3HG2 THR 39 -3.943 -17.775 -8.615 298 H ILE 40 H ILE 40 -1.399 -16.235 -9.036 299 HA ILE 40 HA ILE 40 -1.812 -13.365 -8.633 300 HB ILE 40 HB ILE 40 -0.155 -15.240 -6.942 301 1HG1 ILE 40 2HG1 ILE 40 -3.048 -14.439 -6.550 302 2HG1 ILE 40 1HG1 ILE 40 -2.517 -16.011 -7.137 303 1HG2 ILE 40 1HG2 ILE 40 -0.544 -13.553 -5.190 304 2HG2 ILE 40 2HG2 ILE 40 -1.389 -12.549 -6.369 305 3HG2 ILE 40 3HG2 ILE 40 0.328 -12.894 -6.575 306 1HD1 ILE 40 1HD1 ILE 40 -3.075 -16.127 -4.794 307 2HD1 ILE 40 2HD1 ILE 40 -1.935 -14.831 -4.430 308 3HD1 ILE 40 3HD1 ILE 40 -1.345 -16.386 -5.019 309 H LYS 41 H LYS 41 0.151 -15.289 -10.428 310 HA LYS 41 HA LYS 41 2.744 -14.433 -10.031 311 1HB LYS 41 2HB LYS 41 2.153 -16.271 -11.520 312 2HB LYS 41 1HB LYS 41 1.405 -15.147 -12.644 313 1HG LYS 41 2HG LYS 41 3.616 -14.089 -12.988 314 2HG LYS 41 1HG LYS 41 4.329 -15.321 -11.945 315 1HD LYS 41 2HD LYS 41 4.617 -15.937 -14.275 316 2HD LYS 41 1HD LYS 41 3.512 -17.065 -13.487 317 1HE LYS 41 2HE LYS 41 2.620 -16.512 -15.642 318 2HE LYS 41 1HE LYS 41 1.610 -15.758 -14.411 319 1HZ LYS 41 1HZ LYS 41 3.599 -14.460 -16.180 320 2HZ LYS 41 2HZ LYS 41 2.995 -13.697 -14.798 321 3HZ LYS 41 3HZ LYS 41 1.939 -14.133 -16.049 322 HA PRO 42 HA PRO 42 2.204 -10.783 -13.118 323 1HB PRO 42 2HB PRO 42 -0.282 -9.983 -13.817 324 2HB PRO 42 1HB PRO 42 0.609 -11.220 -14.714 325 1HG PRO 42 2HG PRO 42 -1.532 -11.552 -12.644 326 2HG PRO 42 1HG PRO 42 -1.329 -12.403 -14.187 327 1HD PRO 42 2HD PRO 42 -0.592 -13.482 -11.816 328 2HD PRO 42 1HD PRO 42 0.264 -13.826 -13.332 329 H ALA 43 H ALA 43 0.144 -11.262 -10.413 330 HA ALA 43 HA ALA 43 -0.514 -8.525 -9.931 331 1HB ALA 43 1HB ALA 43 -0.521 -10.835 -7.994 332 2HB ALA 43 2HB ALA 43 -1.856 -10.390 -9.060 333 3HB ALA 43 3HB ALA 43 -1.337 -9.284 -7.787 334 H VAL 44 H VAL 44 2.079 -10.666 -8.933 335 HA VAL 44 HA VAL 44 3.180 -9.038 -6.916 336 HB VAL 44 HB VAL 44 4.657 -10.938 -8.742 337 1HG1 VAL 44 1HG1 VAL 44 6.145 -9.488 -7.479 338 2HG1 VAL 44 2HG1 VAL 44 6.249 -11.158 -6.916 339 3HG1 VAL 44 3HG1 VAL 44 5.349 -9.966 -5.976 340 1HG2 VAL 44 1HG2 VAL 44 4.279 -12.641 -7.030 341 2HG2 VAL 44 2HG2 VAL 44 2.759 -12.050 -7.704 342 3HG2 VAL 44 3HG2 VAL 44 3.290 -11.501 -6.114 343 H GLU 45 H GLU 45 3.589 -9.092 -10.415 344 HA GLU 45 HA GLU 45 5.758 -7.304 -10.588 345 1HB GLU 45 2HB GLU 45 3.556 -7.858 -12.577 346 2HB GLU 45 1HB GLU 45 5.076 -7.054 -12.929 347 1HG GLU 45 2HG GLU 45 4.687 -9.907 -12.084 348 2HG GLU 45 1HG GLU 45 5.222 -9.315 -13.653 349 H GLU 46 H GLU 46 2.267 -6.855 -10.845 350 HA GLU 46 HA GLU 46 2.136 -4.156 -11.459 351 1HB GLU 46 2HB GLU 46 0.288 -6.007 -11.158 352 2HB GLU 46 1HB GLU 46 0.180 -5.334 -9.551 353 1HG GLU 46 2HG GLU 46 -1.482 -4.297 -10.896 354 2HG GLU 46 1HG GLU 46 -0.223 -3.107 -10.560 355 H ASN 47 H ASN 47 1.778 -5.630 -8.272 356 HA ASN 47 HA ASN 47 1.623 -3.234 -6.840 357 1HB ASN 47 2HB ASN 47 2.386 -6.016 -5.958 358 2HB ASN 47 1HB ASN 47 2.235 -4.670 -4.834 359 1HD2 ASN 47 1HD2 ASN 47 0.550 -6.904 -6.874 360 2HD2 ASN 47 2HD2 ASN 47 -1.043 -6.515 -6.321 361 H ASP 48 H ASP 48 4.448 -5.154 -7.720 362 HA ASP 48 HA ASP 48 6.305 -3.801 -6.081 363 1HB ASP 48 2HB ASP 48 6.781 -5.975 -7.152 364 2HB ASP 48 1HB ASP 48 6.796 -5.186 -8.727 365 H GLU 49 H GLU 49 5.549 -3.377 -9.552 366 HA GLU 49 HA GLU 49 7.108 -1.080 -9.950 367 1HB GLU 49 2HB GLU 49 4.602 -2.038 -11.318 368 2HB GLU 49 1HB GLU 49 5.560 -0.671 -11.878 369 1HG GLU 49 2HG GLU 49 6.646 -3.451 -11.533 370 2HG GLU 49 1HG GLU 49 6.022 -2.804 -13.040 371 H LEU 50 H LEU 50 3.801 -1.523 -8.871 372 HA LEU 50 HA LEU 50 2.908 1.119 -8.931 373 1HB LEU 50 2HB LEU 50 1.697 -1.151 -8.410 374 2HB LEU 50 1HB LEU 50 2.098 -0.766 -6.748 375 HG LEU 50 HG LEU 50 0.923 1.489 -7.207 376 1HD1 LEU 50 1HD1 LEU 50 0.775 1.287 -9.616 377 2HD1 LEU 50 2HD1 LEU 50 -0.844 1.351 -8.913 378 3HD1 LEU 50 3HD1 LEU 50 -0.178 -0.192 -9.456 379 1HD2 LEU 50 1HD2 LEU 50 -0.638 -1.088 -7.069 380 2HD2 LEU 50 2HD2 LEU 50 -1.252 0.508 -6.642 381 3HD2 LEU 50 3HD2 LEU 50 0.055 -0.212 -5.704 382 H ALA 51 H ALA 51 4.304 -0.730 -6.227 383 HA ALA 51 HA ALA 51 4.302 1.409 -4.390 384 1HB ALA 51 1HB ALA 51 5.777 0.010 -3.036 385 2HB ALA 51 2HB ALA 51 6.044 -1.052 -4.418 386 3HB ALA 51 3HB ALA 51 4.439 -0.924 -3.704 387 H ALA 52 H ALA 52 6.714 0.244 -6.687 388 HA ALA 52 HA ALA 52 8.879 1.808 -5.816 389 1HB ALA 52 1HB ALA 52 9.103 -0.067 -7.379 390 2HB ALA 52 2HB ALA 52 9.846 1.403 -8.010 391 3HB ALA 52 3HB ALA 52 8.277 0.876 -8.619 392 H ARG 53 H ARG 53 6.568 2.439 -8.464 393 HA ARG 53 HA ARG 53 7.562 5.021 -9.014 394 1HB ARG 53 2HB ARG 53 5.704 3.256 -10.139 395 2HB ARG 53 1HB ARG 53 4.779 4.694 -9.727 396 1HG ARG 53 2HG ARG 53 7.333 4.759 -11.308 397 2HG ARG 53 1HG ARG 53 5.728 4.662 -12.030 398 1HD ARG 53 2HD ARG 53 5.319 6.837 -11.677 399 2HD ARG 53 1HD ARG 53 5.970 6.779 -10.040 400 HE ARG 53 HE ARG 53 8.229 6.801 -11.304 401 1HH1 ARG 53 1HH1 ARG 53 5.341 8.454 -12.425 402 2HH1 ARG 53 2HH1 ARG 53 6.227 9.810 -13.068 403 1HH2 ARG 53 1HH2 ARG 53 9.377 8.575 -12.154 404 2HH2 ARG 53 2HH2 ARG 53 8.510 9.869 -12.935 405 H TRP 54 H TRP 54 5.063 3.832 -6.846 406 HA TRP 54 HA TRP 54 3.836 6.292 -6.264 407 1HB TRP 54 2HB TRP 54 2.893 4.095 -5.624 408 2HB TRP 54 1HB TRP 54 4.176 3.905 -4.432 409 HD1 TRP 54 HD TRP 54 1.070 6.076 -5.132 410 HE1 TRP 54 1HE TRP 54 0.228 7.038 -2.897 411 HE3 TRP 54 3HE TRP 54 4.837 4.437 -2.080 412 HZ2 TRP 54 2HZ TRP 54 1.061 7.093 -0.198 413 HZ3 TRP 54 3HZ TRP 54 4.739 4.993 0.315 414 HH2 TRP 54 HH TRP 54 2.891 6.294 1.236 415 H ALA 55 H ALA 55 6.469 4.575 -4.587 416 HA ALA 55 HA ALA 55 6.936 6.526 -2.620 417 1HB ALA 55 1HB ALA 55 7.795 4.244 -2.471 418 2HB ALA 55 2HB ALA 55 9.092 5.424 -2.299 419 3HB ALA 55 3HB ALA 55 8.884 4.560 -3.822 420 H GLU 56 H GLU 56 8.400 6.054 -5.823 421 HA GLU 56 HA GLU 56 10.274 8.068 -5.738 422 1HB GLU 56 2HB GLU 56 9.963 6.160 -7.391 423 2HB GLU 56 1HB GLU 56 8.729 7.154 -8.161 424 1HG GLU 56 2HG GLU 56 10.396 8.909 -8.426 425 2HG GLU 56 1HG GLU 56 11.616 7.808 -7.807 426 H GLY 57 H GLY 57 6.883 8.092 -6.789 427 1HA GLY 57 2HA GLY 57 6.847 10.805 -7.623 428 2HA GLY 57 1HA GLY 57 5.439 9.826 -7.232 429 H ALA 58 H ALA 58 5.979 9.222 -4.571 430 HA ALA 58 HA ALA 58 5.044 11.502 -3.237 431 1HB ALA 58 1HB ALA 58 4.691 9.240 -2.395 432 2HB ALA 58 2HB ALA 58 5.452 10.262 -1.174 433 3HB ALA 58 3HB ALA 58 6.416 9.087 -2.067 434 H LEU 59 H LEU 59 8.308 10.137 -3.491 435 HA LEU 59 HA LEU 59 9.609 11.934 -1.793 436 1HB LEU 59 2HB LEU 59 10.528 10.343 -4.176 437 2HB LEU 59 1HB LEU 59 11.614 11.296 -3.200 438 HG LEU 59 HG LEU 59 9.969 8.968 -2.216 439 1HD1 LEU 59 1HD1 LEU 59 11.776 8.246 -3.665 440 2HD1 LEU 59 2HD1 LEU 59 12.134 7.835 -1.987 441 3HD1 LEU 59 3HD1 LEU 59 12.927 9.215 -2.745 442 1HD2 LEU 59 1HD2 LEU 59 11.233 9.191 -0.148 443 2HD2 LEU 59 2HD2 LEU 59 10.316 10.660 -0.485 444 3HD2 LEU 59 3HD2 LEU 59 12.053 10.616 -0.788 445 H GLU 60 H GLU 60 8.917 12.066 -5.255 446 HA GLU 60 HA GLU 60 10.285 14.433 -5.869 447 1HB GLU 60 2HB GLU 60 9.280 12.803 -7.505 448 2HB GLU 60 1HB GLU 60 7.702 13.471 -7.118 449 1HG GLU 60 2HG GLU 60 8.470 14.447 -9.152 450 2HG GLU 60 1HG GLU 60 8.496 15.680 -7.894 451 H LEU 61 H LEU 61 6.959 13.896 -4.759 452 HA LEU 61 HA LEU 61 6.166 16.599 -4.889 453 1HB LEU 61 2HB LEU 61 5.087 14.131 -3.665 454 2HB LEU 61 1HB LEU 61 4.519 15.644 -2.989 455 HG LEU 61 HG LEU 61 2.978 14.819 -4.686 456 1HD1 LEU 61 1HD1 LEU 61 2.848 16.818 -6.081 457 2HD1 LEU 61 2HD1 LEU 61 4.484 17.265 -5.595 458 3HD1 LEU 61 3HD1 LEU 61 3.189 17.223 -4.399 459 1HD2 LEU 61 1HD2 LEU 61 3.623 14.683 -7.033 460 2HD2 LEU 61 2HD2 LEU 61 4.558 13.554 -6.053 461 3HD2 LEU 61 3HD2 LEU 61 5.292 15.059 -6.605 462 H ILE 62 H ILE 62 7.496 14.668 -2.214 463 HA ILE 62 HA ILE 62 7.108 16.780 -0.324 464 HB ILE 62 HB ILE 62 8.332 15.409 1.269 465 1HG1 ILE 62 2HG1 ILE 62 8.776 13.479 -1.020 466 2HG1 ILE 62 1HG1 ILE 62 10.021 14.507 -0.318 467 1HG2 ILE 62 1HG2 ILE 62 5.981 14.966 0.941 468 2HG2 ILE 62 2HG2 ILE 62 6.837 13.457 1.261 469 3HG2 ILE 62 3HG2 ILE 62 6.343 13.860 -0.385 470 1HD1 ILE 62 1HD1 ILE 62 8.522 12.306 1.084 471 2HD1 ILE 62 2HD1 ILE 62 9.715 13.365 1.838 472 3HD1 ILE 62 3HD1 ILE 62 10.202 12.266 0.548 473 H LYS 63 H LYS 63 9.656 16.018 -2.547 474 HA LYS 63 HA LYS 63 11.607 17.579 -1.110 475 1HB LYS 63 2HB LYS 63 13.045 17.304 -3.077 476 2HB LYS 63 1HB LYS 63 12.386 15.766 -2.547 477 1HG LYS 63 2HG LYS 63 12.077 15.538 -4.772 478 2HG LYS 63 1HG LYS 63 10.560 16.341 -4.371 479 1HD LYS 63 2HD LYS 63 11.222 17.634 -6.132 480 2HD LYS 63 1HD LYS 63 12.004 18.512 -4.816 481 1HE LYS 63 2HE LYS 63 13.562 18.222 -6.643 482 2HE LYS 63 1HE LYS 63 14.085 17.263 -5.257 483 1HZ LYS 63 1HZ LYS 63 12.444 16.084 -7.417 484 2HZ LYS 63 2HZ LYS 63 13.421 15.290 -6.276 485 3HZ LYS 63 3HZ LYS 63 14.135 16.166 -7.540 486 H VAL 64 H VAL 64 9.202 18.131 -3.583 487 HA VAL 64 HA VAL 64 10.053 20.839 -4.092 488 HB VAL 64 HB VAL 64 7.429 19.472 -4.721 489 1HG1 VAL 64 1HG1 VAL 64 7.049 21.332 -6.279 490 2HG1 VAL 64 2HG1 VAL 64 8.518 22.113 -5.693 491 3HG1 VAL 64 3HG1 VAL 64 7.146 21.887 -4.607 492 1HG2 VAL 64 1HG2 VAL 64 9.289 18.447 -5.887 493 2HG2 VAL 64 2HG2 VAL 64 9.838 20.027 -6.447 494 3HG2 VAL 64 3HG2 VAL 64 8.303 19.373 -7.020 495 H ARG 65 H ARG 65 7.388 19.307 -2.311 496 HA ARG 65 HA ARG 65 7.220 21.722 -0.637 497 1HB ARG 65 2HB ARG 65 4.956 20.051 -1.744 498 2HB ARG 65 1HB ARG 65 4.751 21.204 -0.432 499 1HG ARG 65 2HG ARG 65 5.303 23.032 -1.819 500 2HG ARG 65 1HG ARG 65 5.882 21.974 -3.103 501 1HD ARG 65 2HD ARG 65 3.690 22.912 -3.635 502 2HD ARG 65 1HD ARG 65 3.622 21.159 -3.477 503 HE ARG 65 HE ARG 65 2.564 21.460 -1.320 504 1HH1 ARG 65 1HH1 ARG 65 2.859 24.372 -3.258 505 2HH1 ARG 65 2HH1 ARG 65 1.437 25.110 -2.585 506 1HH2 ARG 65 1HH2 ARG 65 0.686 22.429 -0.441 507 2HH2 ARG 65 2HH2 ARG 65 0.214 24.019 -0.980 508 H ARG 66 H ARG 66 7.576 21.326 1.422 509 HA ARG 66 HA ARG 66 8.587 18.922 2.307 510 1HB ARG 66 2HB ARG 66 7.347 21.054 4.047 511 2HB ARG 66 1HB ARG 66 8.523 19.849 4.550 512 1HG ARG 66 2HG ARG 66 10.144 20.852 2.961 513 2HG ARG 66 1HG ARG 66 8.966 22.127 2.636 514 1HD ARG 66 2HD ARG 66 8.946 22.576 5.113 515 2HD ARG 66 1HD ARG 66 10.328 21.492 5.242 516 HE ARG 66 HE ARG 66 10.322 24.001 3.693 517 1HH1 ARG 66 1HH1 ARG 66 11.980 21.568 5.591 518 2HH1 ARG 66 2HH1 ARG 66 13.475 22.446 5.638 519 1HH2 ARG 66 1HH2 ARG 66 12.304 25.164 3.783 520 2HH2 ARG 66 2HH2 ARG 66 13.654 24.476 4.634 521 HA PRO 67 HA PRO 67 5.081 16.394 3.395 522 1HB PRO 67 2HB PRO 67 6.397 14.691 5.062 523 2HB PRO 67 1HB PRO 67 6.496 14.587 3.301 524 1HG PRO 67 2HG PRO 67 8.423 15.804 5.239 525 2HG PRO 67 1HG PRO 67 8.750 14.806 3.811 526 1HD PRO 67 2HD PRO 67 9.005 17.501 3.791 527 2HD PRO 67 1HD PRO 67 8.506 16.578 2.359 528 H LYS 68 H LYS 68 3.580 17.056 4.784 529 HA LYS 68 HA LYS 68 4.417 18.418 7.223 530 1HB LYS 68 2HB LYS 68 1.648 18.242 6.030 531 2HB LYS 68 1HB LYS 68 2.230 19.407 7.216 532 1HG LYS 68 2HG LYS 68 3.590 20.498 5.625 533 2HG LYS 68 1HG LYS 68 3.398 19.190 4.459 534 1HD LYS 68 2HD LYS 68 0.869 19.799 4.621 535 2HD LYS 68 1HD LYS 68 1.479 21.339 5.233 536 1HE LYS 68 2HE LYS 68 1.107 21.360 2.791 537 2HE LYS 68 1HE LYS 68 2.788 21.666 3.230 538 1HZ LYS 68 1HZ LYS 68 2.363 20.053 1.335 539 2HZ LYS 68 2HZ LYS 68 1.818 18.957 2.513 540 3HZ LYS 68 3HZ LYS 68 3.416 19.529 2.556 541 H TYR 69 H TYR 69 1.714 16.235 6.401 542 HA TYR 69 HA TYR 69 1.609 15.265 9.113 543 1HB TYR 69 2HB TYR 69 0.083 14.565 6.611 544 2HB TYR 69 1HB TYR 69 -0.129 13.675 8.114 545 HD1 TYR 69 1HD TYR 69 -0.727 16.848 6.386 546 HD2 TYR 69 2HD TYR 69 -1.211 14.698 10.027 547 HE1 TYR 69 1HE TYR 69 -2.370 18.511 7.146 548 HE2 TYR 69 2HE TYR 69 -2.856 16.355 10.795 549 HH TYR 69 HH TYR 69 -3.438 18.716 10.356 550 H VAL 70 H VAL 70 2.300 13.804 5.954 551 HA VAL 70 HA VAL 70 3.199 11.351 7.148 552 HB VAL 70 HB VAL 70 2.083 11.403 4.940 553 1HG1 VAL 70 1HG1 VAL 70 3.008 13.473 4.071 554 2HG1 VAL 70 2HG1 VAL 70 3.313 12.141 2.955 555 3HG1 VAL 70 3HG1 VAL 70 4.611 12.742 3.987 556 1HG2 VAL 70 1HG2 VAL 70 3.476 9.500 5.521 557 2HG2 VAL 70 2HG2 VAL 70 4.896 10.319 4.873 558 3HG2 VAL 70 3HG2 VAL 70 3.586 9.842 3.794 559 H HIS 71 H HIS 71 5.345 10.533 7.071 560 HA HIS 71 HA HIS 71 7.411 12.630 6.866 561 1HB HIS 71 2HB HIS 71 7.380 10.176 8.647 562 2HB HIS 71 1HB HIS 71 8.733 11.291 8.497 563 HD1 HIS 71 1HD HIS 71 8.515 13.591 9.673 564 HD2 HIS 71 2HD HIS 71 5.241 11.084 10.205 565 HE1 HIS 71 1HE HIS 71 7.151 14.636 11.503 566 HE2 HIS 71 2HE HIS 71 5.359 12.942 12.005 567 H LYS 72 H LYS 72 9.500 11.925 6.009 568 HA LYS 72 HA LYS 72 9.189 10.257 3.740 569 1HB LYS 72 2HB LYS 72 11.526 10.593 3.311 570 2HB LYS 72 1HB LYS 72 10.855 12.108 3.890 571 1HG LYS 72 2HG LYS 72 11.838 11.785 6.054 572 2HG LYS 72 1HG LYS 72 12.382 10.166 5.610 573 1HD LYS 72 2HD LYS 72 13.758 11.222 3.803 574 2HD LYS 72 1HD LYS 72 13.327 12.795 4.478 575 1HE LYS 72 2HE LYS 72 14.359 12.198 6.590 576 2HE LYS 72 1HE LYS 72 14.726 10.585 5.978 577 1HZ LYS 72 1HZ LYS 72 16.679 11.899 5.809 578 2HZ LYS 72 2HZ LYS 72 15.852 13.164 5.039 579 3HZ LYS 72 3HZ LYS 72 16.086 11.693 4.232 580 H GLU 73 H GLU 73 10.449 9.732 6.956 581 HA GLU 73 HA GLU 73 11.538 7.198 6.755 582 1HB GLU 73 2HB GLU 73 11.636 8.490 8.807 583 2HB GLU 73 1HB GLU 73 9.885 8.439 8.966 584 1HG GLU 73 2HG GLU 73 10.018 5.994 9.252 585 2HG GLU 73 1HG GLU 73 11.778 6.110 9.190 586 H GLN 74 H GLN 74 8.179 8.186 7.156 587 HA GLN 74 HA GLN 74 7.105 5.581 7.337 588 1HB GLN 74 2HB GLN 74 5.851 8.237 6.636 589 2HB GLN 74 1HB GLN 74 4.933 6.754 6.825 590 1HG GLN 74 2HG GLN 74 6.593 8.095 8.943 591 2HG GLN 74 1HG GLN 74 4.833 8.098 8.836 592 1HE2 GLN 74 1HE2 GLN 74 6.581 7.142 10.966 593 2HE2 GLN 74 2HE2 GLN 74 6.170 5.472 11.202 594 H ILE 75 H ILE 75 7.502 7.847 4.633 595 HA ILE 75 HA ILE 75 6.122 6.347 2.706 596 HB ILE 75 HB ILE 75 8.454 8.223 2.295 597 1HG1 ILE 75 2HG1 ILE 75 5.470 8.713 2.167 598 2HG1 ILE 75 1HG1 ILE 75 6.528 9.229 3.474 599 1HG2 ILE 75 1HG2 ILE 75 7.582 8.461 0.002 600 2HG2 ILE 75 2HG2 ILE 75 6.397 7.199 0.340 601 3HG2 ILE 75 3HG2 ILE 75 8.119 6.817 0.345 602 1HD1 ILE 75 1HD1 ILE 75 7.733 10.678 1.924 603 2HD1 ILE 75 2HD1 ILE 75 6.014 11.068 1.979 604 3HD1 ILE 75 3HD1 ILE 75 6.670 10.159 0.617 605 H GLU 76 H GLU 76 9.524 6.267 3.701 606 HA GLU 76 HA GLU 76 10.308 4.406 1.686 607 1HB GLU 76 2HB GLU 76 11.663 5.126 4.291 608 2HB GLU 76 1HB GLU 76 12.397 4.199 2.991 609 1HG GLU 76 2HG GLU 76 12.098 6.155 1.494 610 2HG GLU 76 1HG GLU 76 11.506 7.072 2.878 611 H ALA 77 H ALA 77 9.122 4.139 4.966 612 HA ALA 77 HA ALA 77 9.703 1.348 5.232 613 1HB ALA 77 1HB ALA 77 9.563 2.808 7.183 614 2HB ALA 77 2HB ALA 77 8.401 1.485 7.294 615 3HB ALA 77 3HB ALA 77 7.857 3.104 6.847 616 H VAL 78 H VAL 78 6.806 3.240 4.430 617 HA VAL 78 HA VAL 78 4.985 1.102 4.547 618 HB VAL 78 HB VAL 78 4.850 3.746 3.103 619 1HG1 VAL 78 1HG1 VAL 78 2.454 3.322 2.761 620 2HG1 VAL 78 2HG1 VAL 78 2.663 1.681 3.372 621 3HG1 VAL 78 3HG1 VAL 78 3.452 2.170 1.873 622 1HG2 VAL 78 1HG2 VAL 78 3.212 4.254 4.874 623 2HG2 VAL 78 2HG2 VAL 78 4.810 3.879 5.517 624 3HG2 VAL 78 3HG2 VAL 78 3.526 2.672 5.591 625 H LYS 79 H LYS 79 7.010 2.279 1.896 626 HA LYS 79 HA LYS 79 5.898 0.768 -0.178 627 1HB LYS 79 2HB LYS 79 7.668 2.459 -0.528 628 2HB LYS 79 1HB LYS 79 8.826 1.392 0.259 629 1HG LYS 79 2HG LYS 79 8.262 -0.312 -1.525 630 2HG LYS 79 1HG LYS 79 7.418 0.992 -2.362 631 1HD LYS 79 2HD LYS 79 9.480 2.285 -2.457 632 2HD LYS 79 1HD LYS 79 10.332 1.013 -1.576 633 1HE LYS 79 2HE LYS 79 9.712 -0.557 -3.427 634 2HE LYS 79 1HE LYS 79 9.101 0.836 -4.318 635 1HZ LYS 79 1HZ LYS 79 11.339 0.320 -4.995 636 2HZ LYS 79 2HZ LYS 79 11.894 0.427 -3.398 637 3HZ LYS 79 3HZ LYS 79 11.323 1.815 -4.194 638 H ASP 80 H ASP 80 8.431 -0.084 2.148 639 HA ASP 80 HA ASP 80 8.818 -2.741 1.243 640 1HB ASP 80 2HB ASP 80 10.516 -1.657 2.587 641 2HB ASP 80 1HB ASP 80 9.384 -1.440 3.915 642 H ASN 81 H ASN 81 6.828 -1.307 3.786 643 HA ASN 81 HA ASN 81 5.843 -3.705 4.877 644 1HB ASN 81 2HB ASN 81 4.616 -0.941 4.826 645 2HB ASN 81 1HB ASN 81 3.983 -2.284 5.771 646 1HD2 ASN 81 1HD2 ASN 81 4.948 0.268 6.699 647 2HD2 ASN 81 2HD2 ASN 81 6.263 -0.060 7.779 648 H PHE 82 H PHE 82 4.774 -1.764 2.147 649 HA PHE 82 HA PHE 82 2.259 -3.013 1.813 650 1HB PHE 82 2HB PHE 82 2.772 -0.848 0.795 651 2HB PHE 82 1HB PHE 82 4.001 -1.601 -0.216 652 HD1 PHE 82 1HD PHE 82 0.400 -2.169 0.608 653 HD2 PHE 82 2HD PHE 82 3.399 -1.921 -2.399 654 HE1 PHE 82 1HE PHE 82 -1.299 -2.606 -1.115 655 HE2 PHE 82 2HE PHE 82 1.703 -2.356 -4.130 656 HZ PHE 82 HZ PHE 82 -0.648 -2.699 -3.486 657 H LEU 83 H LEU 83 5.394 -3.551 0.199 658 HA LEU 83 HA LEU 83 4.517 -5.719 -1.380 659 1HB LEU 83 2HB LEU 83 7.250 -4.884 -0.425 660 2HB LEU 83 1HB LEU 83 7.004 -6.276 -1.465 661 HG LEU 83 HG LEU 83 6.177 -3.459 -2.176 662 1HD1 LEU 83 1HD1 LEU 83 8.093 -3.511 -3.709 663 2HD1 LEU 83 2HD1 LEU 83 8.583 -5.061 -3.028 664 3HD1 LEU 83 3HD1 LEU 83 8.595 -3.612 -2.023 665 1HD2 LEU 83 1HD2 LEU 83 5.920 -4.384 -4.425 666 2HD2 LEU 83 2HD2 LEU 83 4.846 -5.179 -3.271 667 3HD2 LEU 83 3HD2 LEU 83 6.319 -5.987 -3.809 668 H GLU 84 H GLU 84 5.978 -5.555 1.832 669 HA GLU 84 HA GLU 84 6.107 -8.320 2.326 670 1HB GLU 84 2HB GLU 84 6.302 -5.859 3.878 671 2HB GLU 84 1HB GLU 84 5.551 -7.165 4.785 672 1HG GLU 84 2HG GLU 84 8.195 -7.374 3.369 673 2HG GLU 84 1HG GLU 84 7.997 -7.014 5.085 674 H LEU 85 H LEU 85 3.533 -5.951 2.844 675 HA LEU 85 HA LEU 85 1.733 -7.553 4.243 676 1HB LEU 85 2HB LEU 85 1.751 -4.978 3.416 677 2HB LEU 85 1HB LEU 85 0.601 -5.649 2.279 678 HG LEU 85 HG LEU 85 0.338 -5.835 5.284 679 1HD1 LEU 85 1HD1 LEU 85 0.161 -3.527 4.504 680 2HD1 LEU 85 2HD1 LEU 85 -1.392 -4.143 5.070 681 3HD1 LEU 85 3HD1 LEU 85 -1.069 -4.016 3.340 682 1HD2 LEU 85 1HD2 LEU 85 -1.584 -6.508 3.060 683 2HD2 LEU 85 2HD2 LEU 85 -1.976 -6.503 4.781 684 3HD2 LEU 85 3HD2 LEU 85 -0.795 -7.651 4.146 685 H VAL 86 H VAL 86 2.128 -7.080 0.749 686 HA VAL 86 HA VAL 86 0.026 -8.685 -0.134 687 HB VAL 86 HB VAL 86 2.738 -8.320 -1.430 688 1HG1 VAL 86 1HG1 VAL 86 1.612 -8.902 -3.523 689 2HG1 VAL 86 2HG1 VAL 86 0.124 -9.225 -2.633 690 3HG1 VAL 86 3HG1 VAL 86 1.548 -10.230 -2.364 691 1HG2 VAL 86 1HG2 VAL 86 0.163 -6.803 -1.829 692 2HG2 VAL 86 2HG2 VAL 86 1.658 -6.562 -2.737 693 3HG2 VAL 86 3HG2 VAL 86 1.604 -6.203 -1.009 694 H LEU 87 H LEU 87 3.402 -9.574 0.567 695 HA LEU 87 HA LEU 87 3.092 -12.305 -0.108 696 1HB LEU 87 2HB LEU 87 5.259 -11.114 -0.026 697 2HB LEU 87 1HB LEU 87 5.126 -11.029 1.719 698 HG LEU 87 HG LEU 87 5.185 -13.499 1.826 699 1HD1 LEU 87 1HD1 LEU 87 4.268 -13.953 -0.401 700 2HD1 LEU 87 2HD1 LEU 87 5.797 -14.790 -0.135 701 3HD1 LEU 87 3HD1 LEU 87 5.750 -13.334 -1.131 702 1HD2 LEU 87 1HD2 LEU 87 7.497 -12.254 0.344 703 2HD2 LEU 87 2HD2 LEU 87 7.552 -13.740 1.290 704 3HD2 LEU 87 3HD2 LEU 87 7.236 -12.200 2.087 705 H GLN 88 H GLN 88 2.963 -10.593 3.011 706 HA GLN 88 HA GLN 88 2.790 -12.960 4.569 707 1HB GLN 88 2HB GLN 88 2.175 -11.474 6.434 708 2HB GLN 88 1HB GLN 88 3.591 -10.904 5.565 709 1HG GLN 88 2HG GLN 88 2.145 -9.300 4.359 710 2HG GLN 88 1HG GLN 88 0.792 -9.823 5.359 711 1HE2 GLN 88 1HE2 GLN 88 0.673 -9.148 7.477 712 2HE2 GLN 88 2HE2 GLN 88 1.716 -7.941 8.139 713 H SER 89 H SER 89 0.432 -11.189 2.783 714 HA SER 89 HA SER 89 -1.852 -12.088 4.220 715 1HB SER 89 2HB SER 89 -1.573 -11.113 1.371 716 2HB SER 89 1HB SER 89 -3.111 -11.407 2.183 717 HG SER 89 HG SER 89 -1.149 -9.452 2.755 718 H TYR 90 H TYR 90 0.222 -13.555 1.864 719 HA TYR 90 HA TYR 90 -1.748 -15.678 1.399 720 1HB TYR 90 2HB TYR 90 0.869 -15.121 -0.008 721 2HB TYR 90 1HB TYR 90 -0.238 -16.431 -0.407 722 HD1 TYR 90 1HD TYR 90 0.782 -13.294 -1.392 723 HD2 TYR 90 2HD TYR 90 -2.786 -15.506 -0.721 724 HE1 TYR 90 1HE TYR 90 -0.431 -11.787 -2.907 725 HE2 TYR 90 2HE TYR 90 -4.010 -14.004 -2.235 726 HH TYR 90 HH TYR 90 -3.784 -11.667 -3.092 727 H VAL 91 H VAL 91 1.746 -15.401 2.124 728 HA VAL 91 HA VAL 91 1.895 -18.182 2.820 729 HB VAL 91 HB VAL 91 4.220 -17.753 3.422 730 1HG1 VAL 91 1HG1 VAL 91 3.362 -16.427 0.854 731 2HG1 VAL 91 2HG1 VAL 91 3.696 -18.143 1.095 732 3HG1 VAL 91 3HG1 VAL 91 5.001 -16.963 1.224 733 1HG2 VAL 91 1HG2 VAL 91 3.958 -15.561 4.457 734 2HG2 VAL 91 2HG2 VAL 91 3.591 -14.853 2.883 735 3HG2 VAL 91 3HG2 VAL 91 5.192 -15.523 3.197 736 H HIS 92 H HIS 92 1.148 -15.318 4.516 737 HA HIS 92 HA HIS 92 0.535 -14.887 6.656 738 1HB HIS 92 2HB HIS 92 0.211 -17.893 6.764 739 2HB HIS 92 1HB HIS 92 -0.425 -16.767 7.956 740 HD1 HIS 92 1HD HIS 92 -1.876 -18.768 5.720 741 HD2 HIS 92 2HD HIS 92 -1.812 -14.612 5.912 742 HE1 HIS 92 1HE HIS 92 -3.877 -17.997 4.405 743 HE2 HIS 92 2HE HIS 92 -3.650 -15.489 4.319 744 H HIS 93 H HIS 93 3.290 -14.948 6.293 745 HA HIS 93 HA HIS 93 4.468 -16.474 8.436 746 1HB HIS 93 2HB HIS 93 6.583 -15.376 7.855 747 2HB HIS 93 1HB HIS 93 5.810 -16.082 6.448 748 HD1 HIS 93 1HD HIS 93 6.651 -14.668 4.609 749 HD2 HIS 93 2HD HIS 93 5.284 -12.381 7.805 750 HE1 HIS 93 1HE HIS 93 6.753 -12.278 3.830 751 HE2 HIS 93 2HE HIS 93 6.192 -10.911 5.866 752 H ILE 94 H ILE 94 2.378 -14.566 9.078 753 HA ILE 94 HA ILE 94 3.655 -13.271 11.308 754 HB ILE 94 HB ILE 94 3.906 -11.592 9.483 755 1HG1 ILE 94 2HG1 ILE 94 1.899 -10.745 11.588 756 2HG1 ILE 94 1HG1 ILE 94 3.631 -10.902 11.863 757 1HG2 ILE 94 1HG2 ILE 94 1.977 -12.164 8.144 758 2HG2 ILE 94 2HG2 ILE 94 1.895 -10.467 8.617 759 3HG2 ILE 94 3HG2 ILE 94 0.892 -11.662 9.441 760 1HD1 ILE 94 1HD1 ILE 94 2.285 -8.990 9.972 761 2HD1 ILE 94 2HD1 ILE 94 4.027 -9.169 10.170 762 3HD1 ILE 94 3HD1 ILE 94 3.043 -8.594 11.515 763 H HIS 95 H HIS 95 2.035 -12.579 12.889 764 HA HIS 95 HA HIS 95 -0.395 -14.172 12.528 765 1HB HIS 95 2HB HIS 95 0.918 -13.190 15.064 766 2HB HIS 95 1HB HIS 95 -0.579 -14.117 14.998 767 HD1 HIS 95 1HD HIS 95 0.182 -16.272 12.958 768 HD2 HIS 95 2HD HIS 95 2.668 -15.028 16.056 769 HE1 HIS 95 1HE HIS 95 1.786 -18.168 13.343 770 HE2 HIS 95 2HE HIS 95 3.174 -17.459 15.327 771 H LYS 96 H LYS 96 -2.257 -13.342 13.989 772 HA LYS 96 HA LYS 96 -3.519 -11.400 12.541 773 1HB LYS 96 2HB LYS 96 -4.095 -11.909 15.456 774 2HB LYS 96 1HB LYS 96 -5.224 -11.380 14.219 775 1HG LYS 96 2HG LYS 96 -5.141 -13.523 13.149 776 2HG LYS 96 1HG LYS 96 -3.869 -14.065 14.248 777 1HD LYS 96 2HD LYS 96 -5.465 -13.677 16.141 778 2HD LYS 96 1HD LYS 96 -6.723 -13.388 14.940 779 1HE LYS 96 2HE LYS 96 -6.808 -15.682 15.752 780 2HE LYS 96 1HE LYS 96 -6.388 -15.635 14.041 781 1HZ LYS 96 1HZ LYS 96 -5.046 -17.202 15.427 782 2HZ LYS 96 2HZ LYS 96 -4.364 -15.859 16.199 783 3HZ LYS 96 3HZ LYS 96 -4.135 -16.090 14.535 784 H LYS 97 H LYS 97 -2.020 -10.932 15.734 785 HA LYS 97 HA LYS 97 -3.009 -8.335 16.120 786 1HB LYS 97 2HB LYS 97 -2.125 -9.943 17.849 787 2HB LYS 97 1HB LYS 97 -0.506 -9.497 17.334 788 1HG LYS 97 2HG LYS 97 -0.800 -7.260 18.076 789 2HG LYS 97 1HG LYS 97 -2.524 -7.521 18.363 790 1HD LYS 97 2HD LYS 97 -1.947 -9.214 20.063 791 2HD LYS 97 1HD LYS 97 -0.239 -8.849 19.816 792 1HE LYS 97 2HE LYS 97 -0.525 -6.628 20.638 793 2HE LYS 97 1HE LYS 97 -2.280 -6.802 20.661 794 1HZ LYS 97 1HZ LYS 97 -0.386 -8.359 22.337 795 2HZ LYS 97 2HZ LYS 97 -2.078 -8.467 22.376 796 3HZ LYS 97 3HZ LYS 97 -1.309 -7.041 22.871 797 H ARG 98 H ARG 98 0.104 -9.464 14.851 798 HA ARG 98 HA ARG 98 1.105 -6.777 14.598 799 1HB ARG 98 2HB ARG 98 2.229 -9.351 13.484 800 2HB ARG 98 1HB ARG 98 3.067 -7.808 13.567 801 1HG ARG 98 2HG ARG 98 2.803 -7.903 16.058 802 2HG ARG 98 1HG ARG 98 2.216 -9.555 15.859 803 1HD ARG 98 2HD ARG 98 4.581 -9.580 16.398 804 2HD ARG 98 1HD ARG 98 4.334 -10.148 14.747 805 HE ARG 98 HE ARG 98 5.042 -7.911 13.997 806 1HH1 ARG 98 1HH1 ARG 98 5.937 -8.982 17.214 807 2HH1 ARG 98 2HH1 ARG 98 7.266 -7.868 17.352 808 1HH2 ARG 98 1HH2 ARG 98 6.791 -6.476 14.159 809 2HH2 ARG 98 2HH2 ARG 98 7.760 -6.440 15.603 810 H PHE 99 H PHE 99 -0.456 -9.139 12.552 811 HA PHE 99 HA PHE 99 0.057 -7.983 10.041 812 1HB PHE 99 2HB PHE 99 -0.896 -10.249 10.383 813 2HB PHE 99 1HB PHE 99 -2.393 -9.519 10.949 814 HD1 PHE 99 1HD PHE 99 -0.387 -10.414 8.072 815 HD2 PHE 99 2HD PHE 99 -3.858 -8.312 9.360 816 HE1 PHE 99 1HE PHE 99 -1.227 -10.386 5.761 817 HE2 PHE 99 2HE PHE 99 -4.694 -8.277 7.050 818 HZ PHE 99 HZ PHE 99 -3.380 -9.318 5.246 819 H LYS 100 H LYS 100 -2.604 -7.529 12.328 820 HA LYS 100 HA LYS 100 -4.101 -5.724 10.756 821 1HB LYS 100 2HB LYS 100 -4.561 -7.110 13.033 822 2HB LYS 100 1HB LYS 100 -4.255 -5.520 13.714 823 1HG LYS 100 2HG LYS 100 -6.273 -6.001 11.539 824 2HG LYS 100 1HG LYS 100 -6.662 -6.104 13.255 825 1HD LYS 100 2HD LYS 100 -5.936 -3.778 13.544 826 2HD LYS 100 1HD LYS 100 -5.579 -3.683 11.817 827 1HE LYS 100 2HE LYS 100 -7.895 -4.045 11.270 828 2HE LYS 100 1HE LYS 100 -8.292 -4.328 12.962 829 1HZ LYS 100 1HZ LYS 100 -7.707 -2.036 13.451 830 2HZ LYS 100 2HZ LYS 100 -8.916 -2.101 12.261 831 3HZ LYS 100 3HZ LYS 100 -7.316 -1.758 11.824 832 H ASP 101 H ASP 101 -1.608 -5.261 13.212 833 HA ASP 101 HA ASP 101 -1.898 -2.437 13.415 834 1HB ASP 101 2HB ASP 101 -0.786 -4.045 15.077 835 2HB ASP 101 1HB ASP 101 0.625 -3.975 14.028 836 H ILE 102 H ILE 102 0.263 -4.524 11.510 837 HA ILE 102 HA ILE 102 1.719 -2.449 10.297 838 HB ILE 102 HB ILE 102 1.009 -5.188 9.247 839 1HG1 ILE 102 2HG1 ILE 102 3.528 -4.012 10.446 840 2HG1 ILE 102 1HG1 ILE 102 2.470 -5.209 11.183 841 1HG2 ILE 102 1HG2 ILE 102 1.391 -3.712 7.349 842 2HG2 ILE 102 2HG2 ILE 102 2.721 -4.855 7.530 843 3HG2 ILE 102 3HG2 ILE 102 2.923 -3.181 8.050 844 1HD1 ILE 102 1HD1 ILE 102 3.085 -6.833 9.497 845 2HD1 ILE 102 2HD1 ILE 102 4.520 -6.195 10.302 846 3HD1 ILE 102 3HD1 ILE 102 4.094 -5.633 8.687 847 H THR 103 H THR 103 -1.302 -4.032 9.330 848 HA THR 103 HA THR 103 -1.806 -2.592 6.993 849 HB THR 103 HB THR 103 -3.878 -3.546 8.986 850 HG1 THR 103 1HG THR 103 -2.522 -5.282 8.430 851 1HG2 THR 103 1HG2 THR 103 -4.767 -2.091 7.224 852 2HG2 THR 103 2HG2 THR 103 -5.324 -3.753 7.022 853 3HG2 THR 103 3HG2 THR 103 -4.033 -3.124 5.996 854 H GLU 104 H GLU 104 -2.735 -1.879 10.352 855 HA GLU 104 HA GLU 104 -4.047 0.547 9.968 856 1HB GLU 104 2HB GLU 104 -2.365 -0.494 12.246 857 2HB GLU 104 1HB GLU 104 -3.202 1.042 12.333 858 1HG GLU 104 2HG GLU 104 -4.474 -1.650 11.929 859 2HG GLU 104 1HG GLU 104 -4.470 -0.709 13.421 860 H SER 105 H SER 105 -0.599 -0.037 10.575 861 HA SER 105 HA SER 105 0.235 2.631 10.601 862 1HB SER 105 2HB SER 105 1.826 0.232 9.661 863 2HB SER 105 1HB SER 105 2.478 1.756 10.267 864 HG SER 105 HG SER 105 1.119 -0.291 11.669 865 H VAL 106 H VAL 106 -0.083 0.359 7.897 866 HA VAL 106 HA VAL 106 0.962 2.113 5.928 867 HB VAL 106 HB VAL 106 -0.955 -0.209 5.583 868 1HG1 VAL 106 1HG1 VAL 106 0.766 1.228 3.563 869 2HG1 VAL 106 2HG1 VAL 106 -0.995 1.256 3.648 870 3HG1 VAL 106 3HG1 VAL 106 -0.155 -0.244 3.257 871 1HG2 VAL 106 1HG2 VAL 106 2.052 -0.089 5.348 872 2HG2 VAL 106 2HG2 VAL 106 1.045 -1.494 4.991 873 3HG2 VAL 106 3HG2 VAL 106 1.141 -0.872 6.639 874 H LEU 107 H LEU 107 -2.378 1.302 6.887 875 HA LEU 107 HA LEU 107 -3.687 2.967 5.067 876 1HB LEU 107 2HB LEU 107 -4.497 1.965 7.784 877 2HB LEU 107 1HB LEU 107 -5.568 2.919 6.781 878 HG LEU 107 HG LEU 107 -4.407 0.228 6.036 879 1HD1 LEU 107 1HD1 LEU 107 -6.078 0.033 7.782 880 2HD1 LEU 107 2HD1 LEU 107 -6.718 -0.560 6.250 881 3HD1 LEU 107 3HD1 LEU 107 -7.197 1.027 6.850 882 1HD2 LEU 107 1HD2 LEU 107 -5.901 0.348 4.114 883 2HD2 LEU 107 2HD2 LEU 107 -4.750 1.685 4.098 884 3HD2 LEU 107 3HD2 LEU 107 -6.417 1.963 4.600 885 H TYR 108 H TYR 108 -2.613 3.640 8.390 886 HA TYR 108 HA TYR 108 -3.534 6.240 8.662 887 1HB TYR 108 2HB TYR 108 -2.522 5.138 10.533 888 2HB TYR 108 1HB TYR 108 -1.000 4.943 9.674 889 HD1 TYR 108 1HD TYR 108 0.687 6.558 9.862 890 HD2 TYR 108 2HD TYR 108 -3.259 7.520 11.134 891 HE1 TYR 108 1HE TYR 108 1.519 8.653 10.837 892 HE2 TYR 108 2HE TYR 108 -2.435 9.624 12.113 893 HH TYR 108 HH TYR 108 0.637 10.880 11.435 894 H THR 109 H THR 109 -0.416 5.178 7.341 895 HA THR 109 HA THR 109 0.532 7.734 6.676 896 HB THR 109 HB THR 109 1.255 5.105 5.370 897 HG1 THR 109 1HG THR 109 1.710 4.795 7.485 898 1HG2 THR 109 1HG2 THR 109 2.776 7.705 5.628 899 2HG2 THR 109 2HG2 THR 109 2.097 7.038 4.143 900 3HG2 THR 109 3HG2 THR 109 3.423 6.207 4.958 901 H LEU 110 H LEU 110 -1.266 5.329 4.793 902 HA LEU 110 HA LEU 110 -1.092 6.620 2.308 903 1HB LEU 110 2HB LEU 110 -3.175 4.736 3.403 904 2HB LEU 110 1HB LEU 110 -3.129 5.264 1.731 905 HG LEU 110 HG LEU 110 -0.950 3.706 3.125 906 1HD1 LEU 110 1HD1 LEU 110 -1.656 1.849 1.726 907 2HD1 LEU 110 2HD1 LEU 110 -2.952 2.832 1.045 908 3HD1 LEU 110 3HD1 LEU 110 -2.986 2.388 2.751 909 1HD2 LEU 110 1HD2 LEU 110 0.008 3.500 0.884 910 2HD2 LEU 110 2HD2 LEU 110 -0.085 5.186 1.394 911 3HD2 LEU 110 3HD2 LEU 110 -1.261 4.545 0.246 912 H HIS 111 H HIS 111 -3.409 6.978 4.939 913 HA HIS 111 HA HIS 111 -5.228 8.650 3.548 914 1HB HIS 111 2HB HIS 111 -4.583 8.536 6.509 915 2HB HIS 111 1HB HIS 111 -5.939 9.408 5.819 916 HD1 HIS 111 1HD HIS 111 -6.784 7.511 7.818 917 HD2 HIS 111 2HD HIS 111 -6.103 6.288 3.905 918 HE1 HIS 111 1HE HIS 111 -8.030 5.344 7.559 919 HE2 HIS 111 2HE HIS 111 -7.791 4.744 5.124 920 H ALA 112 H ALA 112 -2.335 9.265 5.453 921 HA ALA 112 HA ALA 112 -2.559 12.081 5.538 922 1HB ALA 112 1HB ALA 112 -1.144 10.832 7.089 923 2HB ALA 112 2HB ALA 112 -0.215 12.056 6.224 924 3HB ALA 112 3HB ALA 112 -0.091 10.360 5.755 925 H VAL 113 H VAL 113 -1.001 9.846 3.301 926 HA VAL 113 HA VAL 113 0.277 11.860 1.746 927 HB VAL 113 HB VAL 113 -0.476 9.030 0.972 928 1HG1 VAL 113 1HG1 VAL 113 1.181 9.254 -0.803 929 2HG1 VAL 113 2HG1 VAL 113 1.483 10.925 -0.328 930 3HG1 VAL 113 3HG1 VAL 113 -0.089 10.467 -0.980 931 1HG2 VAL 113 1HG2 VAL 113 1.866 8.506 1.471 932 2HG2 VAL 113 2HG2 VAL 113 1.014 9.103 2.893 933 3HG2 VAL 113 3HG2 VAL 113 2.115 10.165 2.020 934 H LYS 114 H LYS 114 -2.740 10.038 1.439 935 HA LYS 114 HA LYS 114 -3.548 10.975 -1.050 936 1HB LYS 114 2HB LYS 114 -4.657 9.099 0.043 937 2HB LYS 114 1HB LYS 114 -5.243 10.157 1.316 938 1HG LYS 114 2HG LYS 114 -6.816 11.157 -0.037 939 2HG LYS 114 1HG LYS 114 -5.950 10.756 -1.518 940 1HD LYS 114 2HD LYS 114 -8.002 9.450 -1.289 941 2HD LYS 114 1HD LYS 114 -6.575 8.417 -1.268 942 1HE LYS 114 2HE LYS 114 -6.721 8.163 1.107 943 2HE LYS 114 1HE LYS 114 -8.008 9.366 1.204 944 1HZ LYS 114 1HZ LYS 114 -8.274 6.843 -0.342 945 2HZ LYS 114 2HZ LYS 114 -9.499 7.934 0.103 946 3HZ LYS 114 3HZ LYS 114 -8.744 6.988 1.287 947 H ASP 115 H ASP 115 -4.285 12.296 2.171 948 HA ASP 115 HA ASP 115 -5.951 14.363 1.202 949 1HB ASP 115 2HB ASP 115 -5.942 13.531 3.564 950 2HB ASP 115 1HB ASP 115 -4.415 14.378 3.805 951 H GLU 116 H GLU 116 -2.495 14.216 1.905 952 HA GLU 116 HA GLU 116 -1.924 16.942 1.510 953 1HB GLU 116 2HB GLU 116 -0.235 14.463 1.216 954 2HB GLU 116 1HB GLU 116 0.412 16.074 0.951 955 1HG GLU 116 2HG GLU 116 -0.923 15.250 3.510 956 2HG GLU 116 1HG GLU 116 0.806 15.074 3.224 957 H ILE 117 H ILE 117 -1.992 14.204 -0.770 958 HA ILE 117 HA ILE 117 -1.018 15.498 -3.030 959 HB ILE 117 HB ILE 117 -3.173 13.381 -2.917 960 1HG1 ILE 117 2HG1 ILE 117 -0.197 13.097 -3.392 961 2HG1 ILE 117 1HG1 ILE 117 -1.002 12.760 -1.862 962 1HG2 ILE 117 1HG2 ILE 117 -1.461 14.293 -5.227 963 2HG2 ILE 117 2HG2 ILE 117 -3.205 14.501 -5.063 964 3HG2 ILE 117 3HG2 ILE 117 -2.520 12.885 -5.241 965 1HD1 ILE 117 1HD1 ILE 117 -2.292 10.994 -2.928 966 2HD1 ILE 117 2HD1 ILE 117 -0.559 10.724 -3.109 967 3HD1 ILE 117 3HD1 ILE 117 -1.503 11.338 -4.467 968 H ALA 118 H ALA 118 -4.406 15.185 -1.984 969 HA ALA 118 HA ALA 118 -5.437 16.838 -4.056 970 1HB ALA 118 1HB ALA 118 -6.806 15.170 -2.885 971 2HB ALA 118 2HB ALA 118 -7.521 16.781 -2.812 972 3HB ALA 118 3HB ALA 118 -6.686 16.124 -1.405 973 H ARG 119 H ARG 119 -4.115 17.449 -0.919 974 HA ARG 119 HA ARG 119 -5.143 20.058 -0.500 975 1HB ARG 119 2HB ARG 119 -4.204 18.621 1.275 976 2HB ARG 119 1HB ARG 119 -2.614 18.777 0.547 977 1HG ARG 119 2HG ARG 119 -2.705 21.211 0.967 978 2HG ARG 119 1HG ARG 119 -4.249 20.974 1.796 979 1HD ARG 119 2HD ARG 119 -3.093 19.351 3.303 980 2HD ARG 119 1HD ARG 119 -1.571 19.824 2.553 981 HE ARG 119 HE ARG 119 -2.839 22.144 3.450 982 1HH1 ARG 119 1HH1 ARG 119 -1.403 19.211 4.728 983 2HH1 ARG 119 2HH1 ARG 119 -0.949 19.951 6.240 984 1HH2 ARG 119 1HH2 ARG 119 -2.236 23.114 5.445 985 2HH2 ARG 119 2HH2 ARG 119 -1.439 22.150 6.653 986 H GLU 120 H GLU 120 -1.985 18.900 -1.661 987 HA GLU 120 HA GLU 120 -0.949 21.463 -2.245 988 1HB GLU 120 2HB GLU 120 -0.137 18.919 -3.615 989 2HB GLU 120 1HB GLU 120 0.848 20.338 -3.324 990 1HG GLU 120 2HG GLU 120 -0.184 18.449 -1.219 991 2HG GLU 120 1HG GLU 120 1.456 18.484 -1.858 992 H ASP 121 H ASP 121 -2.640 19.046 -4.157 993 HA ASP 121 HA ASP 121 -4.096 19.255 -5.878 994 1HB ASP 121 2HB ASP 121 -4.878 21.323 -4.808 995 2HB ASP 121 1HB ASP 121 -3.631 22.233 -5.653 996 H SER 122 H SER 122 -3.892 18.907 -7.997 997 HA SER 122 HA SER 122 -2.151 20.422 -9.674 998 1HB SER 122 2HB SER 122 -0.587 18.801 -8.463 999 2HB SER 122 1HB SER 122 -1.405 17.512 -9.341 1000 HG SER 122 HG SER 122 0.097 19.678 -10.407 1001 H ARG 123 H ARG 123 -3.856 20.705 -11.054 1002 HA ARG 123 HA ARG 123 -4.847 18.279 -12.399 1003 1HB ARG 123 2HB ARG 123 -6.312 20.829 -11.708 1004 2HB ARG 123 1HB ARG 123 -6.913 19.702 -12.916 1005 1HG ARG 123 2HG ARG 123 -6.238 18.651 -10.220 1006 2HG ARG 123 1HG ARG 123 -7.708 19.606 -10.413 1007 1HD ARG 123 2HD ARG 123 -7.947 17.092 -10.652 1008 2HD ARG 123 1HD ARG 123 -8.635 18.079 -11.938 1009 HE ARG 123 HE ARG 123 -7.043 17.261 -13.408 1010 1HH1 ARG 123 1HH1 ARG 123 -6.408 16.096 -10.159 1011 2HH1 ARG 123 2HH1 ARG 123 -5.223 14.936 -10.680 1012 1HH2 ARG 123 1HH2 ARG 123 -5.551 15.703 -14.090 1013 2HH2 ARG 123 2HH2 ARG 123 -4.747 14.695 -12.929 Start of MODEL 3 1 1H MET 1 1HT MET 1 -3.546 15.879 -22.063 2 2H MET 1 2HT MET 1 -2.873 14.453 -21.431 3 3H MET 1 3HT MET 1 -3.041 15.821 -20.448 4 HA MET 1 HA MET 1 -5.398 15.684 -20.497 5 1HB MET 1 2HB MET 1 -6.556 13.912 -21.696 6 2HB MET 1 1HB MET 1 -5.585 14.858 -22.815 7 1HG MET 1 2HG MET 1 -3.879 13.119 -22.827 8 2HG MET 1 1HG MET 1 -4.816 12.179 -21.669 9 1HE MET 1 1HE MET 1 -8.005 11.277 -23.780 10 2HE MET 1 2HE MET 1 -7.793 12.677 -22.727 11 3HE MET 1 3HE MET 1 -7.198 11.094 -22.224 12 H LEU 2 H LEU 2 -2.833 14.315 -19.309 13 HA LEU 2 HA LEU 2 -3.828 11.872 -18.197 14 1HB LEU 2 2HB LEU 2 -1.439 12.216 -18.604 15 2HB LEU 2 1HB LEU 2 -1.421 13.532 -17.446 16 HG LEU 2 HG LEU 2 -2.004 11.927 -15.650 17 1HD1 LEU 2 1HD1 LEU 2 -1.649 9.861 -17.821 18 2HD1 LEU 2 2HD1 LEU 2 -3.154 10.255 -16.989 19 3HD1 LEU 2 3HD1 LEU 2 -1.820 9.525 -16.096 20 1HD2 LEU 2 1HD2 LEU 2 0.181 10.824 -15.559 21 2HD2 LEU 2 2HD2 LEU 2 0.320 12.513 -16.050 22 3HD2 LEU 2 3HD2 LEU 2 0.453 11.231 -17.254 23 H SER 3 H SER 3 -5.277 11.761 -16.648 24 HA SER 3 HA SER 3 -5.420 13.920 -14.666 25 1HB SER 3 2HB SER 3 -7.716 12.780 -14.213 26 2HB SER 3 1HB SER 3 -7.529 13.767 -15.663 27 HG SER 3 HG SER 3 -8.033 12.060 -16.762 28 H GLN 4 H GLN 4 -5.557 13.414 -12.457 29 HA GLN 4 HA GLN 4 -4.893 12.384 -10.553 30 1HB GLN 4 2HB GLN 4 -6.193 10.138 -12.047 31 2HB GLN 4 1HB GLN 4 -5.398 9.821 -10.514 32 1HG GLN 4 2HG GLN 4 -7.788 10.156 -10.225 33 2HG GLN 4 1HG GLN 4 -6.861 11.406 -9.401 34 1HE2 GLN 4 1HE2 GLN 4 -7.028 13.519 -10.078 35 2HE2 GLN 4 2HE2 GLN 4 -8.224 14.049 -11.213 36 H THR 5 H THR 5 -2.708 12.890 -10.981 37 HA THR 5 HA THR 5 -0.987 11.186 -12.461 38 HB THR 5 HB THR 5 0.805 12.599 -11.219 39 HG1 THR 5 1HG THR 5 -0.195 14.609 -10.429 40 1HG2 THR 5 1HG2 THR 5 0.371 14.511 -12.713 41 2HG2 THR 5 2HG2 THR 5 -1.257 13.901 -13.011 42 3HG2 THR 5 3HG2 THR 5 0.144 12.971 -13.544 43 H LEU 6 H LEU 6 -1.510 11.665 -8.980 44 HA LEU 6 HA LEU 6 -0.179 9.078 -8.516 45 1HB LEU 6 2HB LEU 6 1.303 10.989 -7.887 46 2HB LEU 6 1HB LEU 6 0.083 11.516 -6.746 47 HG LEU 6 HG LEU 6 0.351 9.337 -5.545 48 1HD1 LEU 6 1HD1 LEU 6 1.248 8.015 -7.368 49 2HD1 LEU 6 2HD1 LEU 6 2.364 8.018 -6.003 50 3HD1 LEU 6 3HD1 LEU 6 2.692 9.024 -7.414 51 1HD2 LEU 6 1HD2 LEU 6 2.476 9.943 -4.487 52 2HD2 LEU 6 2HD2 LEU 6 1.452 11.355 -4.753 53 3HD2 LEU 6 3HD2 LEU 6 2.821 11.044 -5.821 54 H LEU 7 H LEU 7 -2.826 11.129 -8.048 55 HA LEU 7 HA LEU 7 -3.794 10.415 -5.540 56 1HB LEU 7 2HB LEU 7 -4.686 12.252 -6.906 57 2HB LEU 7 1HB LEU 7 -5.377 11.089 -8.020 58 HG LEU 7 HG LEU 7 -6.841 10.252 -6.204 59 1HD1 LEU 7 1HD1 LEU 7 -5.679 12.548 -4.635 60 2HD1 LEU 7 2HD1 LEU 7 -5.442 10.831 -4.304 61 3HD1 LEU 7 3HD1 LEU 7 -7.045 11.550 -4.142 62 1HD2 LEU 7 1HD2 LEU 7 -8.324 12.207 -6.141 63 2HD2 LEU 7 2HD2 LEU 7 -7.666 11.927 -7.754 64 3HD2 LEU 7 3HD2 LEU 7 -7.008 13.214 -6.743 65 H GLU 8 H GLU 8 -4.619 8.952 -8.697 66 HA GLU 8 HA GLU 8 -6.364 7.019 -7.622 67 1HB GLU 8 2HB GLU 8 -6.353 7.738 -10.002 68 2HB GLU 8 1HB GLU 8 -4.820 6.903 -10.221 69 1HG GLU 8 2HG GLU 8 -5.964 4.803 -9.522 70 2HG GLU 8 1HG GLU 8 -7.484 5.690 -9.558 71 H MET 9 H MET 9 -2.907 6.995 -8.329 72 HA MET 9 HA MET 9 -2.402 4.270 -7.956 73 1HB MET 9 2HB MET 9 -0.664 6.684 -7.426 74 2HB MET 9 1HB MET 9 -0.078 5.027 -7.341 75 1HG MET 9 2HG MET 9 -0.485 4.682 -9.660 76 2HG MET 9 1HG MET 9 -1.338 6.219 -9.797 77 1HE MET 9 1HE MET 9 3.187 5.973 -8.895 78 2HE MET 9 2HE MET 9 2.176 4.539 -9.072 79 3HE MET 9 3HE MET 9 1.926 5.631 -7.708 80 H THR 10 H THR 10 -2.479 6.942 -5.652 81 HA THR 10 HA THR 10 -1.798 5.416 -3.369 82 HB THR 10 HB THR 10 -3.418 7.972 -3.448 83 HG1 THR 10 1HG THR 10 -1.539 8.421 -4.529 84 1HG2 THR 10 1HG2 THR 10 -2.421 8.355 -1.231 85 2HG2 THR 10 2HG2 THR 10 -1.623 6.785 -1.325 86 3HG2 THR 10 3HG2 THR 10 -3.383 6.878 -1.260 87 H GLU 11 H GLU 11 -4.905 6.517 -4.692 88 HA GLU 11 HA GLU 11 -6.620 5.433 -2.795 89 1HB GLU 11 2HB GLU 11 -6.979 5.872 -5.759 90 2HB GLU 11 1HB GLU 11 -8.291 5.385 -4.698 91 1HG GLU 11 2HG GLU 11 -6.666 7.894 -4.364 92 2HG GLU 11 1HG GLU 11 -8.228 7.811 -5.178 93 H GLN 12 H GLN 12 -5.349 3.964 -5.762 94 HA GLN 12 HA GLN 12 -6.713 1.512 -5.520 95 1HB GLN 12 2HB GLN 12 -5.679 2.257 -7.618 96 2HB GLN 12 1HB GLN 12 -4.084 2.105 -6.895 97 1HG GLN 12 2HG GLN 12 -4.370 -0.287 -6.687 98 2HG GLN 12 1HG GLN 12 -6.012 -0.169 -7.318 99 1HE2 GLN 12 1HE2 GLN 12 -5.555 -1.537 -9.042 100 2HE2 GLN 12 2HE2 GLN 12 -4.587 -1.037 -10.382 101 H MET 13 H MET 13 -3.521 2.556 -4.380 102 HA MET 13 HA MET 13 -2.687 0.065 -3.366 103 1HB MET 13 2HB MET 13 -1.149 1.960 -3.668 104 2HB MET 13 1HB MET 13 -1.973 2.839 -2.387 105 1HG MET 13 2HG MET 13 -1.265 1.219 -0.754 106 2HG MET 13 1HG MET 13 -0.550 0.213 -2.012 107 1HE MET 13 1HE MET 13 0.812 2.368 -3.901 108 2HE MET 13 2HE MET 13 1.611 0.880 -3.393 109 3HE MET 13 3HE MET 13 2.440 2.428 -3.223 110 H ILE 14 H ILE 14 -4.551 2.699 -1.921 111 HA ILE 14 HA ILE 14 -4.829 1.649 0.661 112 HB ILE 14 HB ILE 14 -6.786 3.313 -0.938 113 1HG1 ILE 14 2HG1 ILE 14 -4.746 4.105 1.153 114 2HG1 ILE 14 1HG1 ILE 14 -4.590 4.369 -0.580 115 1HG2 ILE 14 1HG2 ILE 14 -7.779 3.918 1.231 116 2HG2 ILE 14 2HG2 ILE 14 -6.728 2.743 2.025 117 3HG2 ILE 14 3HG2 ILE 14 -7.950 2.200 0.874 118 1HD1 ILE 14 1HD1 ILE 14 -6.503 5.864 -0.540 119 2HD1 ILE 14 2HD1 ILE 14 -5.257 6.394 0.590 120 3HD1 ILE 14 3HD1 ILE 14 -6.701 5.578 1.188 121 H GLU 15 H GLU 15 -6.907 1.272 -2.197 122 HA GLU 15 HA GLU 15 -8.848 -0.383 -1.051 123 1HB GLU 15 2HB GLU 15 -9.029 0.771 -3.252 124 2HB GLU 15 1HB GLU 15 -7.892 -0.391 -3.923 125 1HG GLU 15 2HG GLU 15 -9.528 -2.186 -3.206 126 2HG GLU 15 1HG GLU 15 -10.679 -0.879 -2.929 127 H VAL 16 H VAL 16 -5.878 -1.257 -2.827 128 HA VAL 16 HA VAL 16 -6.227 -4.037 -2.770 129 HB VAL 16 HB VAL 16 -3.644 -2.456 -2.777 130 1HG1 VAL 16 1HG1 VAL 16 -2.603 -4.501 -3.655 131 2HG1 VAL 16 2HG1 VAL 16 -4.116 -5.370 -3.394 132 3HG1 VAL 16 3HG1 VAL 16 -3.219 -4.725 -2.019 133 1HG2 VAL 16 1HG2 VAL 16 -5.193 -3.738 -5.022 134 2HG2 VAL 16 2HG2 VAL 16 -3.656 -2.886 -5.177 135 3HG2 VAL 16 3HG2 VAL 16 -5.105 -2.009 -4.685 136 H ALA 17 H ALA 17 -4.658 -1.870 -0.441 137 HA ALA 17 HA ALA 17 -3.755 -3.883 1.318 138 1HB ALA 17 1HB ALA 17 -4.494 -1.025 1.941 139 2HB ALA 17 2HB ALA 17 -2.918 -1.580 1.374 140 3HB ALA 17 3HB ALA 17 -3.518 -2.092 2.952 141 H GLU 18 H GLU 18 -6.713 -1.913 1.304 142 HA GLU 18 HA GLU 18 -7.849 -2.996 3.622 143 1HB GLU 18 2HB GLU 18 -9.048 -1.657 1.202 144 2HB GLU 18 1HB GLU 18 -9.978 -2.079 2.621 145 1HG GLU 18 2HG GLU 18 -8.340 -0.707 3.956 146 2HG GLU 18 1HG GLU 18 -7.725 -0.123 2.410 147 H LYS 19 H LYS 19 -8.170 -3.919 0.209 148 HA LYS 19 HA LYS 19 -10.054 -5.995 0.679 149 1HB LYS 19 2HB LYS 19 -8.225 -5.356 -1.620 150 2HB LYS 19 1HB LYS 19 -9.209 -6.811 -1.616 151 1HG LYS 19 2HG LYS 19 -11.229 -5.450 -1.402 152 2HG LYS 19 1HG LYS 19 -10.240 -3.989 -1.406 153 1HD LYS 19 2HD LYS 19 -9.502 -4.427 -3.651 154 2HD LYS 19 1HD LYS 19 -10.294 -6.004 -3.649 155 1HE LYS 19 2HE LYS 19 -12.464 -4.967 -3.525 156 2HE LYS 19 1HE LYS 19 -11.736 -3.370 -3.360 157 1HZ LYS 19 1HZ LYS 19 -11.410 -5.122 -5.737 158 2HZ LYS 19 2HZ LYS 19 -10.866 -3.521 -5.572 159 3HZ LYS 19 3HZ LYS 19 -12.528 -3.851 -5.629 160 H GLY 20 H GLY 20 -6.543 -5.861 0.643 161 1HA GLY 20 2HA GLY 20 -6.092 -8.654 0.827 162 2HA GLY 20 1HA GLY 20 -4.975 -7.393 1.331 163 H ALA 21 H ALA 21 -6.534 -6.124 3.260 164 HA ALA 21 HA ALA 21 -6.196 -7.774 5.525 165 1HB ALA 21 1HB ALA 21 -6.117 -5.328 5.643 166 2HB ALA 21 2HB ALA 21 -7.305 -5.986 6.768 167 3HB ALA 21 3HB ALA 21 -7.836 -5.252 5.256 168 H ASP 22 H ASP 22 -9.037 -6.851 3.648 169 HA ASP 22 HA ASP 22 -10.979 -8.200 5.168 170 1HB ASP 22 2HB ASP 22 -11.538 -6.541 3.449 171 2HB ASP 22 1HB ASP 22 -10.927 -7.618 2.198 172 H ARG 23 H ARG 23 -8.875 -9.261 2.560 173 HA ARG 23 HA ARG 23 -10.040 -11.834 2.250 174 1HB ARG 23 2HB ARG 23 -8.713 -10.727 0.505 175 2HB ARG 23 1HB ARG 23 -7.281 -10.843 1.514 176 1HG ARG 23 2HG ARG 23 -7.182 -13.181 1.287 177 2HG ARG 23 1HG ARG 23 -8.818 -13.264 0.625 178 1HD ARG 23 2HD ARG 23 -6.560 -11.812 -0.742 179 2HD ARG 23 1HD ARG 23 -6.931 -13.509 -1.042 180 HE ARG 23 HE ARG 23 -9.294 -12.087 -1.391 181 1HH1 ARG 23 1HH1 ARG 23 -6.111 -12.120 -2.859 182 2HH1 ARG 23 2HH1 ARG 23 -6.708 -11.782 -4.455 183 1HH2 ARG 23 1HH2 ARG 23 -10.084 -11.628 -3.494 184 2HH2 ARG 23 2HH2 ARG 23 -8.959 -11.538 -4.823 185 H TYR 24 H TYR 24 -7.418 -10.561 4.230 186 HA TYR 24 HA TYR 24 -6.610 -13.085 5.292 187 1HB TYR 24 2HB TYR 24 -5.197 -11.029 5.369 188 2HB TYR 24 1HB TYR 24 -6.327 -10.324 6.515 189 HD1 TYR 24 1HD TYR 24 -3.751 -12.910 6.037 190 HD2 TYR 24 2HD TYR 24 -6.309 -10.975 8.831 191 HE1 TYR 24 1HE TYR 24 -2.480 -13.911 7.886 192 HE2 TYR 24 2HE TYR 24 -5.045 -11.971 10.690 193 HH TYR 24 HH TYR 24 -2.032 -13.446 10.269 194 H GLN 25 H GLN 25 -8.964 -10.649 6.154 195 HA GLN 25 HA GLN 25 -9.780 -11.661 8.651 196 1HB GLN 25 2HB GLN 25 -10.415 -9.450 8.041 197 2HB GLN 25 1HB GLN 25 -11.161 -9.999 6.549 198 1HG GLN 25 2HG GLN 25 -12.901 -11.134 7.864 199 2HG GLN 25 1HG GLN 25 -12.165 -10.507 9.340 200 1HE2 GLN 25 1HE2 GLN 25 -13.868 -9.671 6.410 201 2HE2 GLN 25 2HE2 GLN 25 -14.394 -8.107 6.924 202 H GLU 26 H GLU 26 -10.957 -12.261 5.366 203 HA GLU 26 HA GLU 26 -12.948 -14.141 6.089 204 1HB GLU 26 2HB GLU 26 -11.645 -13.223 3.605 205 2HB GLU 26 1HB GLU 26 -12.284 -14.860 3.553 206 1HG GLU 26 2HG GLU 26 -13.945 -12.555 4.499 207 2HG GLU 26 1HG GLU 26 -13.795 -12.954 2.788 208 H GLY 27 H GLY 27 -9.515 -14.396 5.419 209 1HA GLY 27 2HA GLY 27 -8.062 -16.137 5.925 210 2HA GLY 27 1HA GLY 27 -9.438 -17.092 6.468 211 H LYS 28 H LYS 28 -11.025 -17.485 4.533 212 HA LYS 28 HA LYS 28 -9.478 -18.670 2.349 213 1HB LYS 28 2HB LYS 28 -12.354 -19.010 3.239 214 2HB LYS 28 1HB LYS 28 -11.733 -19.685 1.742 215 1HG LYS 28 2HG LYS 28 -11.781 -21.391 3.423 216 2HG LYS 28 1HG LYS 28 -10.103 -21.002 3.047 217 1HD LYS 28 2HD LYS 28 -9.891 -19.713 5.058 218 2HD LYS 28 1HD LYS 28 -11.615 -19.863 5.394 219 1HE LYS 28 2HE LYS 28 -11.384 -22.231 5.758 220 2HE LYS 28 1HE LYS 28 -9.690 -22.180 5.270 221 1HZ LYS 28 1HZ LYS 28 -10.139 -22.201 7.732 222 2HZ LYS 28 2HZ LYS 28 -10.728 -20.622 7.565 223 3HZ LYS 28 3HZ LYS 28 -9.114 -20.974 7.178 224 H ASN 29 H ASN 29 -10.831 -18.529 0.163 225 HA ASN 29 HA ASN 29 -12.346 -16.164 -0.259 226 1HB ASN 29 2HB ASN 29 -9.845 -15.414 0.036 227 2HB ASN 29 1HB ASN 29 -9.663 -16.030 -1.604 228 1HD2 ASN 29 1HD2 ASN 29 -11.164 -13.630 0.412 229 2HD2 ASN 29 2HD2 ASN 29 -11.641 -12.558 -0.861 230 H SER 30 H SER 30 -11.889 -15.742 -2.945 231 HA SER 30 HA SER 30 -13.209 -17.946 -4.108 232 1HB SER 30 2HB SER 30 -11.746 -15.695 -5.509 233 2HB SER 30 1HB SER 30 -13.020 -16.709 -6.190 234 HG SER 30 HG SER 30 -13.850 -15.581 -3.875 235 H ASN 31 H ASN 31 -9.844 -17.076 -3.824 236 HA ASN 31 HA ASN 31 -8.937 -19.037 -5.730 237 1HB ASN 31 2HB ASN 31 -7.599 -17.020 -5.311 238 2HB ASN 31 1HB ASN 31 -7.392 -17.498 -3.629 239 1HD2 ASN 31 1HD2 ASN 31 -7.338 -19.759 -6.303 240 2HD2 ASN 31 2HD2 ASN 31 -5.657 -20.151 -6.180 241 H HIS 32 H HIS 32 -9.585 -21.024 -5.177 242 HA HIS 32 HA HIS 32 -9.086 -21.967 -2.441 243 1HB HIS 32 2HB HIS 32 -11.380 -22.215 -3.325 244 2HB HIS 32 1HB HIS 32 -10.758 -23.196 -4.646 245 HD1 HIS 32 1HD HIS 32 -11.012 -25.630 -4.261 246 HD2 HIS 32 2HD HIS 32 -10.658 -23.516 -0.692 247 HE1 HIS 32 1HE HIS 32 -11.239 -27.338 -2.432 248 HE2 HIS 32 2HE HIS 32 -11.240 -26.004 -0.298 249 H SER 33 H SER 33 -8.401 -22.664 -5.820 250 HA SER 33 HA SER 33 -6.568 -24.796 -4.982 251 1HB SER 33 2HB SER 33 -7.703 -24.182 -7.725 252 2HB SER 33 1HB SER 33 -6.619 -25.520 -7.346 253 HG SER 33 HG SER 33 -9.267 -25.458 -7.153 254 H TYR 34 H TYR 34 -4.497 -24.288 -4.846 255 HA TYR 34 HA TYR 34 -3.053 -22.851 -6.803 256 1HB TYR 34 2HB TYR 34 -2.533 -20.818 -5.621 257 2HB TYR 34 1HB TYR 34 -4.287 -20.952 -5.689 258 HD1 TYR 34 1HD TYR 34 -1.422 -20.605 -3.564 259 HD2 TYR 34 2HD TYR 34 -5.498 -21.823 -3.609 260 HE1 TYR 34 1HE TYR 34 -1.511 -20.381 -1.119 261 HE2 TYR 34 2HE TYR 34 -5.598 -21.597 -1.163 262 HH TYR 34 HH TYR 34 -3.982 -21.655 0.754 263 H ASP 35 H ASP 35 -0.769 -22.663 -6.205 264 HA ASP 35 HA ASP 35 0.046 -23.476 -3.571 265 1HB ASP 35 2HB ASP 35 -0.228 -25.664 -4.791 266 2HB ASP 35 1HB ASP 35 1.040 -25.138 -5.896 267 H PHE 36 H PHE 36 0.969 -21.514 -3.409 268 HA PHE 36 HA PHE 36 2.584 -19.947 -3.471 269 1HB PHE 36 2HB PHE 36 4.115 -21.803 -3.115 270 2HB PHE 36 1HB PHE 36 4.190 -22.104 -4.849 271 HD1 PHE 36 1HD PHE 36 5.940 -21.205 -6.047 272 HD2 PHE 36 2HD PHE 36 4.778 -19.357 -2.392 273 HE1 PHE 36 1HE PHE 36 7.821 -19.634 -6.248 274 HE2 PHE 36 2HE PHE 36 6.664 -17.787 -2.583 275 HZ PHE 36 HZ PHE 36 8.185 -17.923 -4.515 276 H PHE 37 H PHE 37 3.293 -21.506 -6.613 277 HA PHE 37 HA PHE 37 3.805 -18.889 -7.718 278 1HB PHE 37 2HB PHE 37 5.201 -20.992 -8.077 279 2HB PHE 37 1HB PHE 37 3.937 -21.525 -9.179 280 HD1 PHE 37 1HD PHE 37 4.355 -21.178 -11.403 281 HD2 PHE 37 2HD PHE 37 5.934 -18.427 -8.566 282 HE1 PHE 37 1HE PHE 37 5.418 -19.915 -13.224 283 HE2 PHE 37 2HE PHE 37 6.998 -17.160 -10.385 284 HZ PHE 37 HZ PHE 37 6.739 -17.903 -12.717 285 H GLU 38 H GLU 38 1.019 -19.611 -7.098 286 HA GLU 38 HA GLU 38 -0.098 -19.100 -9.775 287 1HB GLU 38 2HB GLU 38 -1.128 -20.701 -7.491 288 2HB GLU 38 1HB GLU 38 -2.304 -19.760 -8.399 289 1HG GLU 38 2HG GLU 38 -0.389 -21.712 -9.646 290 2HG GLU 38 1HG GLU 38 -2.044 -22.101 -9.172 291 H THR 39 H THR 39 -0.922 -18.550 -6.370 292 HA THR 39 HA THR 39 -2.164 -16.034 -6.879 293 HB THR 39 HB THR 39 -1.188 -16.761 -4.156 294 HG1 THR 39 1HG THR 39 -3.518 -18.048 -4.701 295 1HG2 THR 39 1HG2 THR 39 -3.853 -15.813 -5.216 296 2HG2 THR 39 2HG2 THR 39 -2.602 -14.786 -4.515 297 3HG2 THR 39 3HG2 THR 39 -3.416 -15.990 -3.517 298 H ILE 40 H ILE 40 0.929 -17.111 -5.551 299 HA ILE 40 HA ILE 40 1.849 -14.365 -5.262 300 HB ILE 40 HB ILE 40 3.253 -16.951 -4.539 301 1HG1 ILE 40 2HG1 ILE 40 2.870 -15.941 -2.167 302 2HG1 ILE 40 1HG1 ILE 40 1.604 -15.002 -2.947 303 1HG2 ILE 40 1HG2 ILE 40 4.845 -15.540 -3.334 304 2HG2 ILE 40 2HG2 ILE 40 4.009 -14.098 -3.911 305 3HG2 ILE 40 3HG2 ILE 40 4.829 -15.159 -5.056 306 1HD1 ILE 40 1HD1 ILE 40 0.490 -17.058 -3.627 307 2HD1 ILE 40 2HD1 ILE 40 0.717 -16.998 -1.879 308 3HD1 ILE 40 3HD1 ILE 40 1.770 -18.006 -2.871 309 H LYS 41 H LYS 41 1.821 -13.929 -7.516 310 HA LYS 41 HA LYS 41 4.386 -14.287 -8.688 311 1HB LYS 41 2HB LYS 41 3.596 -16.371 -9.493 312 2HB LYS 41 1HB LYS 41 2.038 -15.709 -9.945 313 1HG LYS 41 2HG LYS 41 3.330 -14.276 -11.615 314 2HG LYS 41 1HG LYS 41 4.682 -15.362 -11.300 315 1HD LYS 41 2HD LYS 41 3.412 -17.257 -12.049 316 2HD LYS 41 1HD LYS 41 1.951 -16.276 -12.186 317 1HE LYS 41 2HE LYS 41 3.147 -14.891 -13.894 318 2HE LYS 41 1HE LYS 41 4.458 -16.070 -13.843 319 1HZ LYS 41 1HZ LYS 41 1.638 -16.724 -14.514 320 2HZ LYS 41 2HZ LYS 41 2.976 -17.766 -14.608 321 3HZ LYS 41 3HZ LYS 41 2.855 -16.445 -15.660 322 HA PRO 42 HA PRO 42 1.976 -11.356 -11.546 323 1HB PRO 42 2HB PRO 42 -0.808 -11.155 -10.763 324 2HB PRO 42 1HB PRO 42 -0.130 -11.692 -12.301 325 1HG PRO 42 2HG PRO 42 -1.418 -13.363 -10.580 326 2HG PRO 42 1HG PRO 42 -0.141 -13.899 -11.686 327 1HD PRO 42 2HD PRO 42 0.032 -13.252 -8.764 328 2HD PRO 42 1HD PRO 42 0.750 -14.600 -9.661 329 H ALA 43 H ALA 43 0.136 -11.224 -8.507 330 HA ALA 43 HA ALA 43 0.004 -8.434 -8.317 331 1HB ALA 43 1HB ALA 43 -1.464 -9.927 -7.051 332 2HB ALA 43 2HB ALA 43 -0.630 -8.793 -5.990 333 3HB ALA 43 3HB ALA 43 -0.085 -10.467 -6.087 334 H VAL 44 H VAL 44 2.380 -10.734 -7.096 335 HA VAL 44 HA VAL 44 3.804 -9.049 -5.395 336 HB VAL 44 HB VAL 44 4.931 -11.291 -7.081 337 1HG1 VAL 44 1HG1 VAL 44 6.669 -9.868 -6.118 338 2HG1 VAL 44 2HG1 VAL 44 6.645 -11.454 -5.348 339 3HG1 VAL 44 3HG1 VAL 44 5.949 -10.063 -4.519 340 1HG2 VAL 44 1HG2 VAL 44 4.525 -12.695 -5.113 341 2HG2 VAL 44 2HG2 VAL 44 3.028 -12.040 -5.775 342 3HG2 VAL 44 3HG2 VAL 44 3.730 -11.337 -4.318 343 H GLU 45 H GLU 45 4.265 -9.681 -8.860 344 HA GLU 45 HA GLU 45 6.515 -7.972 -9.099 345 1HB GLU 45 2HB GLU 45 4.649 -9.129 -11.169 346 2HB GLU 45 1HB GLU 45 6.132 -8.265 -11.537 347 1HG GLU 45 2HG GLU 45 7.311 -9.995 -10.090 348 2HG GLU 45 1HG GLU 45 5.809 -10.913 -10.181 349 H GLU 46 H GLU 46 3.070 -7.595 -9.915 350 HA GLU 46 HA GLU 46 3.250 -5.055 -11.035 351 1HB GLU 46 2HB GLU 46 1.026 -6.541 -9.679 352 2HB GLU 46 1HB GLU 46 0.808 -4.941 -10.334 353 1HG GLU 46 2HG GLU 46 1.584 -5.816 -12.541 354 2HG GLU 46 1HG GLU 46 1.539 -7.429 -11.830 355 H ASN 47 H ASN 47 2.396 -5.992 -7.697 356 HA ASN 47 HA ASN 47 2.055 -3.341 -6.791 357 1HB ASN 47 2HB ASN 47 2.508 -5.936 -5.336 358 2HB ASN 47 1HB ASN 47 2.348 -4.406 -4.478 359 1HD2 ASN 47 1HD2 ASN 47 0.373 -3.311 -4.534 360 2HD2 ASN 47 2HD2 ASN 47 -1.096 -4.106 -4.972 361 H ASP 48 H ASP 48 4.889 -5.368 -7.072 362 HA ASP 48 HA ASP 48 6.665 -3.878 -5.491 363 1HB ASP 48 2HB ASP 48 7.444 -5.971 -6.289 364 2HB ASP 48 1HB ASP 48 7.080 -5.558 -7.961 365 H GLU 49 H GLU 49 6.030 -3.634 -8.992 366 HA GLU 49 HA GLU 49 7.545 -1.259 -9.338 367 1HB GLU 49 2HB GLU 49 5.300 -2.345 -11.046 368 2HB GLU 49 1HB GLU 49 6.456 -1.114 -11.532 369 1HG GLU 49 2HG GLU 49 8.269 -2.743 -11.324 370 2HG GLU 49 1HG GLU 49 7.095 -3.975 -10.856 371 H LEU 50 H LEU 50 4.192 -1.928 -8.599 372 HA LEU 50 HA LEU 50 3.070 0.601 -8.982 373 1HB LEU 50 2HB LEU 50 1.944 -1.631 -8.391 374 2HB LEU 50 1HB LEU 50 2.332 -1.252 -6.727 375 HG LEU 50 HG LEU 50 1.026 0.898 -7.037 376 1HD1 LEU 50 1HD1 LEU 50 1.040 0.930 -9.475 377 2HD1 LEU 50 2HD1 LEU 50 -0.610 0.925 -8.850 378 3HD1 LEU 50 3HD1 LEU 50 0.090 -0.556 -9.506 379 1HD2 LEU 50 1HD2 LEU 50 0.158 -1.014 -5.800 380 2HD2 LEU 50 2HD2 LEU 50 -0.433 -1.727 -7.303 381 3HD2 LEU 50 3HD2 LEU 50 -1.125 -0.216 -6.711 382 H ALA 51 H ALA 51 4.388 -0.855 -6.025 383 HA ALA 51 HA ALA 51 4.198 1.505 -4.469 384 1HB ALA 51 1HB ALA 51 5.982 -0.886 -4.028 385 2HB ALA 51 2HB ALA 51 4.299 -0.761 -3.509 386 3HB ALA 51 3HB ALA 51 5.518 0.317 -2.826 387 H ALA 52 H ALA 52 6.723 0.164 -6.520 388 HA ALA 52 HA ALA 52 8.826 1.859 -5.729 389 1HB ALA 52 1HB ALA 52 8.320 0.597 -8.423 390 2HB ALA 52 2HB ALA 52 9.207 -0.130 -7.083 391 3HB ALA 52 3HB ALA 52 9.844 1.303 -7.890 392 H ARG 53 H ARG 53 6.475 2.177 -8.391 393 HA ARG 53 HA ARG 53 7.347 4.726 -9.233 394 1HB ARG 53 2HB ARG 53 5.426 2.815 -10.023 395 2HB ARG 53 1HB ARG 53 4.547 4.313 -9.746 396 1HG ARG 53 2HG ARG 53 6.991 4.091 -11.481 397 2HG ARG 53 1HG ARG 53 5.335 3.989 -12.075 398 1HD ARG 53 2HD ARG 53 4.871 6.230 -11.393 399 2HD ARG 53 1HD ARG 53 6.397 6.336 -10.513 400 HE ARG 53 HE ARG 53 7.367 5.961 -12.900 401 1HH1 ARG 53 1HH1 ARG 53 4.559 7.910 -12.071 402 2HH1 ARG 53 2HH1 ARG 53 4.781 8.994 -13.405 403 1HH2 ARG 53 1HH2 ARG 53 7.641 7.368 -14.641 404 2HH2 ARG 53 2HH2 ARG 53 6.528 8.684 -14.889 405 H TRP 54 H TRP 54 4.911 3.644 -6.925 406 HA TRP 54 HA TRP 54 3.775 6.161 -6.387 407 1HB TRP 54 2HB TRP 54 2.780 3.984 -5.689 408 2HB TRP 54 1HB TRP 54 4.045 3.829 -4.476 409 HD1 TRP 54 HD TRP 54 0.948 5.961 -5.294 410 HE1 TRP 54 1HE TRP 54 0.128 7.080 -3.126 411 HE3 TRP 54 3HE TRP 54 4.753 4.560 -2.174 412 HZ2 TRP 54 2HZ TRP 54 0.980 7.327 -0.449 413 HZ3 TRP 54 3HZ TRP 54 4.672 5.279 0.178 414 HH2 TRP 54 HH TRP 54 2.822 6.635 1.022 415 H ALA 55 H ALA 55 6.476 4.422 -4.881 416 HA ALA 55 HA ALA 55 7.055 6.276 -2.869 417 1HB ALA 55 1HB ALA 55 8.969 4.473 -4.347 418 2HB ALA 55 2HB ALA 55 8.013 4.029 -2.933 419 3HB ALA 55 3HB ALA 55 9.270 5.259 -2.795 420 H GLU 56 H GLU 56 8.367 6.018 -6.168 421 HA GLU 56 HA GLU 56 10.108 8.196 -6.020 422 1HB GLU 56 2HB GLU 56 8.943 6.492 -8.099 423 2HB GLU 56 1HB GLU 56 9.414 8.089 -8.643 424 1HG GLU 56 2HG GLU 56 11.237 6.253 -7.121 425 2HG GLU 56 1HG GLU 56 11.156 6.316 -8.877 426 H GLY 57 H GLY 57 6.728 7.984 -7.048 427 1HA GLY 57 2HA GLY 57 6.466 10.713 -7.792 428 2HA GLY 57 1HA GLY 57 5.150 9.608 -7.430 429 H ALA 58 H ALA 58 5.756 8.968 -4.785 430 HA ALA 58 HA ALA 58 4.669 11.173 -3.399 431 1HB ALA 58 1HB ALA 58 6.064 8.760 -2.247 432 2HB ALA 58 2HB ALA 58 4.356 8.846 -2.676 433 3HB ALA 58 3HB ALA 58 4.993 9.861 -1.380 434 H LEU 59 H LEU 59 7.973 9.968 -3.750 435 HA LEU 59 HA LEU 59 9.252 11.695 -1.961 436 1HB LEU 59 2HB LEU 59 10.103 10.287 -4.470 437 2HB LEU 59 1HB LEU 59 11.192 11.341 -3.611 438 HG LEU 59 HG LEU 59 9.901 8.867 -2.475 439 1HD1 LEU 59 1HD1 LEU 59 12.751 9.398 -3.303 440 2HD1 LEU 59 2HD1 LEU 59 11.603 8.358 -4.146 441 3HD1 LEU 59 3HD1 LEU 59 12.158 7.929 -2.528 442 1HD2 LEU 59 1HD2 LEU 59 11.966 10.712 -1.281 443 2HD2 LEU 59 2HD2 LEU 59 11.360 9.222 -0.557 444 3HD2 LEU 59 3HD2 LEU 59 10.279 10.598 -0.784 445 H GLU 60 H GLU 60 8.204 12.109 -5.282 446 HA GLU 60 HA GLU 60 9.360 14.684 -5.666 447 1HB GLU 60 2HB GLU 60 8.574 13.129 -7.491 448 2HB GLU 60 1HB GLU 60 6.926 13.523 -7.031 449 1HG GLU 60 2HG GLU 60 7.569 14.823 -8.947 450 2HG GLU 60 1HG GLU 60 7.348 15.880 -7.555 451 H LEU 61 H LEU 61 6.179 13.522 -4.638 452 HA LEU 61 HA LEU 61 4.918 16.022 -4.436 453 1HB LEU 61 2HB LEU 61 4.385 13.289 -3.477 454 2HB LEU 61 1HB LEU 61 3.639 14.563 -2.534 455 HG LEU 61 HG LEU 61 2.129 13.672 -4.256 456 1HD1 LEU 61 1HD1 LEU 61 1.415 15.794 -5.182 457 2HD1 LEU 61 2HD1 LEU 61 2.986 16.509 -4.818 458 3HD1 LEU 61 3HD1 LEU 61 1.921 16.003 -3.505 459 1HD2 LEU 61 1HD2 LEU 61 4.166 14.745 -6.206 460 2HD2 LEU 61 2HD2 LEU 61 2.563 14.138 -6.623 461 3HD2 LEU 61 3HD2 LEU 61 3.768 13.047 -5.939 462 H ILE 62 H ILE 62 6.628 14.113 -1.941 463 HA ILE 62 HA ILE 62 6.183 16.101 0.075 464 HB ILE 62 HB ILE 62 7.752 14.848 1.465 465 1HG1 ILE 62 2HG1 ILE 62 8.145 13.091 -0.971 466 2HG1 ILE 62 1HG1 ILE 62 9.347 14.193 -0.303 467 1HG2 ILE 62 1HG2 ILE 62 5.757 13.144 -0.022 468 2HG2 ILE 62 2HG2 ILE 62 5.451 14.130 1.408 469 3HG2 ILE 62 3HG2 ILE 62 6.499 12.716 1.520 470 1HD1 ILE 62 1HD1 ILE 62 9.783 11.890 0.336 471 2HD1 ILE 62 2HD1 ILE 62 8.192 11.787 1.092 472 3HD1 ILE 62 3HD1 ILE 62 9.413 12.878 1.747 473 H LYS 63 H LYS 63 8.316 15.867 -2.513 474 HA LYS 63 HA LYS 63 10.433 17.467 -1.414 475 1HB LYS 63 2HB LYS 63 11.004 16.008 -3.209 476 2HB LYS 63 1HB LYS 63 9.674 16.578 -4.196 477 1HG LYS 63 2HG LYS 63 11.871 18.453 -3.447 478 2HG LYS 63 1HG LYS 63 12.111 17.285 -4.746 479 1HD LYS 63 2HD LYS 63 9.788 18.229 -5.563 480 2HD LYS 63 1HD LYS 63 10.270 19.627 -4.601 481 1HE LYS 63 2HE LYS 63 10.954 19.937 -6.893 482 2HE LYS 63 1HE LYS 63 12.378 19.731 -5.870 483 1HZ LYS 63 1HZ LYS 63 11.128 17.541 -7.436 484 2HZ LYS 63 2HZ LYS 63 12.598 17.486 -6.593 485 3HZ LYS 63 3HZ LYS 63 12.456 18.453 -7.974 486 H VAL 64 H VAL 64 7.456 17.969 -3.157 487 HA VAL 64 HA VAL 64 7.940 20.815 -3.494 488 HB VAL 64 HB VAL 64 5.496 19.166 -4.164 489 1HG1 VAL 64 1HG1 VAL 64 4.858 21.086 -5.556 490 2HG1 VAL 64 2HG1 VAL 64 6.238 21.985 -4.926 491 3HG1 VAL 64 3HG1 VAL 64 4.933 21.499 -3.844 492 1HG2 VAL 64 1HG2 VAL 64 7.445 18.483 -5.459 493 2HG2 VAL 64 2HG2 VAL 64 7.721 20.155 -5.943 494 3HG2 VAL 64 3HG2 VAL 64 6.269 19.309 -6.478 495 H ARG 65 H ARG 65 5.653 18.717 -1.773 496 HA ARG 65 HA ARG 65 4.375 20.952 -0.473 497 1HB ARG 65 2HB ARG 65 4.047 17.967 -0.250 498 2HB ARG 65 1HB ARG 65 3.158 19.093 0.763 499 1HG ARG 65 2HG ARG 65 3.075 19.133 -2.242 500 2HG ARG 65 1HG ARG 65 1.922 18.257 -1.234 501 1HD ARG 65 2HD ARG 65 0.913 20.329 -1.756 502 2HD ARG 65 1HD ARG 65 1.443 20.439 -0.081 503 HE ARG 65 HE ARG 65 3.445 21.461 -1.780 504 1HH1 ARG 65 1HH1 ARG 65 0.250 22.236 -0.603 505 2HH1 ARG 65 2HH1 ARG 65 0.457 23.952 -0.761 506 1HH2 ARG 65 1HH2 ARG 65 3.750 23.729 -1.970 507 2HH2 ARG 65 2HH2 ARG 65 2.469 24.810 -1.511 508 H ARG 66 H ARG 66 6.850 18.645 0.305 509 HA ARG 66 HA ARG 66 8.140 18.262 2.114 510 1HB ARG 66 2HB ARG 66 7.154 20.982 2.721 511 2HB ARG 66 1HB ARG 66 7.700 20.049 4.107 512 1HG ARG 66 2HG ARG 66 9.486 21.423 3.195 513 2HG ARG 66 1HG ARG 66 9.860 19.705 3.051 514 1HD ARG 66 2HD ARG 66 9.034 19.810 0.693 515 2HD ARG 66 1HD ARG 66 8.901 21.560 0.877 516 HE ARG 66 HE ARG 66 11.481 20.221 1.336 517 1HH1 ARG 66 1HH1 ARG 66 9.502 22.450 -0.487 518 2HH1 ARG 66 2HH1 ARG 66 10.835 23.157 -1.351 519 1HH2 ARG 66 1HH2 ARG 66 13.259 21.143 0.206 520 2HH2 ARG 66 2HH2 ARG 66 12.975 22.411 -0.940 521 HA PRO 67 HA PRO 67 5.501 15.602 4.354 522 1HB PRO 67 2HB PRO 67 7.642 15.535 6.404 523 2HB PRO 67 1HB PRO 67 6.941 14.214 5.464 524 1HG PRO 67 2HG PRO 67 9.391 15.121 4.932 525 2HG PRO 67 1HG PRO 67 8.296 14.625 3.627 526 1HD PRO 67 2HD PRO 67 8.992 17.379 4.574 527 2HD PRO 67 1HD PRO 67 8.783 16.777 2.916 528 H LYS 68 H LYS 68 3.802 16.779 5.142 529 HA LYS 68 HA LYS 68 4.196 18.252 7.656 530 1HB LYS 68 2HB LYS 68 1.859 18.223 5.728 531 2HB LYS 68 1HB LYS 68 1.945 19.183 7.199 532 1HG LYS 68 2HG LYS 68 3.681 20.530 6.334 533 2HG LYS 68 1HG LYS 68 3.952 19.433 4.978 534 1HD LYS 68 2HD LYS 68 1.783 19.997 4.053 535 2HD LYS 68 1HD LYS 68 1.428 21.021 5.445 536 1HE LYS 68 2HE LYS 68 3.709 21.466 3.524 537 2HE LYS 68 1HE LYS 68 2.146 22.279 3.429 538 1HZ LYS 68 1HZ LYS 68 2.546 23.182 5.650 539 2HZ LYS 68 2HZ LYS 68 3.741 23.667 4.551 540 3HZ LYS 68 3HZ LYS 68 4.074 22.448 5.686 541 H TYR 69 H TYR 69 1.881 15.998 6.145 542 HA TYR 69 HA TYR 69 1.011 15.059 8.760 543 1HB TYR 69 2HB TYR 69 0.296 14.113 5.978 544 2HB TYR 69 1HB TYR 69 -0.440 13.524 7.461 545 HD1 TYR 69 1HD TYR 69 -0.531 16.009 4.898 546 HD2 TYR 69 2HD TYR 69 -1.736 15.187 8.893 547 HE1 TYR 69 1HE TYR 69 -2.224 17.781 4.741 548 HE2 TYR 69 2HE TYR 69 -3.440 16.957 8.747 549 HH TYR 69 HH TYR 69 -4.348 18.373 5.794 550 H VAL 70 H VAL 70 2.470 13.622 5.870 551 HA VAL 70 HA VAL 70 3.116 11.198 7.312 552 HB VAL 70 HB VAL 70 2.268 11.193 4.957 553 1HG1 VAL 70 1HG1 VAL 70 3.837 11.697 3.141 554 2HG1 VAL 70 2HG1 VAL 70 4.995 12.304 4.323 555 3HG1 VAL 70 3HG1 VAL 70 3.447 13.120 4.107 556 1HG2 VAL 70 1HG2 VAL 70 3.398 9.244 5.844 557 2HG2 VAL 70 2HG2 VAL 70 4.965 9.915 5.388 558 3HG2 VAL 70 3HG2 VAL 70 3.804 9.459 4.141 559 H HIS 71 H HIS 71 5.306 10.288 7.249 560 HA HIS 71 HA HIS 71 7.391 12.365 7.507 561 1HB HIS 71 2HB HIS 71 6.759 11.000 9.544 562 2HB HIS 71 1HB HIS 71 7.352 9.580 8.699 563 HD1 HIS 71 1HD HIS 71 8.707 12.977 9.790 564 HD2 HIS 71 2HD HIS 71 9.914 9.024 9.306 565 HE1 HIS 71 1HE HIS 71 11.074 12.874 10.650 566 HE2 HIS 71 2HE HIS 71 11.805 10.482 10.297 567 H LYS 72 H LYS 72 9.390 12.023 6.395 568 HA LYS 72 HA LYS 72 9.092 10.899 3.860 569 1HB LYS 72 2HB LYS 72 10.746 12.663 4.440 570 2HB LYS 72 1HB LYS 72 11.720 11.445 5.251 571 1HG LYS 72 2HG LYS 72 11.972 10.243 3.123 572 2HG LYS 72 1HG LYS 72 11.021 11.490 2.318 573 1HD LYS 72 2HD LYS 72 13.268 12.049 1.886 574 2HD LYS 72 1HD LYS 72 12.757 13.144 3.173 575 1HE LYS 72 2HE LYS 72 14.927 12.333 3.737 576 2HE LYS 72 1HE LYS 72 13.768 11.558 4.816 577 1HZ LYS 72 1HZ LYS 72 13.836 9.598 3.332 578 2HZ LYS 72 2HZ LYS 72 15.331 9.941 4.047 579 3HZ LYS 72 3HZ LYS 72 15.052 10.348 2.423 580 H GLU 73 H GLU 73 10.797 9.585 6.679 581 HA GLU 73 HA GLU 73 11.782 7.240 5.581 582 1HB GLU 73 2HB GLU 73 10.707 7.748 8.356 583 2HB GLU 73 1HB GLU 73 11.600 6.306 7.900 584 1HG GLU 73 2HG GLU 73 13.578 7.537 7.518 585 2HG GLU 73 1HG GLU 73 12.719 9.074 7.591 586 H GLN 74 H GLN 74 8.499 8.065 6.362 587 HA GLN 74 HA GLN 74 7.535 5.400 6.573 588 1HB GLN 74 2HB GLN 74 6.162 8.051 6.186 589 2HB GLN 74 1HB GLN 74 5.275 6.542 6.272 590 1HG GLN 74 2HG GLN 74 7.001 7.764 8.406 591 2HG GLN 74 1HG GLN 74 5.248 7.576 8.422 592 1HE2 GLN 74 1HE2 GLN 74 7.270 6.621 10.309 593 2HE2 GLN 74 2HE2 GLN 74 7.062 4.902 10.396 594 H ILE 75 H ILE 75 7.550 7.802 3.940 595 HA ILE 75 HA ILE 75 6.074 6.351 2.069 596 HB ILE 75 HB ILE 75 8.351 8.288 1.623 597 1HG1 ILE 75 2HG1 ILE 75 6.317 9.629 0.683 598 2HG1 ILE 75 1HG1 ILE 75 5.358 8.505 1.641 599 1HG2 ILE 75 1HG2 ILE 75 6.525 7.088 -0.452 600 2HG2 ILE 75 2HG2 ILE 75 8.256 6.795 -0.289 601 3HG2 ILE 75 3HG2 ILE 75 7.670 8.400 -0.728 602 1HD1 ILE 75 1HD1 ILE 75 7.525 10.295 2.710 603 2HD1 ILE 75 2HD1 ILE 75 6.492 9.223 3.655 604 3HD1 ILE 75 3HD1 ILE 75 5.793 10.604 2.812 605 H GLU 76 H GLU 76 9.533 6.298 2.749 606 HA GLU 76 HA GLU 76 10.162 4.440 0.676 607 1HB GLU 76 2HB GLU 76 11.749 5.243 3.123 608 2HB GLU 76 1HB GLU 76 12.382 4.372 1.731 609 1HG GLU 76 2HG GLU 76 11.850 6.303 0.306 610 2HG GLU 76 1HG GLU 76 11.279 7.173 1.729 611 H ALA 77 H ALA 77 9.206 4.162 4.012 612 HA ALA 77 HA ALA 77 9.981 1.400 4.262 613 1HB ALA 77 1HB ALA 77 8.182 3.057 6.030 614 2HB ALA 77 2HB ALA 77 9.924 2.869 6.218 615 3HB ALA 77 3HB ALA 77 8.861 1.477 6.426 616 H VAL 78 H VAL 78 7.065 3.180 3.446 617 HA VAL 78 HA VAL 78 5.166 1.178 3.752 618 HB VAL 78 HB VAL 78 5.270 3.471 1.789 619 1HG1 VAL 78 1HG1 VAL 78 3.889 1.721 0.801 620 2HG1 VAL 78 2HG1 VAL 78 2.887 3.067 1.347 621 3HG1 VAL 78 3HG1 VAL 78 2.970 1.584 2.300 622 1HG2 VAL 78 1HG2 VAL 78 5.049 4.083 4.134 623 2HG2 VAL 78 2HG2 VAL 78 3.672 2.994 4.305 624 3HG2 VAL 78 3HG2 VAL 78 3.548 4.418 3.268 625 H LYS 79 H LYS 79 7.295 1.816 0.973 626 HA LYS 79 HA LYS 79 6.144 0.048 -0.833 627 1HB LYS 79 2HB LYS 79 7.976 1.608 -1.421 628 2HB LYS 79 1HB LYS 79 9.106 0.593 -0.531 629 1HG LYS 79 2HG LYS 79 8.360 -1.301 -2.062 630 2HG LYS 79 1HG LYS 79 7.600 -0.055 -3.047 631 1HD LYS 79 2HD LYS 79 9.798 1.050 -3.274 632 2HD LYS 79 1HD LYS 79 10.530 -0.277 -2.368 633 1HE LYS 79 2HE LYS 79 9.582 -1.839 -4.099 634 2HE LYS 79 1HE LYS 79 9.144 -0.416 -5.040 635 1HZ LYS 79 1HZ LYS 79 11.866 -1.327 -4.293 636 2HZ LYS 79 2HZ LYS 79 11.554 0.210 -4.947 637 3HZ LYS 79 3HZ LYS 79 11.209 -1.188 -5.852 638 H ASP 80 H ASP 80 8.764 -0.607 1.482 639 HA ASP 80 HA ASP 80 8.951 -3.359 0.762 640 1HB ASP 80 2HB ASP 80 10.875 -2.163 1.674 641 2HB ASP 80 1HB ASP 80 10.011 -1.891 3.184 642 H ASN 81 H ASN 81 7.458 -1.605 3.449 643 HA ASN 81 HA ASN 81 6.615 -3.879 4.891 644 1HB ASN 81 2HB ASN 81 5.696 -1.014 4.855 645 2HB ASN 81 1HB ASN 81 4.877 -2.216 5.844 646 1HD2 ASN 81 1HD2 ASN 81 6.358 0.138 6.686 647 2HD2 ASN 81 2HD2 ASN 81 7.631 -0.427 7.706 648 H PHE 82 H PHE 82 5.161 -2.104 2.238 649 HA PHE 82 HA PHE 82 2.605 -3.325 2.396 650 1HB PHE 82 2HB PHE 82 3.110 -1.202 1.170 651 2HB PHE 82 1HB PHE 82 3.948 -2.154 -0.048 652 HD1 PHE 82 1HD PHE 82 0.643 -1.644 1.555 653 HD2 PHE 82 2HD PHE 82 2.776 -3.131 -1.816 654 HE1 PHE 82 1HE PHE 82 -1.481 -1.968 0.357 655 HE2 PHE 82 2HE PHE 82 0.654 -3.460 -3.014 656 HZ PHE 82 HZ PHE 82 -1.476 -2.878 -1.930 657 H LEU 83 H LEU 83 5.535 -4.055 0.526 658 HA LEU 83 HA LEU 83 4.499 -6.247 -0.899 659 1HB LEU 83 2HB LEU 83 7.334 -5.711 -0.000 660 2HB LEU 83 1HB LEU 83 6.870 -6.937 -1.164 661 HG LEU 83 HG LEU 83 6.524 -3.959 -1.519 662 1HD1 LEU 83 1HD1 LEU 83 8.246 -4.191 -3.232 663 2HD1 LEU 83 2HD1 LEU 83 8.419 -5.900 -2.832 664 3HD1 LEU 83 3HD1 LEU 83 8.853 -4.668 -1.647 665 1HD2 LEU 83 1HD2 LEU 83 5.994 -6.223 -3.443 666 2HD2 LEU 83 2HD2 LEU 83 5.844 -4.499 -3.789 667 3HD2 LEU 83 3HD2 LEU 83 4.761 -5.260 -2.625 668 H GLU 84 H GLU 84 6.134 -6.030 2.219 669 HA GLU 84 HA GLU 84 6.090 -8.765 2.864 670 1HB GLU 84 2HB GLU 84 7.467 -7.201 4.097 671 2HB GLU 84 1HB GLU 84 6.053 -6.303 4.619 672 1HG GLU 84 2HG GLU 84 6.918 -7.647 6.426 673 2HG GLU 84 1HG GLU 84 5.325 -8.222 5.947 674 H LEU 85 H LEU 85 3.791 -6.149 3.483 675 HA LEU 85 HA LEU 85 1.920 -7.499 5.025 676 1HB LEU 85 2HB LEU 85 2.045 -5.026 4.446 677 2HB LEU 85 1HB LEU 85 1.266 -5.424 2.933 678 HG LEU 85 HG LEU 85 -0.025 -6.066 5.578 679 1HD1 LEU 85 1HD1 LEU 85 -1.256 -3.950 5.353 680 2HD1 LEU 85 2HD1 LEU 85 -0.233 -3.515 3.984 681 3HD1 LEU 85 3HD1 LEU 85 0.472 -3.689 5.591 682 1HD2 LEU 85 1HD2 LEU 85 -2.083 -5.945 4.244 683 2HD2 LEU 85 2HD2 LEU 85 -0.974 -7.163 3.616 684 3HD2 LEU 85 3HD2 LEU 85 -1.124 -5.605 2.804 685 H VAL 86 H VAL 86 2.010 -7.138 1.484 686 HA VAL 86 HA VAL 86 -0.287 -8.663 0.937 687 HB VAL 86 HB VAL 86 2.160 -8.255 -0.798 688 1HG1 VAL 86 1HG1 VAL 86 -0.623 -9.131 -1.575 689 2HG1 VAL 86 2HG1 VAL 86 0.813 -10.155 -1.552 690 3HG1 VAL 86 3HG1 VAL 86 0.710 -8.805 -2.682 691 1HG2 VAL 86 1HG2 VAL 86 -0.449 -6.745 -0.676 692 2HG2 VAL 86 2HG2 VAL 86 0.834 -6.485 -1.860 693 3HG2 VAL 86 3HG2 VAL 86 1.130 -6.154 -0.152 694 H LEU 87 H LEU 87 3.118 -9.591 1.200 695 HA LEU 87 HA LEU 87 2.804 -12.270 0.384 696 1HB LEU 87 2HB LEU 87 4.961 -11.093 0.447 697 2HB LEU 87 1HB LEU 87 4.891 -11.059 2.198 698 HG LEU 87 HG LEU 87 4.973 -13.536 2.224 699 1HD1 LEU 87 1HD1 LEU 87 5.386 -13.225 -0.747 700 2HD1 LEU 87 2HD1 LEU 87 4.008 -13.987 0.047 701 3HD1 LEU 87 3HD1 LEU 87 5.610 -14.718 0.167 702 1HD2 LEU 87 1HD2 LEU 87 7.228 -12.193 0.738 703 2HD2 LEU 87 2HD2 LEU 87 7.331 -13.723 1.609 704 3HD2 LEU 87 3HD2 LEU 87 7.009 -12.228 2.488 705 H GLN 88 H GLN 88 3.038 -10.852 3.649 706 HA GLN 88 HA GLN 88 2.824 -13.285 5.040 707 1HB GLN 88 2HB GLN 88 2.325 -11.903 7.018 708 2HB GLN 88 1HB GLN 88 3.695 -11.283 6.108 709 1HG GLN 88 2HG GLN 88 2.250 -9.591 5.092 710 2HG GLN 88 1HG GLN 88 0.884 -10.213 6.017 711 1HE2 GLN 88 1HE2 GLN 88 0.586 -8.221 6.994 712 2HE2 GLN 88 2HE2 GLN 88 1.634 -7.643 8.240 713 H SER 89 H SER 89 0.404 -11.250 3.622 714 HA SER 89 HA SER 89 -1.817 -12.129 5.125 715 1HB SER 89 2HB SER 89 -1.805 -10.093 3.685 716 2HB SER 89 1HB SER 89 -1.782 -11.134 2.262 717 HG SER 89 HG SER 89 -3.896 -10.270 3.436 718 H TYR 90 H TYR 90 -0.265 -13.357 2.198 719 HA TYR 90 HA TYR 90 -2.334 -15.363 1.855 720 1HB TYR 90 2HB TYR 90 0.126 -14.683 0.252 721 2HB TYR 90 1HB TYR 90 -0.914 -16.053 -0.126 722 HD1 TYR 90 1HD TYR 90 -3.395 -15.560 -0.548 723 HD2 TYR 90 2HD TYR 90 -0.380 -12.561 -0.579 724 HE1 TYR 90 1HE TYR 90 -4.879 -14.093 -1.846 725 HE2 TYR 90 2HE TYR 90 -1.857 -11.080 -1.871 726 HH TYR 90 HH TYR 90 -3.783 -11.264 -3.371 727 H VAL 91 H VAL 91 1.170 -15.318 2.523 728 HA VAL 91 HA VAL 91 1.267 -18.183 2.696 729 HB VAL 91 HB VAL 91 3.600 -17.905 3.401 730 1HG1 VAL 91 1HG1 VAL 91 4.432 -16.837 1.368 731 2HG1 VAL 91 2HG1 VAL 91 2.836 -16.140 1.078 732 3HG1 VAL 91 3HG1 VAL 91 3.060 -17.891 1.024 733 1HG2 VAL 91 1HG2 VAL 91 2.996 -14.954 3.334 734 2HG2 VAL 91 2HG2 VAL 91 4.592 -15.674 3.541 735 3HG2 VAL 91 3HG2 VAL 91 3.352 -15.913 4.771 736 H HIS 92 H HIS 92 0.631 -15.633 4.914 737 HA HIS 92 HA HIS 92 0.002 -15.607 7.097 738 1HB HIS 92 2HB HIS 92 -0.265 -18.605 6.739 739 2HB HIS 92 1HB HIS 92 -0.904 -17.678 8.090 740 HD1 HIS 92 1HD HIS 92 -2.195 -19.340 5.398 741 HD2 HIS 92 2HD HIS 92 -2.606 -15.395 6.661 742 HE1 HIS 92 1HE HIS 92 -4.329 -18.509 4.356 743 HE2 HIS 92 2HE HIS 92 -4.467 -16.074 4.988 744 H HIS 93 H HIS 93 2.805 -15.610 6.675 745 HA HIS 93 HA HIS 93 3.859 -17.474 8.645 746 1HB HIS 93 2HB HIS 93 6.091 -16.618 8.077 747 2HB HIS 93 1HB HIS 93 5.220 -17.177 6.662 748 HD1 HIS 93 1HD HIS 93 6.199 -15.822 4.838 749 HD2 HIS 93 2HD HIS 93 5.223 -13.477 8.137 750 HE1 HIS 93 1HE HIS 93 6.610 -13.447 4.131 751 HE2 HIS 93 2HE HIS 93 6.006 -12.034 6.120 752 H ILE 94 H ILE 94 2.017 -15.420 9.487 753 HA ILE 94 HA ILE 94 3.655 -14.220 11.599 754 HB ILE 94 HB ILE 94 2.256 -12.140 11.480 755 1HG1 ILE 94 2HG1 ILE 94 1.604 -13.079 8.686 756 2HG1 ILE 94 1HG1 ILE 94 0.487 -13.216 10.039 757 1HG2 ILE 94 1HG2 ILE 94 3.941 -12.607 9.034 758 2HG2 ILE 94 2HG2 ILE 94 4.581 -12.264 10.639 759 3HG2 ILE 94 3HG2 ILE 94 3.592 -11.061 9.809 760 1HD1 ILE 94 1HD1 ILE 94 1.624 -10.659 8.943 761 2HD1 ILE 94 2HD1 ILE 94 0.496 -10.794 10.293 762 3HD1 ILE 94 3HD1 ILE 94 -0.004 -11.277 8.672 763 H HIS 95 H HIS 95 2.044 -13.087 13.191 764 HA HIS 95 HA HIS 95 -0.278 -14.842 13.601 765 1HB HIS 95 2HB HIS 95 1.552 -14.372 15.417 766 2HB HIS 95 1HB HIS 95 0.722 -12.833 15.607 767 HD1 HIS 95 1HD HIS 95 -0.556 -16.418 15.316 768 HD2 HIS 95 2HD HIS 95 -0.879 -13.069 17.769 769 HE1 HIS 95 1HE HIS 95 -2.181 -17.054 17.135 770 HE2 HIS 95 2HE HIS 95 -2.480 -14.959 18.508 771 H LYS 96 H LYS 96 -2.326 -13.737 14.243 772 HA LYS 96 HA LYS 96 -3.094 -12.029 12.210 773 1HB LYS 96 2HB LYS 96 -4.432 -12.481 14.876 774 2HB LYS 96 1HB LYS 96 -5.177 -11.642 13.525 775 1HG LYS 96 2HG LYS 96 -4.884 -13.725 12.173 776 2HG LYS 96 1HG LYS 96 -4.362 -14.534 13.655 777 1HD LYS 96 2HD LYS 96 -6.505 -13.962 14.706 778 2HD LYS 96 1HD LYS 96 -7.020 -13.168 13.219 779 1HE LYS 96 2HE LYS 96 -8.009 -15.347 13.296 780 2HE LYS 96 1HE LYS 96 -6.773 -15.340 12.040 781 1HZ LYS 96 1HZ LYS 96 -6.850 -17.327 13.590 782 2HZ LYS 96 2HZ LYS 96 -6.198 -16.305 14.778 783 3HZ LYS 96 3HZ LYS 96 -5.337 -16.605 13.350 784 H LYS 97 H LYS 97 -2.195 -11.144 15.527 785 HA LYS 97 HA LYS 97 -3.025 -8.468 15.408 786 1HB LYS 97 2HB LYS 97 -2.472 -9.614 17.505 787 2HB LYS 97 1HB LYS 97 -0.777 -9.661 17.040 788 1HG LYS 97 2HG LYS 97 -0.652 -7.244 17.124 789 2HG LYS 97 1HG LYS 97 -2.376 -7.146 17.480 790 1HD LYS 97 2HD LYS 97 -0.507 -8.682 19.255 791 2HD LYS 97 1HD LYS 97 -0.699 -6.937 19.426 792 1HE LYS 97 2HE LYS 97 -2.170 -8.044 20.979 793 2HE LYS 97 1HE LYS 97 -3.130 -7.270 19.723 794 1HZ LYS 97 1HZ LYS 97 -3.523 -9.362 18.690 795 2HZ LYS 97 2HZ LYS 97 -3.873 -9.541 20.337 796 3HZ LYS 97 3HZ LYS 97 -2.422 -10.154 19.709 797 H ARG 98 H ARG 98 -0.032 -9.992 14.373 798 HA ARG 98 HA ARG 98 1.484 -7.633 14.013 799 1HB ARG 98 2HB ARG 98 2.528 -9.840 14.109 800 2HB ARG 98 1HB ARG 98 1.693 -10.324 12.641 801 1HG ARG 98 2HG ARG 98 4.017 -9.786 12.200 802 2HG ARG 98 1HG ARG 98 2.936 -8.665 11.371 803 1HD ARG 98 2HD ARG 98 4.810 -7.474 12.361 804 2HD ARG 98 1HD ARG 98 3.299 -7.014 13.141 805 HE ARG 98 HE ARG 98 4.090 -8.838 14.837 806 1HH1 ARG 98 1HH1 ARG 98 6.052 -6.468 13.182 807 2HH1 ARG 98 2HH1 ARG 98 7.225 -6.356 14.452 808 1HH2 ARG 98 1HH2 ARG 98 5.636 -8.683 16.537 809 2HH2 ARG 98 2HH2 ARG 98 6.972 -7.581 16.368 810 H PHE 99 H PHE 99 -0.785 -9.368 11.990 811 HA PHE 99 HA PHE 99 -0.220 -7.992 9.584 812 1HB PHE 99 2HB PHE 99 -1.427 -10.149 9.656 813 2HB PHE 99 1HB PHE 99 -2.782 -9.357 10.453 814 HD1 PHE 99 1HD PHE 99 -0.881 -9.605 7.309 815 HD2 PHE 99 2HD PHE 99 -4.370 -8.103 9.223 816 HE1 PHE 99 1HE PHE 99 -1.841 -9.046 5.113 817 HE2 PHE 99 2HE PHE 99 -5.337 -7.543 7.037 818 HZ PHE 99 HZ PHE 99 -4.073 -8.013 4.976 819 H LYS 100 H LYS 100 -2.537 -7.463 12.201 820 HA LYS 100 HA LYS 100 -4.000 -5.404 10.953 821 1HB LYS 100 2HB LYS 100 -4.293 -6.841 13.241 822 2HB LYS 100 1HB LYS 100 -3.742 -5.308 13.896 823 1HG LYS 100 2HG LYS 100 -6.130 -5.686 12.098 824 2HG LYS 100 1HG LYS 100 -6.182 -5.473 13.846 825 1HD LYS 100 2HD LYS 100 -5.167 -3.246 13.589 826 2HD LYS 100 1HD LYS 100 -5.152 -3.467 11.837 827 1HE LYS 100 2HE LYS 100 -7.608 -3.715 11.883 828 2HE LYS 100 1HE LYS 100 -7.585 -3.401 13.617 829 1HZ LYS 100 1HZ LYS 100 -6.784 -1.519 11.462 830 2HZ LYS 100 2HZ LYS 100 -6.586 -1.211 13.120 831 3HZ LYS 100 3HZ LYS 100 -8.142 -1.402 12.467 832 H ASP 101 H ASP 101 -1.260 -5.321 13.216 833 HA ASP 101 HA ASP 101 -1.074 -2.562 13.560 834 1HB ASP 101 2HB ASP 101 0.222 -4.101 14.926 835 2HB ASP 101 1HB ASP 101 1.125 -4.639 13.517 836 H ILE 102 H ILE 102 0.705 -4.591 11.246 837 HA ILE 102 HA ILE 102 2.032 -2.504 9.933 838 HB ILE 102 HB ILE 102 1.211 -5.196 8.819 839 1HG1 ILE 102 2HG1 ILE 102 3.801 -4.251 10.081 840 2HG1 ILE 102 1HG1 ILE 102 2.630 -5.326 10.833 841 1HG2 ILE 102 1HG2 ILE 102 3.270 -3.231 7.823 842 2HG2 ILE 102 2HG2 ILE 102 1.738 -3.610 7.037 843 3HG2 ILE 102 3HG2 ILE 102 2.992 -4.847 7.169 844 1HD1 ILE 102 1HD1 ILE 102 4.526 -6.565 9.982 845 2HD1 ILE 102 2HD1 ILE 102 4.239 -5.918 8.367 846 3HD1 ILE 102 3HD1 ILE 102 3.057 -6.997 9.105 847 H THR 103 H THR 103 -1.053 -4.103 9.149 848 HA THR 103 HA THR 103 -1.558 -2.710 6.766 849 HB THR 103 HB THR 103 -3.610 -3.785 8.714 850 HG1 THR 103 1HG THR 103 -2.291 -5.475 8.147 851 1HG2 THR 103 1HG2 THR 103 -3.781 -3.268 5.746 852 2HG2 THR 103 2HG2 THR 103 -4.566 -2.315 7.003 853 3HG2 THR 103 3HG2 THR 103 -5.046 -3.992 6.743 854 H GLU 104 H GLU 104 -2.496 -1.974 10.117 855 HA GLU 104 HA GLU 104 -4.067 0.284 9.507 856 1HB GLU 104 2HB GLU 104 -4.005 -1.121 11.644 857 2HB GLU 104 1HB GLU 104 -2.581 -0.192 12.080 858 1HG GLU 104 2HG GLU 104 -3.853 1.849 12.003 859 2HG GLU 104 1HG GLU 104 -5.290 0.965 11.500 860 H SER 105 H SER 105 -0.692 -0.107 10.501 861 HA SER 105 HA SER 105 -0.001 2.595 10.630 862 1HB SER 105 2HB SER 105 1.412 0.679 11.413 863 2HB SER 105 1HB SER 105 1.798 0.332 9.728 864 HG SER 105 HG SER 105 2.332 2.835 9.942 865 H VAL 106 H VAL 106 -0.044 0.372 7.860 866 HA VAL 106 HA VAL 106 1.033 2.239 6.006 867 HB VAL 106 HB VAL 106 -0.641 -0.237 5.515 868 1HG1 VAL 106 1HG1 VAL 106 -0.793 1.286 3.616 869 2HG1 VAL 106 2HG1 VAL 106 0.183 -0.124 3.207 870 3HG1 VAL 106 3HG1 VAL 106 0.964 1.416 3.565 871 1HG2 VAL 106 1HG2 VAL 106 2.338 0.217 5.337 872 2HG2 VAL 106 2HG2 VAL 106 1.493 -1.283 4.951 873 3HG2 VAL 106 3HG2 VAL 106 1.503 -0.677 6.608 874 H LEU 107 H LEU 107 -2.309 1.201 6.709 875 HA LEU 107 HA LEU 107 -3.587 2.813 4.824 876 1HB LEU 107 2HB LEU 107 -4.392 1.412 7.295 877 2HB LEU 107 1HB LEU 107 -5.448 2.711 6.774 878 HG LEU 107 HG LEU 107 -6.188 0.519 5.943 879 1HD1 LEU 107 1HD1 LEU 107 -5.219 2.378 3.783 880 2HD1 LEU 107 2HD1 LEU 107 -6.732 2.519 4.677 881 3HD1 LEU 107 3HD1 LEU 107 -6.467 1.147 3.600 882 1HD2 LEU 107 1HD2 LEU 107 -4.049 -0.596 5.736 883 2HD2 LEU 107 2HD2 LEU 107 -3.570 0.515 4.453 884 3HD2 LEU 107 3HD2 LEU 107 -4.897 -0.617 4.189 885 H TYR 108 H TYR 108 -2.710 3.541 8.191 886 HA TYR 108 HA TYR 108 -3.837 6.107 8.304 887 1HB TYR 108 2HB TYR 108 -2.951 4.901 10.278 888 2HB TYR 108 1HB TYR 108 -1.315 5.131 9.671 889 HD1 TYR 108 1HD TYR 108 -0.096 6.918 10.509 890 HD2 TYR 108 2HD TYR 108 -4.346 7.152 10.510 891 HE1 TYR 108 1HE TYR 108 0.030 9.082 11.671 892 HE2 TYR 108 2HE TYR 108 -4.231 9.313 11.672 893 HH TYR 108 HH TYR 108 -1.276 11.047 12.067 894 H THR 109 H THR 109 -0.602 5.061 7.312 895 HA THR 109 HA THR 109 0.462 7.580 6.723 896 HB THR 109 HB THR 109 1.116 4.943 5.393 897 HG1 THR 109 1HG THR 109 1.510 4.629 7.526 898 1HG2 THR 109 1HG2 THR 109 2.039 6.872 4.192 899 2HG2 THR 109 2HG2 THR 109 3.314 5.939 4.978 900 3HG2 THR 109 3HG2 THR 109 2.766 7.457 5.689 901 H LEU 110 H LEU 110 -1.265 5.263 4.646 902 HA LEU 110 HA LEU 110 -1.006 6.658 2.234 903 1HB LEU 110 2HB LEU 110 -3.199 4.814 3.178 904 2HB LEU 110 1HB LEU 110 -3.020 5.362 1.523 905 HG LEU 110 HG LEU 110 -1.004 3.698 3.035 906 1HD1 LEU 110 1HD1 LEU 110 -2.903 2.937 0.819 907 2HD1 LEU 110 2HD1 LEU 110 -3.038 2.449 2.508 908 3HD1 LEU 110 3HD1 LEU 110 -1.675 1.895 1.536 909 1HD2 LEU 110 1HD2 LEU 110 0.120 3.489 0.882 910 2HD2 LEU 110 2HD2 LEU 110 0.024 5.178 1.380 911 3HD2 LEU 110 3HD2 LEU 110 -1.071 4.558 0.145 912 H HIS 111 H HIS 111 -3.477 6.901 4.764 913 HA HIS 111 HA HIS 111 -5.108 8.746 3.340 914 1HB HIS 111 2HB HIS 111 -4.953 7.864 6.197 915 2HB HIS 111 1HB HIS 111 -5.923 9.271 5.780 916 HD1 HIS 111 1HD HIS 111 -8.266 8.794 5.108 917 HD2 HIS 111 2HD HIS 111 -5.809 5.461 4.660 918 HE1 HIS 111 1HE HIS 111 -9.787 6.910 4.419 919 HE2 HIS 111 2HE HIS 111 -8.313 4.871 4.357 920 H ALA 112 H ALA 112 -2.353 9.076 5.458 921 HA ALA 112 HA ALA 112 -2.548 11.884 5.857 922 1HB ALA 112 1HB ALA 112 -0.105 10.116 5.997 923 2HB ALA 112 2HB ALA 112 -1.230 10.416 7.323 924 3HB ALA 112 3HB ALA 112 -0.262 11.737 6.671 925 H VAL 113 H VAL 113 -0.909 9.860 3.471 926 HA VAL 113 HA VAL 113 0.495 12.018 2.230 927 HB VAL 113 HB VAL 113 -0.153 9.277 1.118 928 1HG1 VAL 113 1HG1 VAL 113 1.890 11.313 0.227 929 2HG1 VAL 113 2HG1 VAL 113 0.420 10.866 -0.639 930 3HG1 VAL 113 3HG1 VAL 113 1.710 9.682 -0.421 931 1HG2 VAL 113 1HG2 VAL 113 2.319 10.281 2.521 932 2HG2 VAL 113 2HG2 VAL 113 2.122 8.686 1.793 933 3HG2 VAL 113 3HG2 VAL 113 1.137 9.151 3.180 934 H LYS 114 H LYS 114 -2.511 10.304 1.635 935 HA LYS 114 HA LYS 114 -3.172 11.442 -0.833 936 1HB LYS 114 2HB LYS 114 -4.257 9.462 0.283 937 2HB LYS 114 1HB LYS 114 -5.094 10.586 1.338 938 1HG LYS 114 2HG LYS 114 -5.351 10.901 -1.618 939 2HG LYS 114 1HG LYS 114 -6.246 9.615 -0.809 940 1HD LYS 114 2HD LYS 114 -6.369 12.512 0.019 941 2HD LYS 114 1HD LYS 114 -7.503 11.770 -1.110 942 1HE LYS 114 2HE LYS 114 -8.141 10.144 0.624 943 2HE LYS 114 1HE LYS 114 -7.028 10.919 1.748 944 1HZ LYS 114 1HZ LYS 114 -8.326 12.938 1.619 945 2HZ LYS 114 2HZ LYS 114 -9.333 11.645 2.065 946 3HZ LYS 114 3HZ LYS 114 -9.372 12.244 0.481 947 H ASP 115 H ASP 115 -3.695 12.597 2.474 948 HA ASP 115 HA ASP 115 -5.328 14.805 1.669 949 1HB ASP 115 2HB ASP 115 -5.161 13.717 4.019 950 2HB ASP 115 1HB ASP 115 -3.769 14.775 4.237 951 H GLU 116 H GLU 116 -1.892 14.336 2.249 952 HA GLU 116 HA GLU 116 -1.058 17.000 2.059 953 1HB GLU 116 2HB GLU 116 0.185 14.711 2.622 954 2HB GLU 116 1HB GLU 116 0.615 14.809 0.922 955 1HG GLU 116 2HG GLU 116 2.390 15.778 2.086 956 2HG GLU 116 1HG GLU 116 1.484 17.127 1.406 957 H ILE 117 H ILE 117 -1.583 14.493 -0.385 958 HA ILE 117 HA ILE 117 -0.779 15.948 -2.653 959 HB ILE 117 HB ILE 117 -2.875 13.772 -2.446 960 1HG1 ILE 117 2HG1 ILE 117 0.047 13.616 -3.218 961 2HG1 ILE 117 1HG1 ILE 117 -0.609 13.135 -1.656 962 1HG2 ILE 117 1HG2 ILE 117 -2.524 13.435 -4.836 963 2HG2 ILE 117 2HG2 ILE 117 -1.402 14.794 -4.870 964 3HG2 ILE 117 3HG2 ILE 117 -3.106 15.069 -4.507 965 1HD1 ILE 117 1HD1 ILE 117 -0.221 11.209 -3.071 966 2HD1 ILE 117 2HD1 ILE 117 -1.267 11.888 -4.315 967 3HD1 ILE 117 3HD1 ILE 117 -1.945 11.410 -2.760 968 H ALA 118 H ALA 118 -3.897 15.710 -0.994 969 HA ALA 118 HA ALA 118 -5.297 17.430 -2.776 970 1HB ALA 118 1HB ALA 118 -6.439 15.873 -1.266 971 2HB ALA 118 2HB ALA 118 -6.996 17.531 -1.038 972 3HB ALA 118 3HB ALA 118 -5.876 16.808 0.117 973 H ARG 119 H ARG 119 -3.240 17.884 -0.030 974 HA ARG 119 HA ARG 119 -3.908 20.645 0.410 975 1HB ARG 119 2HB ARG 119 -3.140 19.002 2.166 976 2HB ARG 119 1HB ARG 119 -1.535 19.095 1.459 977 1HG ARG 119 2HG ARG 119 -1.402 21.448 1.994 978 2HG ARG 119 1HG ARG 119 -3.062 21.430 2.596 979 1HD ARG 119 2HD ARG 119 -2.305 19.654 4.227 980 2HD ARG 119 1HD ARG 119 -0.654 20.045 3.746 981 HE ARG 119 HE ARG 119 -2.054 22.392 4.500 982 1HH1 ARG 119 1HH1 ARG 119 -0.515 19.545 5.816 983 2HH1 ARG 119 2HH1 ARG 119 -0.204 20.271 7.362 984 1HH2 ARG 119 1HH2 ARG 119 -1.656 23.355 6.551 985 2HH2 ARG 119 2HH2 ARG 119 -0.824 22.434 7.774 986 H GLU 120 H GLU 120 -2.053 19.020 -1.849 987 HA GLU 120 HA GLU 120 -0.122 21.032 -2.442 988 1HB GLU 120 2HB GLU 120 0.162 18.777 -3.267 989 2HB GLU 120 1HB GLU 120 -1.371 18.859 -4.109 990 1HG GLU 120 2HG GLU 120 0.346 19.048 -5.722 991 2HG GLU 120 1HG GLU 120 -0.405 20.633 -5.565 992 H ASP 121 H ASP 121 -3.368 21.150 -2.420 993 HA ASP 121 HA ASP 121 -5.010 22.373 -3.353 994 1HB ASP 121 2HB ASP 121 -3.572 24.308 -2.840 995 2HB ASP 121 1HB ASP 121 -2.756 24.120 -4.389 996 H SER 122 H SER 122 -5.134 20.352 -4.590 997 HA SER 122 HA SER 122 -4.278 20.448 -7.336 998 1HB SER 122 2HB SER 122 -5.821 18.296 -7.320 999 2HB SER 122 1HB SER 122 -4.218 18.270 -6.585 1000 HG SER 122 HG SER 122 -5.151 17.845 -4.766 1001 H ARG 123 H ARG 123 -5.374 21.263 -8.961 1002 HA ARG 123 HA ARG 123 -7.964 22.428 -8.532 1003 1HB ARG 123 2HB ARG 123 -6.209 23.486 -9.934 1004 2HB ARG 123 1HB ARG 123 -6.366 22.170 -11.087 1005 1HG ARG 123 2HG ARG 123 -8.528 22.852 -11.722 1006 2HG ARG 123 1HG ARG 123 -8.673 23.941 -10.342 1007 1HD ARG 123 2HD ARG 123 -8.235 25.118 -12.476 1008 2HD ARG 123 1HD ARG 123 -7.002 25.409 -11.252 1009 HE ARG 123 HE ARG 123 -5.698 23.614 -12.494 1010 1HH1 ARG 123 1HH1 ARG 123 -8.037 25.694 -14.078 1011 2HH1 ARG 123 2HH1 ARG 123 -7.196 25.688 -15.605 1012 1HH2 ARG 123 1HH2 ARG 123 -4.600 23.595 -14.477 1013 2HH2 ARG 123 2HH2 ARG 123 -5.225 24.483 -15.836 Start of MODEL 4 1 1H MET 1 1HT MET 1 -10.189 15.055 -12.533 2 2H MET 1 2HT MET 1 -9.112 13.760 -12.368 3 3H MET 1 3HT MET 1 -9.390 14.793 -11.061 4 HA MET 1 HA MET 1 -11.657 14.070 -10.900 5 1HB MET 1 2HB MET 1 -10.904 12.318 -13.244 6 2HB MET 1 1HB MET 1 -12.332 12.049 -12.258 7 1HG MET 1 2HG MET 1 -12.986 13.208 -14.232 8 2HG MET 1 1HG MET 1 -13.115 14.319 -12.869 9 1HE MET 1 1HE MET 1 -13.177 15.308 -15.870 10 2HE MET 1 2HE MET 1 -12.097 16.701 -15.800 11 3HE MET 1 3HE MET 1 -13.248 16.410 -14.494 12 H LEU 2 H LEU 2 -12.123 11.356 -10.697 13 HA LEU 2 HA LEU 2 -10.769 10.621 -8.390 14 1HB LEU 2 2HB LEU 2 -12.071 8.791 -10.407 15 2HB LEU 2 1HB LEU 2 -11.766 8.422 -8.719 16 HG LEU 2 HG LEU 2 -13.609 10.624 -9.649 17 1HD1 LEU 2 1HD1 LEU 2 -14.446 8.448 -10.372 18 2HD1 LEU 2 2HD1 LEU 2 -15.439 9.121 -9.079 19 3HD1 LEU 2 3HD1 LEU 2 -14.283 7.834 -8.727 20 1HD2 LEU 2 1HD2 LEU 2 -14.402 10.585 -7.351 21 2HD2 LEU 2 2HD2 LEU 2 -12.672 10.922 -7.404 22 3HD2 LEU 2 3HD2 LEU 2 -13.245 9.315 -6.955 23 H SER 3 H SER 3 -8.855 9.738 -7.998 24 HA SER 3 HA SER 3 -6.775 8.884 -8.269 25 1HB SER 3 2HB SER 3 -8.073 7.293 -10.495 26 2HB SER 3 1HB SER 3 -6.560 6.899 -9.676 27 HG SER 3 HG SER 3 -8.249 5.715 -8.757 28 H GLN 4 H GLN 4 -5.855 10.868 -8.934 29 HA GLN 4 HA GLN 4 -5.379 11.058 -11.826 30 1HB GLN 4 2HB GLN 4 -5.163 13.568 -11.394 31 2HB GLN 4 1HB GLN 4 -6.775 12.873 -11.366 32 1HG GLN 4 2HG GLN 4 -6.587 12.770 -8.868 33 2HG GLN 4 1HG GLN 4 -5.093 13.696 -9.015 34 1HE2 GLN 4 1HE2 GLN 4 -5.974 15.415 -7.837 35 2HE2 GLN 4 2HE2 GLN 4 -7.157 16.490 -8.515 36 H THR 5 H THR 5 -3.451 10.096 -11.960 37 HA THR 5 HA THR 5 -1.231 10.192 -12.336 38 HB THR 5 HB THR 5 -1.276 12.875 -10.947 39 HG1 THR 5 1HG THR 5 -0.996 13.122 -13.559 40 1HG2 THR 5 1HG2 THR 5 0.973 11.959 -11.064 41 2HG2 THR 5 2HG2 THR 5 0.804 13.272 -12.230 42 3HG2 THR 5 3HG2 THR 5 0.761 11.596 -12.777 43 H LEU 6 H LEU 6 -1.420 11.828 -9.165 44 HA LEU 6 HA LEU 6 0.535 9.878 -8.169 45 1HB LEU 6 2HB LEU 6 1.081 12.264 -7.928 46 2HB LEU 6 1HB LEU 6 -0.390 12.514 -7.006 47 HG LEU 6 HG LEU 6 0.482 11.054 -5.225 48 1HD1 LEU 6 1HD1 LEU 6 3.008 10.989 -6.871 49 2HD1 LEU 6 2HD1 LEU 6 1.905 9.633 -6.631 50 3HD1 LEU 6 3HD1 LEU 6 2.789 10.304 -5.260 51 1HD2 LEU 6 1HD2 LEU 6 0.857 13.464 -5.114 52 2HD2 LEU 6 2HD2 LEU 6 2.360 13.280 -6.019 53 3HD2 LEU 6 3HD2 LEU 6 2.208 12.579 -4.408 54 H LEU 7 H LEU 7 -2.745 10.806 -7.917 55 HA LEU 7 HA LEU 7 -3.207 9.836 -5.269 56 1HB LEU 7 2HB LEU 7 -4.566 11.596 -6.405 57 2HB LEU 7 1HB LEU 7 -5.213 10.357 -7.461 58 HG LEU 7 HG LEU 7 -6.171 9.210 -5.491 59 1HD1 LEU 7 1HD1 LEU 7 -5.221 11.647 -3.994 60 2HD1 LEU 7 2HD1 LEU 7 -4.623 10.000 -3.791 61 3HD1 LEU 7 3HD1 LEU 7 -6.286 10.395 -3.356 62 1HD2 LEU 7 1HD2 LEU 7 -6.982 12.096 -5.786 63 2HD2 LEU 7 2HD2 LEU 7 -7.972 10.800 -5.115 64 3HD2 LEU 7 3HD2 LEU 7 -7.508 10.765 -6.816 65 H GLU 8 H GLU 8 -3.452 8.483 -8.495 66 HA GLU 8 HA GLU 8 -5.225 6.398 -7.947 67 1HB GLU 8 2HB GLU 8 -4.218 5.377 -10.042 68 2HB GLU 8 1HB GLU 8 -4.914 6.976 -10.193 69 1HG GLU 8 2HG GLU 8 -2.577 7.885 -9.942 70 2HG GLU 8 1HG GLU 8 -2.012 6.225 -10.122 71 H MET 9 H MET 9 -1.646 6.369 -7.851 72 HA MET 9 HA MET 9 -1.411 3.634 -7.222 73 1HB MET 9 2HB MET 9 0.409 5.921 -6.454 74 2HB MET 9 1HB MET 9 0.797 4.227 -6.198 75 1HG MET 9 2HG MET 9 1.896 4.642 -8.155 76 2HG MET 9 1HG MET 9 0.355 4.035 -8.758 77 1HE MET 9 1HE MET 9 1.619 8.464 -8.675 78 2HE MET 9 2HE MET 9 2.664 7.112 -8.242 79 3HE MET 9 3HE MET 9 1.301 7.538 -7.207 80 H THR 10 H THR 10 -1.860 6.469 -5.179 81 HA THR 10 HA THR 10 -1.727 5.162 -2.688 82 HB THR 10 HB THR 10 -3.356 7.617 -3.404 83 HG1 THR 10 1HG THR 10 -1.417 8.420 -3.749 84 1HG2 THR 10 1HG2 THR 10 -2.215 6.716 -0.751 85 2HG2 THR 10 2HG2 THR 10 -3.914 6.630 -1.214 86 3HG2 THR 10 3HG2 THR 10 -3.126 8.198 -1.045 87 H GLU 11 H GLU 11 -4.454 5.986 -4.791 88 HA GLU 11 HA GLU 11 -6.533 5.003 -3.229 89 1HB GLU 11 2HB GLU 11 -6.267 5.201 -6.229 90 2HB GLU 11 1HB GLU 11 -7.777 4.861 -5.405 91 1HG GLU 11 2HG GLU 11 -6.142 7.372 -5.324 92 2HG GLU 11 1HG GLU 11 -7.793 7.158 -5.905 93 H GLN 12 H GLN 12 -4.566 3.363 -5.670 94 HA GLN 12 HA GLN 12 -5.976 0.915 -5.556 95 1HB GLN 12 2HB GLN 12 -4.449 1.620 -7.415 96 2HB GLN 12 1HB GLN 12 -3.086 1.318 -6.346 97 1HG GLN 12 2HG GLN 12 -3.430 -0.550 -7.848 98 2HG GLN 12 1HG GLN 12 -3.730 -1.031 -6.180 99 1HE2 GLN 12 1HE2 GLN 12 -5.017 -2.765 -6.773 100 2HE2 GLN 12 2HE2 GLN 12 -6.607 -2.564 -7.420 101 H MET 13 H MET 13 -3.141 2.153 -3.837 102 HA MET 13 HA MET 13 -2.533 -0.270 -2.506 103 1HB MET 13 2HB MET 13 -0.949 1.640 -2.761 104 2HB MET 13 1HB MET 13 -1.908 2.544 -1.595 105 1HG MET 13 2HG MET 13 -1.409 0.928 0.125 106 2HG MET 13 1HG MET 13 -0.544 -0.080 -1.032 107 1HE MET 13 1HE MET 13 1.771 0.678 -2.198 108 2HE MET 13 2HE MET 13 2.515 2.250 -1.907 109 3HE MET 13 3HE MET 13 0.968 2.152 -2.746 110 H ILE 14 H ILE 14 -4.577 2.497 -1.693 111 HA ILE 14 HA ILE 14 -5.386 1.799 0.877 112 HB ILE 14 HB ILE 14 -7.036 3.017 -1.352 113 1HG1 ILE 14 2HG1 ILE 14 -4.996 4.278 -0.512 114 2HG1 ILE 14 1HG1 ILE 14 -6.527 5.141 -0.420 115 1HG2 ILE 14 1HG2 ILE 14 -8.505 2.017 0.307 116 2HG2 ILE 14 2HG2 ILE 14 -8.578 3.778 0.387 117 3HG2 ILE 14 3HG2 ILE 14 -7.660 2.878 1.594 118 1HD1 ILE 14 1HD1 ILE 14 -5.116 3.774 1.861 119 2HD1 ILE 14 2HD1 ILE 14 -6.670 4.600 1.965 120 3HD1 ILE 14 3HD1 ILE 14 -5.213 5.513 1.574 121 H GLU 15 H GLU 15 -6.670 0.761 -2.255 122 HA GLU 15 HA GLU 15 -8.762 -0.834 -1.222 123 1HB GLU 15 2HB GLU 15 -8.690 0.041 -3.544 124 2HB GLU 15 1HB GLU 15 -7.367 -1.066 -3.899 125 1HG GLU 15 2HG GLU 15 -8.875 -2.951 -3.304 126 2HG GLU 15 1HG GLU 15 -10.194 -1.792 -3.166 127 H VAL 16 H VAL 16 -5.470 -1.635 -2.303 128 HA VAL 16 HA VAL 16 -5.733 -4.430 -2.031 129 HB VAL 16 HB VAL 16 -3.220 -2.753 -1.782 130 1HG1 VAL 16 1HG1 VAL 16 -2.910 -4.971 -0.823 131 2HG1 VAL 16 2HG1 VAL 16 -2.014 -4.806 -2.333 132 3HG1 VAL 16 3HG1 VAL 16 -3.529 -5.708 -2.300 133 1HG2 VAL 16 1HG2 VAL 16 -2.853 -3.368 -4.132 134 2HG2 VAL 16 2HG2 VAL 16 -4.329 -2.427 -3.917 135 3HG2 VAL 16 3HG2 VAL 16 -4.422 -4.172 -4.156 136 H ALA 17 H ALA 17 -4.723 -1.932 0.277 137 HA ALA 17 HA ALA 17 -4.030 -3.685 2.377 138 1HB ALA 17 1HB ALA 17 -5.055 -0.849 2.541 139 2HB ALA 17 2HB ALA 17 -3.367 -1.333 2.371 140 3HB ALA 17 3HB ALA 17 -4.256 -1.736 3.840 141 H GLU 18 H GLU 18 -7.024 -1.834 1.816 142 HA GLU 18 HA GLU 18 -8.534 -2.860 3.900 143 1HB GLU 18 2HB GLU 18 -9.193 -1.715 1.217 144 2HB GLU 18 1HB GLU 18 -10.468 -2.340 2.239 145 1HG GLU 18 2HG GLU 18 -9.705 -0.787 4.030 146 2HG GLU 18 1HG GLU 18 -8.580 -0.092 2.863 147 H LYS 19 H LYS 19 -8.474 -3.951 0.514 148 HA LYS 19 HA LYS 19 -10.317 -6.073 0.992 149 1HB LYS 19 2HB LYS 19 -8.780 -5.033 -1.321 150 2HB LYS 19 1HB LYS 19 -9.311 -6.708 -1.415 151 1HG LYS 19 2HG LYS 19 -11.592 -6.083 -1.208 152 2HG LYS 19 1HG LYS 19 -11.167 -4.432 -0.762 153 1HD LYS 19 2HD LYS 19 -11.946 -4.519 -3.057 154 2HD LYS 19 1HD LYS 19 -10.245 -4.072 -3.002 155 1HE LYS 19 2HE LYS 19 -9.626 -6.378 -3.552 156 2HE LYS 19 1HE LYS 19 -11.335 -6.812 -3.621 157 1HZ LYS 19 1HZ LYS 19 -11.643 -5.311 -5.461 158 2HZ LYS 19 2HZ LYS 19 -10.374 -6.370 -5.823 159 3HZ LYS 19 3HZ LYS 19 -10.037 -4.772 -5.357 160 H GLY 20 H GLY 20 -6.835 -5.820 0.977 161 1HA GLY 20 2HA GLY 20 -6.276 -8.598 0.860 162 2HA GLY 20 1HA GLY 20 -5.212 -7.360 1.515 163 H ALA 21 H ALA 21 -6.588 -6.365 3.607 164 HA ALA 21 HA ALA 21 -6.287 -8.305 5.621 165 1HB ALA 21 1HB ALA 21 -7.269 -6.646 7.114 166 2HB ALA 21 2HB ALA 21 -7.815 -5.707 5.724 167 3HB ALA 21 3HB ALA 21 -6.090 -5.902 6.033 168 H ASP 22 H ASP 22 -9.127 -7.069 3.932 169 HA ASP 22 HA ASP 22 -11.078 -8.471 5.402 170 1HB ASP 22 2HB ASP 22 -11.659 -6.612 3.930 171 2HB ASP 22 1HB ASP 22 -11.125 -7.530 2.525 172 H ARG 23 H ARG 23 -9.277 -9.298 2.487 173 HA ARG 23 HA ARG 23 -10.516 -11.759 1.913 174 1HB ARG 23 2HB ARG 23 -9.013 -10.413 0.420 175 2HB ARG 23 1HB ARG 23 -7.652 -10.952 1.385 176 1HG ARG 23 2HG ARG 23 -8.035 -13.243 0.707 177 2HG ARG 23 1HG ARG 23 -9.477 -12.756 -0.194 178 1HD ARG 23 2HD ARG 23 -8.114 -11.332 -1.627 179 2HD ARG 23 1HD ARG 23 -6.674 -11.771 -0.716 180 HE ARG 23 HE ARG 23 -8.030 -14.029 -1.858 181 1HH1 ARG 23 1HH1 ARG 23 -5.790 -11.418 -2.539 182 2HH1 ARG 23 2HH1 ARG 23 -4.966 -12.292 -3.799 183 1HH2 ARG 23 1HH2 ARG 23 -6.932 -15.168 -3.543 184 2HH2 ARG 23 2HH2 ARG 23 -5.600 -14.407 -4.354 185 H TYR 24 H TYR 24 -7.797 -10.898 3.974 186 HA TYR 24 HA TYR 24 -7.123 -13.566 4.706 187 1HB TYR 24 2HB TYR 24 -5.538 -11.681 4.895 188 2HB TYR 24 1HB TYR 24 -6.549 -10.967 6.147 189 HD1 TYR 24 1HD TYR 24 -5.622 -11.160 8.245 190 HD2 TYR 24 2HD TYR 24 -5.155 -14.380 5.503 191 HE1 TYR 24 1HE TYR 24 -4.403 -12.435 9.960 192 HE2 TYR 24 2HE TYR 24 -3.933 -15.662 7.206 193 HH TYR 24 HH TYR 24 -3.642 -14.504 10.526 194 H GLN 25 H GLN 25 -9.291 -11.114 5.999 195 HA GLN 25 HA GLN 25 -9.937 -12.556 8.383 196 1HB GLN 25 2HB GLN 25 -10.223 -10.098 8.166 197 2HB GLN 25 1HB GLN 25 -11.515 -10.371 7.005 198 1HG GLN 25 2HG GLN 25 -12.844 -11.477 8.690 199 2HG GLN 25 1HG GLN 25 -11.536 -11.315 9.860 200 1HE2 GLN 25 1HE2 GLN 25 -11.142 -9.337 10.808 201 2HE2 GLN 25 2HE2 GLN 25 -12.253 -8.012 10.691 202 H GLU 26 H GLU 26 -11.159 -12.509 5.107 203 HA GLU 26 HA GLU 26 -13.460 -14.083 5.438 204 1HB GLU 26 2HB GLU 26 -11.469 -13.886 3.173 205 2HB GLU 26 1HB GLU 26 -12.920 -14.873 3.074 206 1HG GLU 26 2HG GLU 26 -12.879 -11.902 3.547 207 2HG GLU 26 1HG GLU 26 -13.157 -12.683 1.992 208 H GLY 27 H GLY 27 -10.055 -14.927 5.071 209 1HA GLY 27 2HA GLY 27 -8.999 -16.721 6.146 210 2HA GLY 27 1HA GLY 27 -10.576 -17.413 6.495 211 H LYS 28 H LYS 28 -8.491 -16.646 3.723 212 HA LYS 28 HA LYS 28 -7.943 -17.798 1.840 213 1HB LYS 28 2HB LYS 28 -7.337 -19.471 3.690 214 2HB LYS 28 1HB LYS 28 -8.831 -20.295 3.280 215 1HG LYS 28 2HG LYS 28 -8.038 -20.739 1.055 216 2HG LYS 28 1HG LYS 28 -6.585 -19.779 1.347 217 1HD LYS 28 2HD LYS 28 -5.947 -21.351 3.146 218 2HD LYS 28 1HD LYS 28 -7.366 -22.328 2.761 219 1HE LYS 28 2HE LYS 28 -6.501 -22.717 0.514 220 2HE LYS 28 1HE LYS 28 -5.101 -21.702 0.866 221 1HZ LYS 28 1HZ LYS 28 -4.594 -24.064 1.079 222 2HZ LYS 28 2HZ LYS 28 -5.789 -24.229 2.274 223 3HZ LYS 28 3HZ LYS 28 -4.423 -23.265 2.569 224 H ASN 29 H ASN 29 -10.257 -16.580 1.639 225 HA ASN 29 HA ASN 29 -12.114 -18.507 0.407 226 1HB ASN 29 2HB ASN 29 -12.976 -17.613 2.560 227 2HB ASN 29 1HB ASN 29 -12.836 -15.980 1.920 228 1HD2 ASN 29 1HD2 ASN 29 -14.984 -15.474 2.036 229 2HD2 ASN 29 2HD2 ASN 29 -16.195 -16.239 1.064 230 H SER 30 H SER 30 -13.517 -17.513 -1.261 231 HA SER 30 HA SER 30 -13.913 -16.346 -3.155 232 1HB SER 30 2HB SER 30 -12.301 -14.175 -1.788 233 2HB SER 30 1HB SER 30 -13.310 -13.951 -3.218 234 HG SER 30 HG SER 30 -14.254 -13.457 -1.045 235 H ASN 31 H ASN 31 -11.399 -17.943 -2.724 236 HA ASN 31 HA ASN 31 -9.930 -16.939 -5.071 237 1HB ASN 31 2HB ASN 31 -8.588 -16.677 -3.006 238 2HB ASN 31 1HB ASN 31 -8.777 -18.394 -2.673 239 1HD2 ASN 31 1HD2 ASN 31 -7.658 -19.892 -3.951 240 2HD2 ASN 31 2HD2 ASN 31 -6.319 -19.426 -4.944 241 H HIS 32 H HIS 32 -9.650 -18.385 -6.699 242 HA HIS 32 HA HIS 32 -11.028 -20.915 -6.451 243 1HB HIS 32 2HB HIS 32 -9.600 -19.644 -8.795 244 2HB HIS 32 1HB HIS 32 -10.463 -21.178 -8.876 245 HD1 HIS 32 1HD HIS 32 -10.959 -17.515 -8.887 246 HD2 HIS 32 2HD HIS 32 -13.296 -20.943 -8.641 247 HE1 HIS 32 1HE HIS 32 -13.321 -16.754 -9.304 248 HE2 HIS 32 2HE HIS 32 -14.727 -18.805 -8.890 249 H SER 33 H SER 33 -7.926 -20.358 -8.070 250 HA SER 33 HA SER 33 -6.956 -22.850 -6.896 251 1HB SER 33 2HB SER 33 -5.826 -21.204 -9.176 252 2HB SER 33 1HB SER 33 -5.248 -22.789 -8.659 253 HG SER 33 HG SER 33 -6.776 -22.733 -10.498 254 H TYR 34 H TYR 34 -5.362 -22.921 -5.452 255 HA TYR 34 HA TYR 34 -4.206 -20.389 -4.550 256 1HB TYR 34 2HB TYR 34 -5.297 -22.256 -3.055 257 2HB TYR 34 1HB TYR 34 -3.725 -23.032 -3.213 258 HD1 TYR 34 1HD TYR 34 -2.098 -22.543 -1.630 259 HD2 TYR 34 2HD TYR 34 -5.211 -19.727 -2.321 260 HE1 TYR 34 1HE TYR 34 -1.255 -21.161 0.224 261 HE2 TYR 34 2HE TYR 34 -4.375 -18.337 -0.477 262 HH TYR 34 HH TYR 34 -1.337 -18.885 1.028 263 H ASP 35 H ASP 35 -3.522 -22.301 -6.907 264 HA ASP 35 HA ASP 35 -0.933 -23.288 -6.634 265 1HB ASP 35 2HB ASP 35 -2.389 -23.841 -8.522 266 2HB ASP 35 1HB ASP 35 -2.312 -22.177 -9.088 267 H PHE 36 H PHE 36 1.082 -22.452 -7.118 268 HA PHE 36 HA PHE 36 1.644 -19.916 -6.184 269 1HB PHE 36 2HB PHE 36 3.274 -21.781 -6.324 270 2HB PHE 36 1HB PHE 36 3.346 -21.560 -8.068 271 HD1 PHE 36 1HD PHE 36 4.772 -19.962 -9.026 272 HD2 PHE 36 2HD PHE 36 4.033 -19.905 -4.833 273 HE1 PHE 36 1HE PHE 36 6.561 -18.300 -8.737 274 HE2 PHE 36 2HE PHE 36 5.816 -18.233 -4.538 275 HZ PHE 36 HZ PHE 36 7.083 -17.431 -6.494 276 H PHE 37 H PHE 37 1.530 -20.983 -9.599 277 HA PHE 37 HA PHE 37 2.094 -18.276 -10.469 278 1HB PHE 37 2HB PHE 37 1.530 -20.801 -12.029 279 2HB PHE 37 1HB PHE 37 1.952 -19.253 -12.754 280 HD1 PHE 37 1HD PHE 37 3.175 -22.194 -11.027 281 HD2 PHE 37 2HD PHE 37 4.209 -18.313 -12.439 282 HE1 PHE 37 1HE PHE 37 5.560 -22.755 -10.817 283 HE2 PHE 37 2HE PHE 37 6.597 -18.868 -12.224 284 HZ PHE 37 HZ PHE 37 7.273 -21.092 -11.412 285 H GLU 38 H GLU 38 -0.639 -20.186 -9.803 286 HA GLU 38 HA GLU 38 -2.386 -18.800 -11.629 287 1HB GLU 38 2HB GLU 38 -2.823 -20.928 -9.558 288 2HB GLU 38 1HB GLU 38 -4.170 -20.132 -10.362 289 1HG GLU 38 2HG GLU 38 -1.948 -21.557 -11.805 290 2HG GLU 38 1HG GLU 38 -3.493 -22.294 -11.384 291 H THR 39 H THR 39 -1.342 -18.316 -8.368 292 HA THR 39 HA THR 39 -3.347 -16.171 -8.199 293 HB THR 39 HB THR 39 -3.895 -18.131 -6.698 294 HG1 THR 39 1HG THR 39 -4.883 -16.688 -5.530 295 1HG2 THR 39 1HG2 THR 39 -1.681 -18.731 -5.928 296 2HG2 THR 39 2HG2 THR 39 -2.673 -18.254 -4.550 297 3HG2 THR 39 3HG2 THR 39 -1.470 -17.141 -5.200 298 H ILE 40 H ILE 40 -0.047 -17.143 -7.726 299 HA ILE 40 HA ILE 40 0.552 -14.466 -6.654 300 HB ILE 40 HB ILE 40 2.259 -16.946 -6.386 301 1HG1 ILE 40 2HG1 ILE 40 0.570 -15.556 -4.291 302 2HG1 ILE 40 1HG1 ILE 40 0.141 -17.066 -5.083 303 1HG2 ILE 40 1HG2 ILE 40 2.520 -14.222 -5.117 304 2HG2 ILE 40 2HG2 ILE 40 3.548 -14.874 -6.393 305 3HG2 ILE 40 3HG2 ILE 40 3.553 -15.613 -4.791 306 1HD1 ILE 40 1HD1 ILE 40 2.140 -18.121 -4.129 307 2HD1 ILE 40 2HD1 ILE 40 1.051 -17.494 -2.891 308 3HD1 ILE 40 3HD1 ILE 40 2.520 -16.610 -3.303 309 H LYS 41 H LYS 41 0.569 -13.593 -8.790 310 HA LYS 41 HA LYS 41 3.219 -13.481 -9.792 311 1HB LYS 41 2HB LYS 41 2.656 -15.471 -11.018 312 2HB LYS 41 1HB LYS 41 1.156 -14.764 -11.588 313 1HG LYS 41 2HG LYS 41 2.451 -13.104 -12.868 314 2HG LYS 41 1HG LYS 41 3.940 -13.884 -12.329 315 1HD LYS 41 2HD LYS 41 3.310 -15.934 -13.454 316 2HD LYS 41 1HD LYS 41 1.751 -15.242 -13.903 317 1HE LYS 41 2HE LYS 41 3.236 -15.159 -15.801 318 2HE LYS 41 1HE LYS 41 2.933 -13.522 -15.226 319 1HZ LYS 41 1HZ LYS 41 5.079 -13.565 -14.095 320 2HZ LYS 41 2HZ LYS 41 5.256 -13.849 -15.757 321 3HZ LYS 41 3HZ LYS 41 5.366 -15.138 -14.664 322 HA PRO 42 HA PRO 42 0.541 -10.346 -12.311 323 1HB PRO 42 2HB PRO 42 -2.122 -10.489 -11.046 324 2HB PRO 42 1HB PRO 42 -1.691 -10.434 -12.759 325 1HG PRO 42 2HG PRO 42 -2.635 -12.670 -11.628 326 2HG PRO 42 1HG PRO 42 -1.391 -12.722 -12.892 327 1HD PRO 42 2HD PRO 42 -1.089 -12.989 -9.920 328 2HD PRO 42 1HD PRO 42 -0.317 -13.922 -11.216 329 H ALA 43 H ALA 43 -0.866 -10.773 -9.069 330 HA ALA 43 HA ALA 43 -0.957 -8.103 -8.322 331 1HB ALA 43 1HB ALA 43 -1.076 -8.911 -6.019 332 2HB ALA 43 2HB ALA 43 -0.520 -10.501 -6.545 333 3HB ALA 43 3HB ALA 43 -2.080 -9.889 -7.090 334 H VAL 44 H VAL 44 1.673 -10.446 -8.049 335 HA VAL 44 HA VAL 44 3.410 -8.934 -6.459 336 HB VAL 44 HB VAL 44 4.168 -10.921 -8.609 337 1HG1 VAL 44 1HG1 VAL 44 5.684 -10.010 -6.166 338 2HG1 VAL 44 2HG1 VAL 44 6.055 -9.573 -7.833 339 3HG1 VAL 44 3HG1 VAL 44 6.207 -11.249 -7.306 340 1HG2 VAL 44 1HG2 VAL 44 4.206 -12.573 -6.771 341 2HG2 VAL 44 2HG2 VAL 44 2.593 -11.924 -7.071 342 3HG2 VAL 44 3HG2 VAL 44 3.532 -11.351 -5.692 343 H GLU 45 H GLU 45 3.134 -9.171 -9.995 344 HA GLU 45 HA GLU 45 5.246 -7.362 -10.528 345 1HB GLU 45 2HB GLU 45 2.961 -8.386 -12.198 346 2HB GLU 45 1HB GLU 45 4.205 -7.321 -12.826 347 1HG GLU 45 2HG GLU 45 5.898 -9.024 -12.135 348 2HG GLU 45 1HG GLU 45 4.557 -10.099 -11.739 349 H GLU 46 H GLU 46 1.735 -6.984 -10.290 350 HA GLU 46 HA GLU 46 1.627 -4.280 -11.043 351 1HB GLU 46 2HB GLU 46 -0.141 -6.224 -9.740 352 2HB GLU 46 1HB GLU 46 -0.424 -4.569 -9.262 353 1HG GLU 46 2HG GLU 46 -1.880 -4.986 -11.053 354 2HG GLU 46 1HG GLU 46 -0.579 -3.997 -11.706 355 H ASN 47 H ASN 47 1.898 -5.807 -7.839 356 HA ASN 47 HA ASN 47 1.791 -3.391 -6.374 357 1HB ASN 47 2HB ASN 47 2.859 -6.118 -5.632 358 2HB ASN 47 1HB ASN 47 2.760 -4.777 -4.497 359 1HD2 ASN 47 1HD2 ASN 47 0.243 -3.806 -5.686 360 2HD2 ASN 47 2HD2 ASN 47 -0.977 -4.893 -5.134 361 H ASP 48 H ASP 48 4.478 -5.249 -7.695 362 HA ASP 48 HA ASP 48 6.614 -3.997 -6.454 363 1HB ASP 48 2HB ASP 48 7.027 -5.905 -7.833 364 2HB ASP 48 1HB ASP 48 6.356 -5.104 -9.252 365 H GLU 49 H GLU 49 5.218 -3.116 -9.622 366 HA GLU 49 HA GLU 49 6.704 -0.685 -9.751 367 1HB GLU 49 2HB GLU 49 4.340 -1.659 -11.352 368 2HB GLU 49 1HB GLU 49 5.193 -0.158 -11.680 369 1HG GLU 49 2HG GLU 49 7.278 -1.522 -11.955 370 2HG GLU 49 1HG GLU 49 6.256 -2.959 -11.878 371 H LEU 50 H LEU 50 3.580 -1.580 -8.505 372 HA LEU 50 HA LEU 50 2.352 0.943 -8.405 373 1HB LEU 50 2HB LEU 50 1.412 -1.399 -7.839 374 2HB LEU 50 1HB LEU 50 2.075 -1.132 -6.240 375 HG LEU 50 HG LEU 50 0.686 0.991 -6.154 376 1HD1 LEU 50 1HD1 LEU 50 0.270 1.188 -8.549 377 2HD1 LEU 50 2HD1 LEU 50 -1.242 1.089 -7.647 378 3HD1 LEU 50 3HD1 LEU 50 -0.643 -0.322 -8.524 379 1HD2 LEU 50 1HD2 LEU 50 0.100 -1.044 -4.939 380 2HD2 LEU 50 2HD2 LEU 50 -0.748 -1.657 -6.358 381 3HD2 LEU 50 3HD2 LEU 50 -1.340 -0.217 -5.529 382 H ALA 51 H ALA 51 4.257 -0.767 -5.935 383 HA ALA 51 HA ALA 51 4.321 1.389 -4.102 384 1HB ALA 51 1HB ALA 51 6.235 -0.924 -4.362 385 2HB ALA 51 2HB ALA 51 4.725 -0.935 -3.448 386 3HB ALA 51 3HB ALA 51 6.049 0.122 -2.954 387 H ALA 52 H ALA 52 6.525 0.339 -6.661 388 HA ALA 52 HA ALA 52 8.625 2.121 -6.068 389 1HB ALA 52 1HB ALA 52 8.914 0.170 -7.506 390 2HB ALA 52 2HB ALA 52 9.422 1.649 -8.321 391 3HB ALA 52 3HB ALA 52 7.872 0.910 -8.722 392 H ARG 53 H ARG 53 5.802 2.429 -8.200 393 HA ARG 53 HA ARG 53 6.555 4.999 -9.174 394 1HB ARG 53 2HB ARG 53 4.415 3.072 -9.569 395 2HB ARG 53 1HB ARG 53 3.824 4.719 -9.565 396 1HG ARG 53 2HG ARG 53 6.054 3.672 -11.292 397 2HG ARG 53 1HG ARG 53 4.389 3.926 -11.815 398 1HD ARG 53 2HD ARG 53 6.151 6.109 -10.712 399 2HD ARG 53 1HD ARG 53 5.991 5.755 -12.433 400 HE ARG 53 HE ARG 53 3.429 6.088 -11.654 401 1HH1 ARG 53 1HH1 ARG 53 6.299 8.050 -11.165 402 2HH1 ARG 53 2HH1 ARG 53 5.420 9.551 -11.254 403 1HH2 ARG 53 1HH2 ARG 53 2.287 8.041 -11.739 404 2HH2 ARG 53 2HH2 ARG 53 3.138 9.546 -11.549 405 H TRP 54 H TRP 54 4.518 3.799 -6.575 406 HA TRP 54 HA TRP 54 3.373 6.278 -5.845 407 1HB TRP 54 2HB TRP 54 2.517 4.079 -5.072 408 2HB TRP 54 1HB TRP 54 3.957 3.887 -4.077 409 HD1 TRP 54 HD TRP 54 0.760 6.005 -4.324 410 HE1 TRP 54 1HE TRP 54 0.279 7.035 -2.019 411 HE3 TRP 54 3HE TRP 54 5.009 4.539 -1.884 412 HZ2 TRP 54 2HZ TRP 54 1.530 7.188 0.504 413 HZ3 TRP 54 3HZ TRP 54 5.281 5.166 0.480 414 HH2 TRP 54 HH TRP 54 3.576 6.463 1.645 415 H ALA 55 H ALA 55 6.214 4.518 -4.629 416 HA ALA 55 HA ALA 55 7.028 6.399 -2.731 417 1HB ALA 55 1HB ALA 55 8.755 4.516 -4.336 418 2HB ALA 55 2HB ALA 55 7.910 4.116 -2.840 419 3HB ALA 55 3HB ALA 55 9.206 5.311 -2.828 420 H GLU 56 H GLU 56 7.869 6.091 -6.167 421 HA GLU 56 HA GLU 56 9.737 8.065 -6.415 422 1HB GLU 56 2HB GLU 56 9.131 6.380 -8.091 423 2HB GLU 56 1HB GLU 56 7.561 7.142 -8.300 424 1HG GLU 56 2HG GLU 56 8.646 9.136 -9.097 425 2HG GLU 56 1HG GLU 56 10.209 8.358 -8.910 426 H GLY 57 H GLY 57 6.190 8.292 -6.729 427 1HA GLY 57 2HA GLY 57 6.198 11.099 -7.244 428 2HA GLY 57 1HA GLY 57 4.797 10.126 -6.823 429 H ALA 58 H ALA 58 5.638 9.161 -4.325 430 HA ALA 58 HA ALA 58 4.908 11.303 -2.646 431 1HB ALA 58 1HB ALA 58 5.379 9.782 -0.801 432 2HB ALA 58 2HB ALA 58 6.221 8.693 -1.902 433 3HB ALA 58 3HB ALA 58 4.488 8.962 -2.084 434 H LEU 59 H LEU 59 8.048 9.827 -3.357 435 HA LEU 59 HA LEU 59 9.604 11.300 -1.567 436 1HB LEU 59 2HB LEU 59 10.129 9.883 -4.149 437 2HB LEU 59 1HB LEU 59 11.396 10.801 -3.386 438 HG LEU 59 HG LEU 59 9.933 8.473 -2.149 439 1HD1 LEU 59 1HD1 LEU 59 11.423 7.785 -3.949 440 2HD1 LEU 59 2HD1 LEU 59 12.065 7.297 -2.380 441 3HD1 LEU 59 3HD1 LEU 59 12.748 8.691 -3.215 442 1HD2 LEU 59 1HD2 LEU 59 11.581 8.640 -0.357 443 2HD2 LEU 59 2HD2 LEU 59 10.632 10.122 -0.484 444 3HD2 LEU 59 3HD2 LEU 59 12.277 10.071 -1.117 445 H GLU 60 H GLU 60 8.628 11.935 -4.900 446 HA GLU 60 HA GLU 60 10.080 14.320 -5.267 447 1HB GLU 60 2HB GLU 60 8.818 12.890 -7.008 448 2HB GLU 60 1HB GLU 60 7.382 13.770 -6.502 449 1HG GLU 60 2HG GLU 60 8.224 14.843 -8.439 450 2HG GLU 60 1HG GLU 60 8.580 15.892 -7.066 451 H LEU 61 H LEU 61 6.800 13.690 -4.093 452 HA LEU 61 HA LEU 61 5.975 16.351 -3.834 453 1HB LEU 61 2HB LEU 61 4.443 14.437 -3.780 454 2HB LEU 61 1HB LEU 61 5.109 13.940 -2.236 455 HG LEU 61 HG LEU 61 4.273 16.047 -1.228 456 1HD1 LEU 61 1HD1 LEU 61 2.690 17.427 -2.470 457 2HD1 LEU 61 2HD1 LEU 61 2.960 16.450 -3.914 458 3HD1 LEU 61 3HD1 LEU 61 4.273 17.422 -3.248 459 1HD2 LEU 61 1HD2 LEU 61 2.187 14.386 -2.634 460 2HD2 LEU 61 2HD2 LEU 61 1.913 15.417 -1.230 461 3HD2 LEU 61 3HD2 LEU 61 2.956 14.002 -1.094 462 H ILE 62 H ILE 62 7.434 14.170 -1.413 463 HA ILE 62 HA ILE 62 7.231 16.100 0.666 464 HB ILE 62 HB ILE 62 8.643 14.597 2.003 465 1HG1 ILE 62 2HG1 ILE 62 8.785 12.927 -0.518 466 2HG1 ILE 62 1HG1 ILE 62 10.129 13.808 0.200 467 1HG2 ILE 62 1HG2 ILE 62 7.097 12.707 2.045 468 2HG2 ILE 62 2HG2 ILE 62 6.457 13.191 0.472 469 3HG2 ILE 62 3HG2 ILE 62 6.240 14.238 1.876 470 1HD1 ILE 62 1HD1 ILE 62 10.233 11.440 0.719 471 2HD1 ILE 62 2HD1 ILE 62 8.642 11.526 1.474 472 3HD1 ILE 62 3HD1 ILE 62 10.003 12.397 2.183 473 H LYS 63 H LYS 63 9.660 15.507 -1.769 474 HA LYS 63 HA LYS 63 11.668 16.971 -0.294 475 1HB LYS 63 2HB LYS 63 13.137 16.624 -2.154 476 2HB LYS 63 1HB LYS 63 12.293 15.122 -1.827 477 1HG LYS 63 2HG LYS 63 12.075 15.108 -4.059 478 2HG LYS 63 1HG LYS 63 10.679 16.124 -3.707 479 1HD LYS 63 2HD LYS 63 11.800 17.262 -5.414 480 2HD LYS 63 1HD LYS 63 12.299 18.101 -3.946 481 1HE LYS 63 2HE LYS 63 13.909 15.914 -5.255 482 2HE LYS 63 1HE LYS 63 14.132 17.625 -5.602 483 1HZ LYS 63 1HZ LYS 63 14.510 16.292 -2.973 484 2HZ LYS 63 2HZ LYS 63 14.628 17.966 -3.230 485 3HZ LYS 63 3HZ LYS 63 15.728 16.912 -3.974 486 H VAL 64 H VAL 64 9.121 17.712 -2.471 487 HA VAL 64 HA VAL 64 10.213 20.373 -3.009 488 HB VAL 64 HB VAL 64 7.681 19.061 -4.009 489 1HG1 VAL 64 1HG1 VAL 64 7.504 20.970 -5.542 490 2HG1 VAL 64 2HG1 VAL 64 8.881 21.732 -4.746 491 3HG1 VAL 64 3HG1 VAL 64 7.380 21.476 -3.857 492 1HG2 VAL 64 1HG2 VAL 64 9.716 18.092 -4.933 493 2HG2 VAL 64 2HG2 VAL 64 10.275 19.696 -5.408 494 3HG2 VAL 64 3HG2 VAL 64 8.838 19.004 -6.160 495 H ARG 65 H ARG 65 7.265 18.938 -1.603 496 HA ARG 65 HA ARG 65 6.423 21.559 -0.646 497 1HB ARG 65 2HB ARG 65 4.741 20.271 -1.756 498 2HB ARG 65 1HB ARG 65 5.072 18.861 -0.762 499 1HG ARG 65 2HG ARG 65 4.138 19.956 1.175 500 2HG ARG 65 1HG ARG 65 3.912 21.446 0.259 501 1HD ARG 65 2HD ARG 65 2.175 20.557 -0.999 502 2HD ARG 65 1HD ARG 65 2.656 18.892 -0.668 503 HE ARG 65 HE ARG 65 1.626 19.012 1.429 504 1HH1 ARG 65 1HH1 ARG 65 1.344 22.056 -0.308 505 2HH1 ARG 65 2HH1 ARG 65 0.034 22.628 0.674 506 1HH2 ARG 65 1HH2 ARG 65 -0.095 19.741 2.684 507 2HH2 ARG 65 2HH2 ARG 65 -0.777 21.320 2.404 508 H ARG 66 H ARG 66 8.307 19.115 0.528 509 HA ARG 66 HA ARG 66 9.244 18.723 2.566 510 1HB ARG 66 2HB ARG 66 7.384 20.921 3.443 511 2HB ARG 66 1HB ARG 66 8.346 20.010 4.596 512 1HG ARG 66 2HG ARG 66 10.387 20.759 3.518 513 2HG ARG 66 1HG ARG 66 9.441 21.626 2.304 514 1HD ARG 66 2HD ARG 66 8.660 23.191 3.856 515 2HD ARG 66 1HD ARG 66 9.088 22.173 5.231 516 HE ARG 66 HE ARG 66 11.465 22.718 3.966 517 1HH1 ARG 66 1HH1 ARG 66 8.896 24.674 5.336 518 2HH1 ARG 66 2HH1 ARG 66 9.975 25.916 5.900 519 1HH2 ARG 66 1HH2 ARG 66 12.872 24.354 4.666 520 2HH2 ARG 66 2HH2 ARG 66 12.246 25.741 5.501 521 HA PRO 67 HA PRO 67 6.506 15.630 4.219 522 1HB PRO 67 2HB PRO 67 8.177 15.543 6.623 523 2HB PRO 67 1HB PRO 67 7.948 14.312 5.379 524 1HG PRO 67 2HG PRO 67 10.270 15.661 5.664 525 2HG PRO 67 1HG PRO 67 9.680 15.102 4.086 526 1HD PRO 67 2HD PRO 67 9.544 17.840 5.305 527 2HD PRO 67 1HD PRO 67 9.934 17.367 3.635 528 H LYS 68 H LYS 68 4.720 17.008 4.610 529 HA LYS 68 HA LYS 68 4.648 18.632 6.991 530 1HB LYS 68 2HB LYS 68 3.599 19.225 4.754 531 2HB LYS 68 1HB LYS 68 2.358 18.036 5.124 532 1HG LYS 68 2HG LYS 68 1.670 19.277 7.063 533 2HG LYS 68 1HG LYS 68 3.003 20.412 6.851 534 1HD LYS 68 2HD LYS 68 2.018 20.979 4.601 535 2HD LYS 68 1HD LYS 68 0.605 20.027 5.070 536 1HE LYS 68 2HE LYS 68 1.686 22.391 6.604 537 2HE LYS 68 1HE LYS 68 0.331 22.455 5.476 538 1HZ LYS 68 1HZ LYS 68 -0.994 21.189 6.880 539 2HZ LYS 68 2HZ LYS 68 -0.183 22.225 7.944 540 3HZ LYS 68 3HZ LYS 68 0.314 20.612 7.788 541 H TYR 69 H TYR 69 2.522 16.035 5.774 542 HA TYR 69 HA TYR 69 1.747 15.421 8.525 543 1HB TYR 69 2HB TYR 69 0.728 14.382 5.874 544 2HB TYR 69 1HB TYR 69 0.141 13.828 7.436 545 HD1 TYR 69 1HD TYR 69 0.487 16.870 5.336 546 HD2 TYR 69 2HD TYR 69 -1.628 14.945 8.483 547 HE1 TYR 69 1HE TYR 69 -1.183 18.667 5.307 548 HE2 TYR 69 2HE TYR 69 -3.309 16.740 8.458 549 HH TYR 69 HH TYR 69 -3.613 18.909 5.937 550 H VAL 70 H VAL 70 2.884 13.689 5.655 551 HA VAL 70 HA VAL 70 3.594 11.377 7.249 552 HB VAL 70 HB VAL 70 2.474 11.087 5.072 553 1HG1 VAL 70 1HG1 VAL 70 5.000 12.250 3.910 554 2HG1 VAL 70 2HG1 VAL 70 3.394 12.979 3.873 555 3HG1 VAL 70 3HG1 VAL 70 3.706 11.488 2.986 556 1HG2 VAL 70 1HG2 VAL 70 3.997 9.386 4.144 557 2HG2 VAL 70 2HG2 VAL 70 3.820 9.272 5.896 558 3HG2 VAL 70 3HG2 VAL 70 5.273 9.990 5.201 559 H HIS 71 H HIS 71 5.719 10.494 7.316 560 HA HIS 71 HA HIS 71 7.809 12.532 6.974 561 1HB HIS 71 2HB HIS 71 7.577 10.156 8.812 562 2HB HIS 71 1HB HIS 71 9.127 10.931 8.505 563 HD1 HIS 71 1HD HIS 71 5.983 11.303 10.433 564 HD2 HIS 71 2HD HIS 71 9.335 13.590 9.501 565 HE1 HIS 71 1HE HIS 71 5.960 13.240 12.042 566 HE2 HIS 71 2HE HIS 71 8.085 14.515 11.567 567 H LYS 72 H LYS 72 9.914 11.811 6.198 568 HA LYS 72 HA LYS 72 9.734 10.440 3.765 569 1HB LYS 72 2HB LYS 72 11.511 12.021 4.153 570 2HB LYS 72 1HB LYS 72 12.126 11.074 5.498 571 1HG LYS 72 2HG LYS 72 12.825 9.316 3.995 572 2HG LYS 72 1HG LYS 72 12.111 10.166 2.623 573 1HD LYS 72 2HD LYS 72 13.676 11.989 2.890 574 2HD LYS 72 1HD LYS 72 14.330 11.255 4.355 575 1HE LYS 72 2HE LYS 72 14.423 9.992 1.616 576 2HE LYS 72 1HE LYS 72 15.744 10.910 2.338 577 1HZ LYS 72 1HZ LYS 72 15.778 9.289 4.165 578 2HZ LYS 72 2HZ LYS 72 16.099 8.564 2.667 579 3HZ LYS 72 3HZ LYS 72 14.574 8.381 3.391 580 H GLU 73 H GLU 73 10.746 9.336 6.949 581 HA GLU 73 HA GLU 73 11.695 6.798 6.249 582 1HB GLU 73 2HB GLU 73 10.347 7.654 8.815 583 2HB GLU 73 1HB GLU 73 11.359 6.231 8.607 584 1HG GLU 73 2HG GLU 73 13.273 7.651 8.112 585 2HG GLU 73 1HG GLU 73 12.262 9.086 8.282 586 H GLN 74 H GLN 74 8.455 8.016 6.660 587 HA GLN 74 HA GLN 74 7.171 5.515 7.014 588 1HB GLN 74 2HB GLN 74 6.179 8.223 6.142 589 2HB GLN 74 1HB GLN 74 5.113 6.836 6.281 590 1HG GLN 74 2HG GLN 74 6.724 8.080 8.499 591 2HG GLN 74 1HG GLN 74 4.982 8.210 8.261 592 1HE2 GLN 74 1HE2 GLN 74 6.417 7.186 10.566 593 2HE2 GLN 74 2HE2 GLN 74 5.897 5.552 10.774 594 H ILE 75 H ILE 75 7.752 7.555 4.150 595 HA ILE 75 HA ILE 75 6.415 5.953 2.281 596 HB ILE 75 HB ILE 75 8.785 7.798 1.949 597 1HG1 ILE 75 2HG1 ILE 75 6.998 9.061 0.578 598 2HG1 ILE 75 1HG1 ILE 75 5.836 8.002 1.365 599 1HG2 ILE 75 1HG2 ILE 75 8.467 7.624 -0.490 600 2HG2 ILE 75 2HG2 ILE 75 7.315 6.316 -0.224 601 3HG2 ILE 75 3HG2 ILE 75 9.003 6.107 0.236 602 1HD1 ILE 75 1HD1 ILE 75 7.707 9.919 2.735 603 2HD1 ILE 75 2HD1 ILE 75 6.568 8.845 3.545 604 3HD1 ILE 75 3HD1 ILE 75 5.974 10.133 2.497 605 H GLU 76 H GLU 76 9.743 5.845 3.462 606 HA GLU 76 HA GLU 76 10.559 3.739 1.734 607 1HB GLU 76 2HB GLU 76 11.780 4.686 4.331 608 2HB GLU 76 1HB GLU 76 12.557 3.632 3.157 609 1HG GLU 76 2HG GLU 76 12.430 5.428 1.489 610 2HG GLU 76 1HG GLU 76 11.704 6.480 2.703 611 H ALA 77 H ALA 77 9.090 3.882 4.892 612 HA ALA 77 HA ALA 77 9.508 1.140 5.549 613 1HB ALA 77 1HB ALA 77 9.046 2.811 7.270 614 2HB ALA 77 2HB ALA 77 7.856 1.510 7.307 615 3HB ALA 77 3HB ALA 77 7.437 3.069 6.596 616 H VAL 78 H VAL 78 6.804 2.956 4.139 617 HA VAL 78 HA VAL 78 4.958 0.859 4.030 618 HB VAL 78 HB VAL 78 5.228 3.287 2.252 619 1HG1 VAL 78 1HG1 VAL 78 3.959 1.569 1.067 620 2HG1 VAL 78 2HG1 VAL 78 2.905 2.886 1.582 621 3HG1 VAL 78 3HG1 VAL 78 2.910 1.363 2.471 622 1HG2 VAL 78 1HG2 VAL 78 3.408 2.687 4.581 623 2HG2 VAL 78 2HG2 VAL 78 3.408 4.167 3.623 624 3HG2 VAL 78 3HG2 VAL 78 4.809 3.756 4.612 625 H LYS 79 H LYS 79 7.466 1.790 1.696 626 HA LYS 79 HA LYS 79 6.686 0.147 -0.424 627 1HB LYS 79 2HB LYS 79 8.483 1.890 -0.497 628 2HB LYS 79 1HB LYS 79 9.530 0.799 0.393 629 1HG LYS 79 2HG LYS 79 8.330 -0.067 -2.204 630 2HG LYS 79 1HG LYS 79 9.740 0.987 -2.186 631 1HD LYS 79 2HD LYS 79 10.967 -0.675 -0.871 632 2HD LYS 79 1HD LYS 79 9.549 -1.726 -0.868 633 1HE LYS 79 2HE LYS 79 9.655 -1.868 -3.313 634 2HE LYS 79 1HE LYS 79 11.070 -0.820 -3.312 635 1HZ LYS 79 1HZ LYS 79 12.306 -2.486 -2.127 636 2HZ LYS 79 2HZ LYS 79 11.620 -3.195 -3.506 637 3HZ LYS 79 3HZ LYS 79 10.940 -3.476 -1.983 638 H ASP 80 H ASP 80 8.791 -0.556 2.327 639 HA ASP 80 HA ASP 80 9.294 -3.264 1.539 640 1HB ASP 80 2HB ASP 80 10.881 -1.959 2.915 641 2HB ASP 80 1HB ASP 80 9.697 -1.896 4.215 642 H ASN 81 H ASN 81 7.251 -1.716 3.993 643 HA ASN 81 HA ASN 81 6.154 -3.995 5.159 644 1HB ASN 81 2HB ASN 81 5.062 -1.211 4.792 645 2HB ASN 81 1HB ASN 81 4.139 -2.461 5.616 646 1HD2 ASN 81 1HD2 ASN 81 5.197 0.052 6.621 647 2HD2 ASN 81 2HD2 ASN 81 6.199 -0.362 7.968 648 H PHE 82 H PHE 82 5.085 -2.179 2.323 649 HA PHE 82 HA PHE 82 2.620 -3.475 1.964 650 1HB PHE 82 2HB PHE 82 3.350 -1.330 0.866 651 2HB PHE 82 1HB PHE 82 4.363 -2.290 -0.205 652 HD1 PHE 82 1HD PHE 82 3.519 -2.732 -2.282 653 HD2 PHE 82 2HD PHE 82 0.820 -2.253 0.972 654 HE1 PHE 82 1HE PHE 82 1.619 -3.025 -3.819 655 HE2 PHE 82 2HE PHE 82 -1.084 -2.548 -0.557 656 HZ PHE 82 HZ PHE 82 -0.686 -2.933 -2.957 657 H LEU 83 H LEU 83 5.765 -4.081 0.413 658 HA LEU 83 HA LEU 83 4.827 -6.257 -1.129 659 1HB LEU 83 2HB LEU 83 7.563 -5.288 -0.375 660 2HB LEU 83 1HB LEU 83 7.342 -6.750 -1.317 661 HG LEU 83 HG LEU 83 6.405 -3.989 -2.112 662 1HD1 LEU 83 1HD1 LEU 83 8.831 -4.260 -2.216 663 2HD1 LEU 83 2HD1 LEU 83 8.117 -4.124 -3.824 664 3HD1 LEU 83 3HD1 LEU 83 8.624 -5.699 -3.213 665 1HD2 LEU 83 1HD2 LEU 83 5.846 -5.015 -4.255 666 2HD2 LEU 83 2HD2 LEU 83 4.914 -5.735 -2.942 667 3HD2 LEU 83 3HD2 LEU 83 6.295 -6.598 -3.621 668 H GLU 84 H GLU 84 6.453 -6.072 2.016 669 HA GLU 84 HA GLU 84 6.688 -8.847 2.431 670 1HB GLU 84 2HB GLU 84 6.628 -6.452 4.214 671 2HB GLU 84 1HB GLU 84 6.452 -8.042 4.944 672 1HG GLU 84 2HG GLU 84 8.723 -7.346 3.108 673 2HG GLU 84 1HG GLU 84 8.784 -7.076 4.848 674 H LEU 85 H LEU 85 4.117 -6.566 3.347 675 HA LEU 85 HA LEU 85 2.470 -8.264 4.774 676 1HB LEU 85 2HB LEU 85 2.244 -5.774 4.444 677 2HB LEU 85 1HB LEU 85 1.518 -6.108 2.890 678 HG LEU 85 HG LEU 85 0.312 -7.267 5.381 679 1HD1 LEU 85 1HD1 LEU 85 -0.168 -4.496 4.289 680 2HD1 LEU 85 2HD1 LEU 85 0.586 -4.890 5.834 681 3HD1 LEU 85 3HD1 LEU 85 -1.111 -5.281 5.556 682 1HD2 LEU 85 1HD2 LEU 85 -0.505 -8.035 3.199 683 2HD2 LEU 85 2HD2 LEU 85 -0.862 -6.368 2.750 684 3HD2 LEU 85 3HD2 LEU 85 -1.741 -7.131 4.075 685 H VAL 86 H VAL 86 2.432 -7.618 1.287 686 HA VAL 86 HA VAL 86 0.301 -9.277 0.593 687 HB VAL 86 HB VAL 86 2.762 -8.653 -1.052 688 1HG1 VAL 86 1HG1 VAL 86 1.545 -10.571 -1.956 689 2HG1 VAL 86 2HG1 VAL 86 1.357 -9.162 -3.000 690 3HG1 VAL 86 3HG1 VAL 86 0.045 -9.646 -1.925 691 1HG2 VAL 86 1HG2 VAL 86 0.072 -7.291 -0.925 692 2HG2 VAL 86 2HG2 VAL 86 1.371 -6.893 -2.050 693 3HG2 VAL 86 3HG2 VAL 86 1.596 -6.645 -0.317 694 H LEU 87 H LEU 87 3.780 -10.044 0.706 695 HA LEU 87 HA LEU 87 3.441 -12.733 -0.139 696 1HB LEU 87 2HB LEU 87 5.559 -11.462 -0.337 697 2HB LEU 87 1HB LEU 87 5.729 -11.516 1.407 698 HG LEU 87 HG LEU 87 5.883 -13.979 1.311 699 1HD1 LEU 87 1HD1 LEU 87 6.176 -15.090 -0.845 700 2HD1 LEU 87 2HD1 LEU 87 5.831 -13.573 -1.675 701 3HD1 LEU 87 3HD1 LEU 87 4.578 -14.356 -0.711 702 1HD2 LEU 87 1HD2 LEU 87 8.109 -14.092 0.334 703 2HD2 LEU 87 2HD2 LEU 87 7.910 -12.609 1.268 704 3HD2 LEU 87 3HD2 LEU 87 7.837 -12.560 -0.493 705 H GLN 88 H GLN 88 3.721 -11.217 3.045 706 HA GLN 88 HA GLN 88 3.964 -13.614 4.523 707 1HB GLN 88 2HB GLN 88 2.927 -10.921 5.420 708 2HB GLN 88 1HB GLN 88 3.388 -12.241 6.486 709 1HG GLN 88 2HG GLN 88 5.683 -12.097 5.708 710 2HG GLN 88 1HG GLN 88 5.231 -10.817 4.582 711 1HE2 GLN 88 1HE2 GLN 88 7.195 -10.680 6.672 712 2HE2 GLN 88 2HE2 GLN 88 6.684 -9.422 7.740 713 H SER 89 H SER 89 1.219 -11.899 3.249 714 HA SER 89 HA SER 89 -0.758 -13.177 4.835 715 1HB SER 89 2HB SER 89 -0.978 -11.890 2.103 716 2HB SER 89 1HB SER 89 -2.343 -12.365 3.114 717 HG SER 89 HG SER 89 -0.400 -10.362 3.601 718 H TYR 90 H TYR 90 0.766 -13.942 1.745 719 HA TYR 90 HA TYR 90 -0.963 -16.140 1.162 720 1HB TYR 90 2HB TYR 90 1.740 -15.385 0.044 721 2HB TYR 90 1HB TYR 90 0.769 -16.723 -0.556 722 HD1 TYR 90 1HD TYR 90 -1.933 -15.568 -0.566 723 HD2 TYR 90 2HD TYR 90 1.785 -13.829 -1.681 724 HE1 TYR 90 1HE TYR 90 -3.110 -14.045 -2.094 725 HE2 TYR 90 2HE TYR 90 0.616 -12.298 -3.210 726 HH TYR 90 HH TYR 90 -2.611 -11.703 -3.098 727 H VAL 91 H VAL 91 2.348 -15.885 2.428 728 HA VAL 91 HA VAL 91 2.513 -18.755 2.766 729 HB VAL 91 HB VAL 91 4.771 -18.372 3.604 730 1HG1 VAL 91 1HG1 VAL 91 5.734 -17.356 1.587 731 2HG1 VAL 91 2HG1 VAL 91 4.141 -16.742 1.147 732 3HG1 VAL 91 3HG1 VAL 91 4.431 -18.479 1.197 733 1HG2 VAL 91 1HG2 VAL 91 5.709 -16.087 3.666 734 2HG2 VAL 91 2HG2 VAL 91 4.436 -16.332 4.863 735 3HG2 VAL 91 3HG2 VAL 91 4.092 -15.441 3.381 736 H HIS 92 H HIS 92 1.112 -16.343 4.499 737 HA HIS 92 HA HIS 92 0.226 -16.187 6.579 738 1HB HIS 92 2HB HIS 92 0.891 -19.137 6.765 739 2HB HIS 92 1HB HIS 92 -0.241 -18.264 7.792 740 HD1 HIS 92 1HD HIS 92 -0.240 -20.437 4.999 741 HD2 HIS 92 2HD HIS 92 -2.361 -16.999 5.970 742 HE1 HIS 92 1HE HIS 92 -2.300 -20.489 3.568 743 HE2 HIS 92 2HE HIS 92 -3.442 -18.291 4.009 744 H HIS 93 H HIS 93 2.779 -15.298 6.378 745 HA HIS 93 HA HIS 93 4.447 -16.442 8.442 746 1HB HIS 93 2HB HIS 93 5.405 -15.437 6.391 747 2HB HIS 93 1HB HIS 93 4.777 -13.871 6.883 748 HD1 HIS 93 1HD HIS 93 7.275 -16.487 8.060 749 HD2 HIS 93 2HD HIS 93 6.466 -12.423 8.467 750 HE1 HIS 93 1HE HIS 93 9.249 -15.515 9.288 751 HE2 HIS 93 2HE HIS 93 8.823 -13.030 9.339 752 H ILE 94 H ILE 94 2.016 -14.053 8.214 753 HA ILE 94 HA ILE 94 2.712 -12.956 10.837 754 HB ILE 94 HB ILE 94 0.658 -11.445 10.314 755 1HG1 ILE 94 2HG1 ILE 94 0.519 -10.992 7.809 756 2HG1 ILE 94 1HG1 ILE 94 1.333 -12.531 7.572 757 1HG2 ILE 94 1HG2 ILE 94 2.112 -9.854 9.133 758 2HG2 ILE 94 2HG2 ILE 94 3.276 -11.150 8.849 759 3HG2 ILE 94 3HG2 ILE 94 2.920 -10.627 10.495 760 1HD1 ILE 94 1HD1 ILE 94 -0.521 -13.674 8.680 761 2HD1 ILE 94 2HD1 ILE 94 -1.065 -12.741 7.285 762 3HD1 ILE 94 3HD1 ILE 94 -1.327 -12.122 8.915 763 H HIS 95 H HIS 95 0.475 -12.407 12.080 764 HA HIS 95 HA HIS 95 -1.181 -14.837 12.004 765 1HB HIS 95 2HB HIS 95 0.210 -13.603 14.339 766 2HB HIS 95 1HB HIS 95 -1.366 -14.342 14.595 767 HD1 HIS 95 1HD HIS 95 0.705 -16.029 12.050 768 HD2 HIS 95 2HD HIS 95 0.053 -16.292 16.148 769 HE1 HIS 95 1HE HIS 95 1.660 -18.245 12.747 770 HE2 HIS 95 2HE HIS 95 1.028 -18.481 15.177 771 H LYS 96 H LYS 96 -1.110 -11.708 13.739 772 HA LYS 96 HA LYS 96 -3.562 -10.831 12.566 773 1HB LYS 96 2HB LYS 96 -4.443 -12.586 14.047 774 2HB LYS 96 1HB LYS 96 -3.648 -11.828 15.421 775 1HG LYS 96 2HG LYS 96 -5.043 -9.810 15.037 776 2HG LYS 96 1HG LYS 96 -5.909 -10.707 13.786 777 1HD LYS 96 2HD LYS 96 -5.710 -11.450 16.705 778 2HD LYS 96 1HD LYS 96 -7.127 -10.779 15.896 779 1HE LYS 96 2HE LYS 96 -7.234 -12.769 14.460 780 2HE LYS 96 1HE LYS 96 -5.826 -13.434 15.286 781 1HZ LYS 96 1HZ LYS 96 -7.946 -14.337 16.107 782 2HZ LYS 96 2HZ LYS 96 -8.402 -12.782 16.617 783 3HZ LYS 96 3HZ LYS 96 -7.066 -13.545 17.324 784 H LYS 97 H LYS 97 -1.768 -10.625 15.631 785 HA LYS 97 HA LYS 97 -2.547 -8.081 16.363 786 1HB LYS 97 2HB LYS 97 -1.094 -9.963 17.545 787 2HB LYS 97 1HB LYS 97 0.229 -8.932 17.016 788 1HG LYS 97 2HG LYS 97 -0.395 -8.355 19.266 789 2HG LYS 97 1HG LYS 97 -0.825 -7.032 18.178 790 1HD LYS 97 2HD LYS 97 -3.139 -7.819 18.126 791 2HD LYS 97 1HD LYS 97 -2.718 -9.151 19.203 792 1HE LYS 97 2HE LYS 97 -2.089 -7.528 20.934 793 2HE LYS 97 1HE LYS 97 -2.549 -6.211 19.853 794 1HZ LYS 97 1HZ LYS 97 -4.311 -6.722 21.422 795 2HZ LYS 97 2HZ LYS 97 -4.366 -8.326 20.875 796 3HZ LYS 97 3HZ LYS 97 -4.809 -7.064 19.835 797 H ARG 98 H ARG 98 0.525 -8.933 14.750 798 HA ARG 98 HA ARG 98 1.215 -6.161 14.485 799 1HB ARG 98 2HB ARG 98 2.505 -8.694 13.500 800 2HB ARG 98 1HB ARG 98 3.097 -7.111 13.015 801 1HG ARG 98 2HG ARG 98 4.443 -7.693 14.817 802 2HG ARG 98 1HG ARG 98 3.250 -6.603 15.517 803 1HD ARG 98 2HD ARG 98 3.484 -8.422 17.017 804 2HD ARG 98 1HD ARG 98 1.939 -8.636 16.193 805 HE ARG 98 HE ARG 98 3.587 -10.109 14.672 806 1HH1 ARG 98 1HH1 ARG 98 3.021 -10.024 18.137 807 2HH1 ARG 98 2HH1 ARG 98 3.550 -11.665 18.377 808 1HH2 ARG 98 1HH2 ARG 98 4.249 -12.276 15.013 809 2HH2 ARG 98 2HH2 ARG 98 4.232 -12.933 16.621 810 H PHE 99 H PHE 99 -0.329 -8.541 12.485 811 HA PHE 99 HA PHE 99 0.036 -7.389 9.963 812 1HB PHE 99 2HB PHE 99 -0.887 -9.643 10.302 813 2HB PHE 99 1HB PHE 99 -2.339 -8.949 11.011 814 HD1 PHE 99 1HD PHE 99 -0.359 -9.107 7.884 815 HD2 PHE 99 2HD PHE 99 -4.146 -8.332 9.662 816 HE1 PHE 99 1HE PHE 99 -1.381 -9.008 5.651 817 HE2 PHE 99 2HE PHE 99 -5.178 -8.227 7.429 818 HZ PHE 99 HZ PHE 99 -3.794 -8.566 5.420 819 H LYS 100 H LYS 100 -2.435 -6.836 12.423 820 HA LYS 100 HA LYS 100 -4.036 -5.028 10.991 821 1HB LYS 100 2HB LYS 100 -4.735 -6.137 13.076 822 2HB LYS 100 1HB LYS 100 -3.548 -5.208 13.973 823 1HG LYS 100 2HG LYS 100 -5.698 -4.232 14.309 824 2HG LYS 100 1HG LYS 100 -4.740 -3.141 13.308 825 1HD LYS 100 2HD LYS 100 -5.866 -4.003 11.309 826 2HD LYS 100 1HD LYS 100 -6.835 -5.072 12.322 827 1HE LYS 100 2HE LYS 100 -6.831 -2.058 12.385 828 2HE LYS 100 1HE LYS 100 -8.100 -3.086 11.723 829 1HZ LYS 100 1HZ LYS 100 -7.303 -2.787 14.565 830 2HZ LYS 100 2HZ LYS 100 -8.310 -4.037 14.022 831 3HZ LYS 100 3HZ LYS 100 -8.801 -2.426 13.859 832 H ASP 101 H ASP 101 -1.426 -4.445 13.312 833 HA ASP 101 HA ASP 101 -1.494 -1.632 13.230 834 1HB ASP 101 2HB ASP 101 -0.377 -3.017 14.974 835 2HB ASP 101 1HB ASP 101 0.876 -3.420 13.812 836 H ILE 102 H ILE 102 0.482 -3.959 11.410 837 HA ILE 102 HA ILE 102 1.979 -2.089 9.951 838 HB ILE 102 HB ILE 102 1.073 -4.857 9.144 839 1HG1 ILE 102 2HG1 ILE 102 3.736 -3.855 10.186 840 2HG1 ILE 102 1HG1 ILE 102 2.531 -4.721 11.142 841 1HG2 ILE 102 1HG2 ILE 102 2.791 -4.798 7.423 842 2HG2 ILE 102 2HG2 ILE 102 3.187 -3.132 7.845 843 3HG2 ILE 102 3HG2 ILE 102 1.607 -3.519 7.158 844 1HD1 ILE 102 1HD1 ILE 102 2.796 -6.665 9.672 845 2HD1 ILE 102 2HD1 ILE 102 4.306 -6.207 10.455 846 3HD1 ILE 102 3HD1 ILE 102 4.034 -5.799 8.762 847 H THR 103 H THR 103 -1.139 -3.612 9.163 848 HA THR 103 HA THR 103 -1.535 -2.330 6.698 849 HB THR 103 HB THR 103 -3.666 -3.188 8.669 850 HG1 THR 103 1HG THR 103 -2.411 -4.983 8.231 851 1HG2 THR 103 1HG2 THR 103 -4.516 -1.787 6.845 852 2HG2 THR 103 2HG2 THR 103 -5.075 -3.452 6.691 853 3HG2 THR 103 3HG2 THR 103 -3.764 -2.866 5.667 854 H GLU 104 H GLU 104 -2.471 -1.412 9.991 855 HA GLU 104 HA GLU 104 -3.798 0.979 9.340 856 1HB GLU 104 2HB GLU 104 -2.489 -0.073 11.822 857 2HB GLU 104 1HB GLU 104 -3.138 1.557 11.788 858 1HG GLU 104 2HG GLU 104 -5.330 0.600 11.099 859 2HG GLU 104 1HG GLU 104 -4.640 -1.006 11.328 860 H SER 105 H SER 105 -0.390 0.294 9.985 861 HA SER 105 HA SER 105 0.466 2.992 10.043 862 1HB SER 105 2HB SER 105 2.032 0.522 9.255 863 2HB SER 105 1HB SER 105 2.718 2.086 9.698 864 HG SER 105 HG SER 105 1.083 0.482 11.391 865 H VAL 106 H VAL 106 0.185 0.627 7.412 866 HA VAL 106 HA VAL 106 1.229 2.269 5.366 867 HB VAL 106 HB VAL 106 -0.828 0.057 5.150 868 1HG1 VAL 106 1HG1 VAL 106 -0.882 1.464 3.177 869 2HG1 VAL 106 2HG1 VAL 106 -0.126 -0.082 2.791 870 3HG1 VAL 106 3HG1 VAL 106 0.872 1.355 3.020 871 1HG2 VAL 106 1HG2 VAL 106 1.054 -1.363 4.536 872 2HG2 VAL 106 2HG2 VAL 106 1.285 -0.671 6.142 873 3HG2 VAL 106 3HG2 VAL 106 2.162 -0.009 4.764 874 H LEU 107 H LEU 107 -2.129 1.658 6.390 875 HA LEU 107 HA LEU 107 -3.361 3.434 4.604 876 1HB LEU 107 2HB LEU 107 -4.213 2.426 7.310 877 2HB LEU 107 1HB LEU 107 -5.234 3.448 6.316 878 HG LEU 107 HG LEU 107 -4.198 0.728 5.491 879 1HD1 LEU 107 1HD1 LEU 107 -6.929 1.567 6.458 880 2HD1 LEU 107 2HD1 LEU 107 -5.786 0.538 7.322 881 3HD1 LEU 107 3HD1 LEU 107 -6.507 -0.018 5.812 882 1HD2 LEU 107 1HD2 LEU 107 -4.578 2.151 3.581 883 2HD2 LEU 107 2HD2 LEU 107 -6.163 2.617 4.199 884 3HD2 LEU 107 3HD2 LEU 107 -5.869 0.954 3.686 885 H TYR 108 H TYR 108 -2.109 3.968 7.877 886 HA TYR 108 HA TYR 108 -2.881 6.600 8.290 887 1HB TYR 108 2HB TYR 108 -1.806 5.442 10.067 888 2HB TYR 108 1HB TYR 108 -0.385 5.103 9.089 889 HD1 TYR 108 1HD TYR 108 -2.228 7.824 10.821 890 HD2 TYR 108 2HD TYR 108 1.441 6.596 9.042 891 HE1 TYR 108 1HE TYR 108 -1.117 9.816 11.741 892 HE2 TYR 108 2HE TYR 108 2.558 8.586 9.955 893 HH TYR 108 HH TYR 108 1.245 10.479 12.372 894 H THR 109 H THR 109 0.036 5.411 6.670 895 HA THR 109 HA THR 109 1.097 7.912 5.967 896 HB THR 109 HB THR 109 1.431 5.244 4.575 897 HG1 THR 109 1HG THR 109 2.129 5.048 6.684 898 1HG2 THR 109 1HG2 THR 109 2.178 7.116 3.182 899 2HG2 THR 109 2HG2 THR 109 3.544 6.158 3.752 900 3HG2 THR 109 3HG2 THR 109 3.178 7.706 4.510 901 H LEU 110 H LEU 110 -1.011 5.671 4.212 902 HA LEU 110 HA LEU 110 -1.125 7.105 1.802 903 1HB LEU 110 2HB LEU 110 -3.134 5.229 3.033 904 2HB LEU 110 1HB LEU 110 -3.186 5.797 1.374 905 HG LEU 110 HG LEU 110 -0.940 4.167 2.560 906 1HD1 LEU 110 1HD1 LEU 110 -2.993 2.868 2.428 907 2HD1 LEU 110 2HD1 LEU 110 -1.827 2.328 1.221 908 3HD1 LEU 110 3HD1 LEU 110 -3.194 3.333 0.740 909 1HD2 LEU 110 1HD2 LEU 110 -1.525 4.995 -0.280 910 2HD2 LEU 110 2HD2 LEU 110 -0.229 3.913 0.235 911 3HD2 LEU 110 3HD2 LEU 110 -0.219 5.605 0.737 912 H HIS 111 H HIS 111 -3.150 7.258 4.698 913 HA HIS 111 HA HIS 111 -5.064 9.067 3.669 914 1HB HIS 111 2HB HIS 111 -4.207 8.264 6.422 915 2HB HIS 111 1HB HIS 111 -5.248 9.671 6.231 916 HD1 HIS 111 1HD HIS 111 -7.619 9.101 6.525 917 HD2 HIS 111 2HD HIS 111 -5.479 5.946 4.858 918 HE1 HIS 111 1HE HIS 111 -9.283 7.246 6.190 919 HE2 HIS 111 2HE HIS 111 -7.912 5.275 5.425 920 H ALA 112 H ALA 112 -1.948 9.525 5.219 921 HA ALA 112 HA ALA 112 -2.139 12.307 5.637 922 1HB ALA 112 1HB ALA 112 0.268 12.256 5.915 923 2HB ALA 112 2HB ALA 112 0.343 10.658 5.174 924 3HB ALA 112 3HB ALA 112 -0.463 10.872 6.729 925 H VAL 113 H VAL 113 -0.684 10.427 2.999 926 HA VAL 113 HA VAL 113 0.065 12.681 1.444 927 HB VAL 113 HB VAL 113 -0.463 9.862 0.475 928 1HG1 VAL 113 1HG1 VAL 113 1.094 10.422 -1.319 929 2HG1 VAL 113 2HG1 VAL 113 1.245 12.060 -0.687 930 3HG1 VAL 113 3HG1 VAL 113 -0.300 11.503 -1.328 931 1HG2 VAL 113 1HG2 VAL 113 2.068 11.097 1.555 932 2HG2 VAL 113 2HG2 VAL 113 1.958 9.514 0.785 933 3HG2 VAL 113 3HG2 VAL 113 1.119 9.816 2.307 934 H LYS 114 H LYS 114 -2.808 10.696 1.639 935 HA LYS 114 HA LYS 114 -4.177 11.441 -0.653 936 1HB LYS 114 2HB LYS 114 -5.009 9.682 0.738 937 2HB LYS 114 1HB LYS 114 -5.186 10.762 2.106 938 1HG LYS 114 2HG LYS 114 -7.026 11.875 1.089 939 2HG LYS 114 1HG LYS 114 -6.770 11.028 -0.438 940 1HD LYS 114 2HD LYS 114 -7.328 9.535 2.103 941 2HD LYS 114 1HD LYS 114 -8.639 10.193 1.123 942 1HE LYS 114 2HE LYS 114 -6.503 8.382 0.013 943 2HE LYS 114 1HE LYS 114 -8.028 7.789 0.672 944 1HZ LYS 114 1HZ LYS 114 -7.977 9.843 -1.453 945 2HZ LYS 114 2HZ LYS 114 -9.242 8.804 -1.012 946 3HZ LYS 114 3HZ LYS 114 -7.882 8.193 -1.830 947 H ASP 115 H ASP 115 -4.069 13.075 2.490 948 HA ASP 115 HA ASP 115 -5.973 15.065 1.867 949 1HB ASP 115 2HB ASP 115 -5.219 14.565 4.183 950 2HB ASP 115 1HB ASP 115 -3.659 15.289 3.809 951 H GLU 116 H GLU 116 -2.437 15.150 1.728 952 HA GLU 116 HA GLU 116 -2.035 17.718 0.811 953 1HB GLU 116 2HB GLU 116 -0.494 15.249 -0.025 954 2HB GLU 116 1HB GLU 116 0.096 16.902 -0.061 955 1HG GLU 116 2HG GLU 116 -0.779 15.656 2.508 956 2HG GLU 116 1HG GLU 116 0.820 15.326 1.847 957 H ILE 117 H ILE 117 -2.394 14.748 -1.123 958 HA ILE 117 HA ILE 117 -2.133 15.906 -3.649 959 HB ILE 117 HB ILE 117 -3.738 13.458 -2.893 960 1HG1 ILE 117 2HG1 ILE 117 -0.892 13.698 -3.897 961 2HG1 ILE 117 1HG1 ILE 117 -1.349 13.368 -2.229 962 1HG2 ILE 117 1HG2 ILE 117 -2.642 14.283 -5.580 963 2HG2 ILE 117 2HG2 ILE 117 -4.339 14.331 -5.106 964 3HG2 ILE 117 3HG2 ILE 117 -3.500 12.783 -5.222 965 1HD1 ILE 117 1HD1 ILE 117 -0.684 11.343 -3.410 966 2HD1 ILE 117 2HD1 ILE 117 -1.967 11.611 -4.592 967 3HD1 ILE 117 3HD1 ILE 117 -2.374 11.276 -2.909 968 H ALA 118 H ALA 118 -5.085 15.206 -1.782 969 HA ALA 118 HA ALA 118 -6.805 16.212 -3.844 970 1HB ALA 118 1HB ALA 118 -7.525 14.462 -2.278 971 2HB ALA 118 2HB ALA 118 -8.602 15.858 -2.249 972 3HB ALA 118 3HB ALA 118 -7.431 15.622 -0.953 973 H ARG 119 H ARG 119 -5.120 17.588 -1.163 974 HA ARG 119 HA ARG 119 -6.762 19.882 -0.848 975 1HB ARG 119 2HB ARG 119 -5.221 19.119 0.926 976 2HB ARG 119 1HB ARG 119 -3.849 19.513 -0.095 977 1HG ARG 119 2HG ARG 119 -4.361 21.839 -0.022 978 2HG ARG 119 1HG ARG 119 -5.916 21.534 0.749 979 1HD ARG 119 2HD ARG 119 -3.188 21.073 1.934 980 2HD ARG 119 1HD ARG 119 -4.326 22.344 2.377 981 HE ARG 119 HE ARG 119 -4.911 19.480 2.785 982 1HH1 ARG 119 1HH1 ARG 119 -4.928 22.797 3.906 983 2HH1 ARG 119 2HH1 ARG 119 -5.483 22.387 5.505 984 1HH2 ARG 119 1HH2 ARG 119 -5.637 18.928 4.867 985 2HH2 ARG 119 2HH2 ARG 119 -5.908 20.182 6.050 986 H GLU 120 H GLU 120 -3.590 19.429 -2.450 987 HA GLU 120 HA GLU 120 -3.657 21.985 -3.693 988 1HB GLU 120 2HB GLU 120 -2.048 19.514 -4.209 989 2HB GLU 120 1HB GLU 120 -1.903 20.930 -5.236 990 1HG GLU 120 2HG GLU 120 -1.424 22.213 -3.082 991 2HG GLU 120 1HG GLU 120 -1.188 20.627 -2.345 992 H ASP 121 H ASP 121 -4.130 18.718 -4.983 993 HA ASP 121 HA ASP 121 -5.465 17.880 -6.599 994 1HB ASP 121 2HB ASP 121 -7.318 19.068 -5.670 995 2HB ASP 121 1HB ASP 121 -6.785 20.583 -6.388 996 H SER 122 H SER 122 -5.334 17.591 -8.768 997 HA SER 122 HA SER 122 -4.379 19.739 -10.475 998 1HB SER 122 2HB SER 122 -2.895 17.106 -10.247 999 2HB SER 122 1HB SER 122 -2.509 18.425 -11.354 1000 HG SER 122 HG SER 122 -2.637 19.410 -8.880 1001 H ARG 123 H ARG 123 -6.101 19.696 -11.807 1002 HA ARG 123 HA ARG 123 -7.073 17.091 -12.733 1003 1HB ARG 123 2HB ARG 123 -8.434 19.793 -12.846 1004 2HB ARG 123 1HB ARG 123 -9.151 18.253 -13.310 1005 1HG ARG 123 2HG ARG 123 -8.976 17.441 -11.043 1006 2HG ARG 123 1HG ARG 123 -8.147 18.915 -10.554 1007 1HD ARG 123 2HD ARG 123 -10.264 20.137 -11.320 1008 2HD ARG 123 1HD ARG 123 -11.026 18.541 -11.312 1009 HE ARG 123 HE ARG 123 -9.605 19.478 -8.919 1010 1HH1 ARG 123 1HH1 ARG 123 -12.664 18.635 -10.450 1011 2HH1 ARG 123 2HH1 ARG 123 -13.498 18.461 -8.929 1012 1HH2 ARG 123 1HH2 ARG 123 -10.730 19.250 -6.949 1013 2HH2 ARG 123 2HH2 ARG 123 -12.415 18.822 -6.960 Start of MODEL 5 1 1H MET 1 1HT MET 1 -10.568 8.997 -6.127 2 2H MET 1 2HT MET 1 -10.957 8.767 -7.760 3 3H MET 1 3HT MET 1 -12.054 8.296 -6.556 4 HA MET 1 HA MET 1 -12.788 10.323 -7.582 5 1HB MET 1 2HB MET 1 -12.865 11.755 -5.520 6 2HB MET 1 1HB MET 1 -13.365 10.091 -5.265 7 1HG MET 1 2HG MET 1 -11.098 9.600 -4.392 8 2HG MET 1 1HG MET 1 -10.721 11.316 -4.533 9 1HE MET 1 1HE MET 1 -10.511 9.505 -1.863 10 2HE MET 1 2HE MET 1 -11.110 10.644 -0.658 11 3HE MET 1 3HE MET 1 -10.016 11.196 -1.929 12 H LEU 2 H LEU 2 -12.363 12.284 -8.457 13 HA LEU 2 HA LEU 2 -11.222 14.044 -9.304 14 1HB LEU 2 2HB LEU 2 -9.375 13.417 -7.024 15 2HB LEU 2 1HB LEU 2 -8.922 14.598 -8.235 16 HG LEU 2 HG LEU 2 -10.964 15.903 -7.682 17 1HD1 LEU 2 1HD1 LEU 2 -12.340 14.087 -6.811 18 2HD1 LEU 2 2HD1 LEU 2 -12.200 15.406 -5.649 19 3HD1 LEU 2 3HD1 LEU 2 -11.262 13.930 -5.425 20 1HD2 LEU 2 1HD2 LEU 2 -9.109 15.320 -5.379 21 2HD2 LEU 2 2HD2 LEU 2 -10.134 16.747 -5.537 22 3HD2 LEU 2 3HD2 LEU 2 -8.827 16.469 -6.687 23 H SER 3 H SER 3 -9.786 14.401 -10.971 24 HA SER 3 HA SER 3 -8.831 11.933 -12.159 25 1HB SER 3 2HB SER 3 -8.799 14.716 -13.339 26 2HB SER 3 1HB SER 3 -8.695 13.185 -14.207 27 HG SER 3 HG SER 3 -10.918 14.247 -12.796 28 H GLN 4 H GLN 4 -7.308 13.096 -9.910 29 HA GLN 4 HA GLN 4 -4.876 14.162 -11.050 30 1HB GLN 4 2HB GLN 4 -5.388 13.168 -8.240 31 2HB GLN 4 1HB GLN 4 -4.031 14.154 -8.768 32 1HG GLN 4 2HG GLN 4 -5.529 15.997 -9.256 33 2HG GLN 4 1HG GLN 4 -6.919 15.010 -8.804 34 1HE2 GLN 4 1HE2 GLN 4 -4.208 16.834 -7.672 35 2HE2 GLN 4 2HE2 GLN 4 -4.641 16.829 -5.997 36 H THR 5 H THR 5 -3.525 12.857 -12.116 37 HA THR 5 HA THR 5 -3.547 10.023 -11.833 38 HB THR 5 HB THR 5 -1.334 11.560 -13.175 39 HG1 THR 5 1HG THR 5 -4.028 11.162 -14.039 40 1HG2 THR 5 1HG2 THR 5 -1.397 9.640 -14.711 41 2HG2 THR 5 2HG2 THR 5 -2.716 8.940 -13.773 42 3HG2 THR 5 3HG2 THR 5 -1.121 9.130 -13.046 43 H LEU 6 H LEU 6 -3.133 9.773 -9.620 44 HA LEU 6 HA LEU 6 -0.651 9.113 -8.702 45 1HB LEU 6 2HB LEU 6 -0.064 11.520 -8.993 46 2HB LEU 6 1HB LEU 6 -1.336 11.943 -7.864 47 HG LEU 6 HG LEU 6 -0.139 10.684 -6.093 48 1HD1 LEU 6 1HD1 LEU 6 2.187 10.032 -6.474 49 2HD1 LEU 6 2HD1 LEU 6 2.023 10.443 -8.180 50 3HD1 LEU 6 3HD1 LEU 6 1.081 9.118 -7.497 51 1HD2 LEU 6 1HD2 LEU 6 1.436 12.849 -7.476 52 2HD2 LEU 6 2HD2 LEU 6 1.656 12.330 -5.805 53 3HD2 LEU 6 3HD2 LEU 6 0.141 13.082 -6.301 54 H LEU 7 H LEU 7 -3.674 10.717 -7.954 55 HA LEU 7 HA LEU 7 -3.781 9.795 -5.237 56 1HB LEU 7 2HB LEU 7 -4.802 11.924 -6.007 57 2HB LEU 7 1HB LEU 7 -5.954 11.002 -6.952 58 HG LEU 7 HG LEU 7 -6.856 10.014 -4.887 59 1HD1 LEU 7 1HD1 LEU 7 -4.859 10.103 -3.510 60 2HD1 LEU 7 2HD1 LEU 7 -6.196 10.935 -2.715 61 3HD1 LEU 7 3HD1 LEU 7 -4.921 11.865 -3.503 62 1HD2 LEU 7 1HD2 LEU 7 -7.873 12.031 -5.801 63 2HD2 LEU 7 2HD2 LEU 7 -6.761 13.027 -4.864 64 3HD2 LEU 7 3HD2 LEU 7 -7.954 12.023 -4.040 65 H GLU 8 H GLU 8 -5.168 8.824 -8.324 66 HA GLU 8 HA GLU 8 -6.942 6.889 -7.232 67 1HB GLU 8 2HB GLU 8 -6.655 5.993 -9.749 68 2HB GLU 8 1HB GLU 8 -7.695 7.327 -9.309 69 1HG GLU 8 2HG GLU 8 -6.481 7.906 -11.269 70 2HG GLU 8 1HG GLU 8 -5.901 8.898 -9.937 71 H MET 9 H MET 9 -3.688 6.764 -8.528 72 HA MET 9 HA MET 9 -3.223 4.016 -8.211 73 1HB MET 9 2HB MET 9 -1.674 5.520 -9.382 74 2HB MET 9 1HB MET 9 -1.295 6.317 -7.861 75 1HG MET 9 2HG MET 9 -0.375 4.191 -7.014 76 2HG MET 9 1HG MET 9 -0.695 3.456 -8.585 77 1HE MET 9 1HE MET 9 2.181 7.023 -8.065 78 2HE MET 9 2HE MET 9 1.240 6.342 -6.738 79 3HE MET 9 3HE MET 9 0.424 7.165 -8.068 80 H THR 10 H THR 10 -3.064 6.686 -5.921 81 HA THR 10 HA THR 10 -2.118 5.187 -3.716 82 HB THR 10 HB THR 10 -3.839 7.681 -3.694 83 HG1 THR 10 1HG THR 10 -1.898 8.062 -4.805 84 1HG2 THR 10 1HG2 THR 10 -3.788 6.529 -1.523 85 2HG2 THR 10 2HG2 THR 10 -2.904 8.055 -1.464 86 3HG2 THR 10 3HG2 THR 10 -2.023 6.530 -1.565 87 H GLU 11 H GLU 11 -5.390 6.100 -4.774 88 HA GLU 11 HA GLU 11 -6.852 4.770 -2.804 89 1HB GLU 11 2HB GLU 11 -7.477 5.444 -5.671 90 2HB GLU 11 1HB GLU 11 -8.644 4.636 -4.636 91 1HG GLU 11 2HG GLU 11 -8.570 6.521 -3.081 92 2HG GLU 11 1HG GLU 11 -7.402 7.329 -4.125 93 H GLN 12 H GLN 12 -5.485 3.579 -5.830 94 HA GLN 12 HA GLN 12 -6.535 0.982 -5.763 95 1HB GLN 12 2HB GLN 12 -5.466 1.721 -7.756 96 2HB GLN 12 1HB GLN 12 -3.980 2.110 -6.902 97 1HG GLN 12 2HG GLN 12 -3.554 -0.252 -6.529 98 2HG GLN 12 1HG GLN 12 -5.069 -0.663 -7.332 99 1HE2 GLN 12 1HE2 GLN 12 -3.879 -1.933 -8.813 100 2HE2 GLN 12 2HE2 GLN 12 -3.000 -1.197 -10.118 101 H MET 13 H MET 13 -3.491 2.256 -4.425 102 HA MET 13 HA MET 13 -2.605 -0.146 -3.282 103 1HB MET 13 2HB MET 13 -1.156 1.810 -3.566 104 2HB MET 13 1HB MET 13 -2.089 2.687 -2.361 105 1HG MET 13 2HG MET 13 -1.391 1.151 -0.641 106 2HG MET 13 1HG MET 13 -0.562 0.151 -1.830 107 1HE MET 13 1HE MET 13 0.740 2.357 -3.710 108 2HE MET 13 2HE MET 13 1.626 0.937 -3.157 109 3HE MET 13 3HE MET 13 2.334 2.544 -2.981 110 H ILE 14 H ILE 14 -4.684 2.417 -2.024 111 HA ILE 14 HA ILE 14 -4.989 1.389 0.587 112 HB ILE 14 HB ILE 14 -6.943 3.041 -1.034 113 1HG1 ILE 14 2HG1 ILE 14 -4.914 3.901 1.043 114 2HG1 ILE 14 1HG1 ILE 14 -4.704 4.080 -0.697 115 1HG2 ILE 14 1HG2 ILE 14 -8.031 1.912 0.842 116 2HG2 ILE 14 2HG2 ILE 14 -7.935 3.652 1.113 117 3HG2 ILE 14 3HG2 ILE 14 -6.818 2.568 1.943 118 1HD1 ILE 14 1HD1 ILE 14 -5.398 6.163 0.344 119 2HD1 ILE 14 2HD1 ILE 14 -6.853 5.381 0.965 120 3HD1 ILE 14 3HD1 ILE 14 -6.628 5.575 -0.774 121 H GLU 15 H GLU 15 -6.816 0.900 -2.391 122 HA GLU 15 HA GLU 15 -8.888 -0.670 -1.356 123 1HB GLU 15 2HB GLU 15 -8.761 0.393 -3.641 124 2HB GLU 15 1HB GLU 15 -7.675 -0.906 -4.114 125 1HG GLU 15 2HG GLU 15 -9.431 -2.540 -3.672 126 2HG GLU 15 1HG GLU 15 -10.522 -1.242 -3.190 127 H VAL 16 H VAL 16 -5.725 -1.585 -2.669 128 HA VAL 16 HA VAL 16 -6.054 -4.378 -2.440 129 HB VAL 16 HB VAL 16 -3.497 -2.757 -2.299 130 1HG1 VAL 16 1HG1 VAL 16 -3.201 -5.016 -1.395 131 2HG1 VAL 16 2HG1 VAL 16 -2.359 -4.825 -2.932 132 3HG1 VAL 16 3HG1 VAL 16 -3.889 -5.699 -2.868 133 1HG2 VAL 16 1HG2 VAL 16 -3.272 -3.322 -4.672 134 2HG2 VAL 16 2HG2 VAL 16 -4.739 -2.393 -4.368 135 3HG2 VAL 16 3HG2 VAL 16 -4.838 -4.134 -4.628 136 H ALA 17 H ALA 17 -4.712 -1.975 -0.177 137 HA ALA 17 HA ALA 17 -3.957 -3.807 1.828 138 1HB ALA 17 1HB ALA 17 -3.136 -1.504 1.744 139 2HB ALA 17 2HB ALA 17 -3.850 -1.875 3.315 140 3HB ALA 17 3HB ALA 17 -4.749 -0.913 2.140 141 H GLU 18 H GLU 18 -6.899 -1.836 1.455 142 HA GLU 18 HA GLU 18 -8.286 -2.704 3.692 143 1HB GLU 18 2HB GLU 18 -9.099 -1.681 1.000 144 2HB GLU 18 1HB GLU 18 -10.317 -2.220 2.138 145 1HG GLU 18 2HG GLU 18 -8.253 -0.133 2.768 146 2HG GLU 18 1HG GLU 18 -9.862 0.233 2.147 147 H LYS 19 H LYS 19 -8.448 -3.996 0.363 148 HA LYS 19 HA LYS 19 -10.238 -6.065 1.040 149 1HB LYS 19 2HB LYS 19 -9.340 -4.932 -1.277 150 2HB LYS 19 1HB LYS 19 -8.543 -6.500 -1.310 151 1HG LYS 19 2HG LYS 19 -10.684 -6.546 -2.460 152 2HG LYS 19 1HG LYS 19 -10.669 -7.610 -1.053 153 1HD LYS 19 2HD LYS 19 -11.842 -5.914 0.252 154 2HD LYS 19 1HD LYS 19 -11.839 -4.835 -1.142 155 1HE LYS 19 2HE LYS 19 -13.997 -5.960 -0.855 156 2HE LYS 19 1HE LYS 19 -13.227 -6.387 -2.381 157 1HZ LYS 19 1HZ LYS 19 -12.684 -8.505 -1.591 158 2HZ LYS 19 2HZ LYS 19 -14.265 -8.252 -1.042 159 3HZ LYS 19 3HZ LYS 19 -12.963 -8.092 0.032 160 H GLY 20 H GLY 20 -6.774 -5.778 1.141 161 1HA GLY 20 2HA GLY 20 -6.136 -8.527 1.335 162 2HA GLY 20 1HA GLY 20 -5.174 -7.205 1.983 163 H ALA 21 H ALA 21 -6.884 -6.095 3.809 164 HA ALA 21 HA ALA 21 -6.760 -7.904 5.997 165 1HB ALA 21 1HB ALA 21 -8.218 -5.270 5.775 166 2HB ALA 21 2HB ALA 21 -6.546 -5.485 6.295 167 3HB ALA 21 3HB ALA 21 -7.865 -6.133 7.272 168 H ASP 22 H ASP 22 -9.353 -6.750 3.910 169 HA ASP 22 HA ASP 22 -11.531 -8.008 5.142 170 1HB ASP 22 2HB ASP 22 -11.952 -6.393 3.433 171 2HB ASP 22 1HB ASP 22 -10.989 -7.282 2.260 172 H ARG 23 H ARG 23 -9.279 -9.179 2.686 173 HA ARG 23 HA ARG 23 -10.459 -11.690 2.245 174 1HB ARG 23 2HB ARG 23 -8.658 -10.606 0.854 175 2HB ARG 23 1HB ARG 23 -7.511 -11.044 2.110 176 1HG ARG 23 2HG ARG 23 -7.323 -12.687 0.436 177 2HG ARG 23 1HG ARG 23 -8.217 -13.438 1.759 178 1HD ARG 23 2HD ARG 23 -10.323 -12.933 0.575 179 2HD ARG 23 1HD ARG 23 -9.385 -12.283 -0.766 180 HE ARG 23 HE ARG 23 -9.464 -15.102 0.066 181 1HH1 ARG 23 1HH1 ARG 23 -8.625 -12.656 -2.299 182 2HH1 ARG 23 2HH1 ARG 23 -8.411 -13.800 -3.595 183 1HH2 ARG 23 1HH2 ARG 23 -9.187 -16.599 -1.652 184 2HH2 ARG 23 2HH2 ARG 23 -8.764 -16.027 -3.236 185 H TYR 24 H TYR 24 -7.946 -10.635 4.501 186 HA TYR 24 HA TYR 24 -7.416 -13.180 5.605 187 1HB TYR 24 2HB TYR 24 -5.868 -11.279 5.801 188 2HB TYR 24 1HB TYR 24 -7.027 -10.439 6.823 189 HD1 TYR 24 1HD TYR 24 -6.810 -10.607 9.120 190 HD2 TYR 24 2HD TYR 24 -5.109 -13.646 6.675 191 HE1 TYR 24 1HE TYR 24 -5.805 -11.637 11.111 192 HE2 TYR 24 2HE TYR 24 -4.101 -14.687 8.663 193 HH TYR 24 HH TYR 24 -3.457 -14.128 10.916 194 H GLN 25 H GLN 25 -9.753 -10.677 6.382 195 HA GLN 25 HA GLN 25 -10.600 -11.811 8.858 196 1HB GLN 25 2HB GLN 25 -10.977 -9.429 8.171 197 2HB GLN 25 1HB GLN 25 -12.173 -9.999 7.016 198 1HG GLN 25 2HG GLN 25 -13.535 -10.882 8.813 199 2HG GLN 25 1HG GLN 25 -12.319 -10.404 9.995 200 1HE2 GLN 25 1HE2 GLN 25 -15.107 -9.626 9.837 201 2HE2 GLN 25 2HE2 GLN 25 -15.125 -7.898 9.710 202 H GLU 26 H GLU 26 -11.566 -12.181 5.510 203 HA GLU 26 HA GLU 26 -13.836 -13.829 6.065 204 1HB GLU 26 2HB GLU 26 -13.599 -12.534 3.970 205 2HB GLU 26 1HB GLU 26 -12.231 -13.541 3.514 206 1HG GLU 26 2HG GLU 26 -14.237 -14.230 2.351 207 2HG GLU 26 1HG GLU 26 -13.688 -15.495 3.449 208 H GLY 27 H GLY 27 -10.663 -14.565 4.602 209 1HA GLY 27 2HA GLY 27 -9.619 -16.511 5.998 210 2HA GLY 27 1HA GLY 27 -11.019 -17.371 5.372 211 H LYS 28 H LYS 28 -8.940 -18.608 4.661 212 HA LYS 28 HA LYS 28 -7.782 -17.520 2.225 213 1HB LYS 28 2HB LYS 28 -6.371 -19.535 2.242 214 2HB LYS 28 1HB LYS 28 -6.280 -18.661 3.764 215 1HG LYS 28 2HG LYS 28 -7.886 -20.283 4.734 216 2HG LYS 28 1HG LYS 28 -7.827 -21.185 3.218 217 1HD LYS 28 2HD LYS 28 -5.424 -21.519 3.503 218 2HD LYS 28 1HD LYS 28 -5.471 -20.602 5.011 219 1HE LYS 28 2HE LYS 28 -7.036 -22.272 5.935 220 2HE LYS 28 1HE LYS 28 -6.898 -23.200 4.445 221 1HZ LYS 28 1HZ LYS 28 -4.494 -23.404 4.900 222 2HZ LYS 28 2HZ LYS 28 -5.460 -24.130 6.085 223 3HZ LYS 28 3HZ LYS 28 -4.729 -22.635 6.394 224 H ASN 29 H ASN 29 -7.882 -18.617 0.216 225 HA ASN 29 HA ASN 29 -10.106 -20.507 -0.086 226 1HB ASN 29 2HB ASN 29 -10.913 -18.194 -0.609 227 2HB ASN 29 1HB ASN 29 -9.680 -18.086 -1.861 228 1HD2 ASN 29 1HD2 ASN 29 -9.964 -19.168 -3.779 229 2HD2 ASN 29 2HD2 ASN 29 -11.462 -19.912 -4.218 230 H SER 30 H SER 30 -9.911 -21.887 -1.872 231 HA SER 30 HA SER 30 -8.857 -23.168 -3.415 232 1HB SER 30 2HB SER 30 -6.805 -20.949 -3.623 233 2HB SER 30 1HB SER 30 -7.000 -22.296 -4.743 234 HG SER 30 HG SER 30 -8.009 -20.289 -5.411 235 H ASN 31 H ASN 31 -7.839 -24.967 -2.836 236 HA ASN 31 HA ASN 31 -5.758 -24.731 -0.774 237 1HB ASN 31 2HB ASN 31 -6.249 -27.006 -0.123 238 2HB ASN 31 1HB ASN 31 -7.743 -26.083 -0.158 239 1HD2 ASN 31 1HD2 ASN 31 -9.297 -26.560 -1.697 240 2HD2 ASN 31 2HD2 ASN 31 -9.240 -28.003 -2.653 241 H HIS 32 H HIS 32 -6.308 -25.518 -4.023 242 HA HIS 32 HA HIS 32 -3.570 -26.595 -4.229 243 1HB HIS 32 2HB HIS 32 -5.940 -27.003 -6.068 244 2HB HIS 32 1HB HIS 32 -4.295 -27.484 -6.469 245 HD1 HIS 32 1HD HIS 32 -7.184 -29.081 -5.578 246 HD2 HIS 32 2HD HIS 32 -3.394 -29.094 -3.867 247 HE1 HIS 32 1HE HIS 32 -7.039 -31.222 -4.265 248 HE2 HIS 32 2HE HIS 32 -4.831 -31.082 -3.058 249 H SER 33 H SER 33 -2.250 -25.762 -5.897 250 HA SER 33 HA SER 33 -1.334 -24.178 -7.220 251 1HB SER 33 2HB SER 33 -3.529 -24.282 -8.481 252 2HB SER 33 1HB SER 33 -4.051 -22.891 -7.531 253 HG SER 33 HG SER 33 -3.096 -21.787 -9.052 254 H TYR 34 H TYR 34 -3.534 -23.120 -4.709 255 HA TYR 34 HA TYR 34 -2.257 -20.608 -4.234 256 1HB TYR 34 2HB TYR 34 -4.575 -21.035 -3.532 257 2HB TYR 34 1HB TYR 34 -4.026 -22.305 -2.449 258 HD1 TYR 34 1HD TYR 34 -3.652 -18.644 -3.071 259 HD2 TYR 34 2HD TYR 34 -3.584 -21.804 -0.225 260 HE1 TYR 34 1HE TYR 34 -3.465 -16.998 -1.251 261 HE2 TYR 34 2HE TYR 34 -3.390 -20.167 1.597 262 HH TYR 34 HH TYR 34 -2.582 -17.815 1.886 263 H ASP 35 H ASP 35 -0.073 -21.378 -4.332 264 HA ASP 35 HA ASP 35 1.084 -21.821 -1.776 265 1HB ASP 35 2HB ASP 35 0.397 -24.131 -2.153 266 2HB ASP 35 1HB ASP 35 1.149 -24.122 -3.745 267 H PHE 36 H PHE 36 2.234 -20.032 -2.317 268 HA PHE 36 HA PHE 36 4.049 -18.868 -2.974 269 1HB PHE 36 2HB PHE 36 5.186 -21.138 -2.728 270 2HB PHE 36 1HB PHE 36 5.046 -21.278 -4.477 271 HD1 PHE 36 1HD PHE 36 6.448 -19.995 -5.943 272 HD2 PHE 36 2HD PHE 36 6.606 -19.424 -1.725 273 HE1 PHE 36 1HE PHE 36 8.524 -18.698 -6.198 274 HE2 PHE 36 2HE PHE 36 8.679 -18.126 -1.976 275 HZ PHE 36 HZ PHE 36 9.639 -17.760 -4.211 276 H PHE 37 H PHE 37 3.198 -20.997 -5.721 277 HA PHE 37 HA PHE 37 3.715 -18.869 -7.582 278 1HB PHE 37 2HB PHE 37 2.642 -21.664 -8.011 279 2HB PHE 37 1HB PHE 37 3.104 -20.548 -9.290 280 HD1 PHE 37 1HD PHE 37 4.307 -22.780 -6.663 281 HD2 PHE 37 2HD PHE 37 5.431 -20.058 -9.734 282 HE1 PHE 37 1HE PHE 37 6.620 -23.609 -6.547 283 HE2 PHE 37 2HE PHE 37 7.743 -20.887 -9.628 284 HZ PHE 37 HZ PHE 37 8.342 -22.663 -8.032 285 H GLU 38 H GLU 38 2.119 -18.419 -9.274 286 HA GLU 38 HA GLU 38 0.175 -17.612 -10.043 287 1HB GLU 38 2HB GLU 38 -0.793 -19.799 -9.545 288 2HB GLU 38 1HB GLU 38 -1.129 -19.262 -7.906 289 1HG GLU 38 2HG GLU 38 -2.574 -17.503 -8.807 290 2HG GLU 38 1HG GLU 38 -2.291 -18.123 -10.428 291 H THR 39 H THR 39 0.518 -17.578 -6.550 292 HA THR 39 HA THR 39 -0.978 -15.072 -6.411 293 HB THR 39 HB THR 39 -0.573 -15.528 -3.859 294 HG1 THR 39 1HG THR 39 -0.384 -18.174 -4.900 295 1HG2 THR 39 1HG2 THR 39 -2.760 -15.585 -4.958 296 2HG2 THR 39 2HG2 THR 39 -2.604 -16.901 -3.794 297 3HG2 THR 39 3HG2 THR 39 -2.441 -17.227 -5.520 298 H ILE 40 H ILE 40 2.025 -16.352 -4.912 299 HA ILE 40 HA ILE 40 2.949 -13.630 -4.533 300 HB ILE 40 HB ILE 40 4.414 -16.183 -3.822 301 1HG1 ILE 40 2HG1 ILE 40 3.627 -15.350 -1.436 302 2HG1 ILE 40 1HG1 ILE 40 2.322 -14.620 -2.361 303 1HG2 ILE 40 1HG2 ILE 40 5.877 -14.256 -3.935 304 2HG2 ILE 40 2HG2 ILE 40 5.642 -14.731 -2.253 305 3HG2 ILE 40 3HG2 ILE 40 4.785 -13.334 -2.902 306 1HD1 ILE 40 1HD1 ILE 40 1.720 -16.802 -1.443 307 2HD1 ILE 40 2HD1 ILE 40 3.025 -17.541 -2.368 308 3HD1 ILE 40 3HD1 ILE 40 1.670 -16.787 -3.205 309 H LYS 41 H LYS 41 2.761 -13.780 -7.087 310 HA LYS 41 HA LYS 41 5.530 -13.552 -7.907 311 1HB LYS 41 2HB LYS 41 3.592 -15.411 -9.224 312 2HB LYS 41 1HB LYS 41 4.784 -14.579 -10.210 313 1HG LYS 41 2HG LYS 41 5.376 -16.391 -7.881 314 2HG LYS 41 1HG LYS 41 5.541 -16.800 -9.589 315 1HD LYS 41 2HD LYS 41 7.174 -14.907 -9.794 316 2HD LYS 41 1HD LYS 41 7.109 -14.742 -8.038 317 1HE LYS 41 2HE LYS 41 9.016 -16.068 -8.551 318 2HE LYS 41 1HE LYS 41 7.793 -17.144 -7.875 319 1HZ LYS 41 1HZ LYS 41 8.549 -16.840 -10.730 320 2HZ LYS 41 2HZ LYS 41 7.181 -17.704 -10.220 321 3HZ LYS 41 3HZ LYS 41 8.731 -18.214 -9.755 322 HA PRO 42 HA PRO 42 2.997 -11.074 -11.119 323 1HB PRO 42 2HB PRO 42 0.281 -11.071 -11.004 324 2HB PRO 42 1HB PRO 42 1.204 -12.240 -11.956 325 1HG PRO 42 2HG PRO 42 -0.032 -12.555 -9.249 326 2HG PRO 42 1HG PRO 42 -0.021 -13.687 -10.614 327 1HD PRO 42 2HD PRO 42 1.655 -13.939 -8.507 328 2HD PRO 42 1HD PRO 42 2.115 -14.421 -10.152 329 H ALA 43 H ALA 43 1.247 -11.331 -8.049 330 HA ALA 43 HA ALA 43 0.548 -8.620 -7.803 331 1HB ALA 43 1HB ALA 43 -0.493 -10.365 -6.450 332 2HB ALA 43 2HB ALA 43 0.217 -9.120 -5.423 333 3HB ALA 43 3HB ALA 43 1.041 -10.666 -5.635 334 H VAL 44 H VAL 44 3.387 -10.443 -6.746 335 HA VAL 44 HA VAL 44 4.599 -8.404 -5.248 336 HB VAL 44 HB VAL 44 6.022 -10.587 -6.780 337 1HG1 VAL 44 1HG1 VAL 44 7.527 -8.899 -5.925 338 2HG1 VAL 44 2HG1 VAL 44 7.700 -10.386 -4.992 339 3HG1 VAL 44 3HG1 VAL 44 6.802 -9.023 -4.322 340 1HG2 VAL 44 1HG2 VAL 44 4.811 -10.669 -4.018 341 2HG2 VAL 44 2HG2 VAL 44 5.837 -11.918 -4.724 342 3HG2 VAL 44 3HG2 VAL 44 4.262 -11.566 -5.434 343 H GLU 45 H GLU 45 4.867 -9.283 -8.676 344 HA GLU 45 HA GLU 45 6.804 -7.370 -9.384 345 1HB GLU 45 2HB GLU 45 4.601 -8.581 -11.063 346 2HB GLU 45 1HB GLU 45 6.007 -7.736 -11.683 347 1HG GLU 45 2HG GLU 45 7.465 -9.456 -10.783 348 2HG GLU 45 1HG GLU 45 6.070 -10.292 -10.104 349 H GLU 46 H GLU 46 3.266 -7.316 -9.556 350 HA GLU 46 HA GLU 46 2.951 -4.786 -10.718 351 1HB GLU 46 2HB GLU 46 1.232 -6.651 -10.332 352 2HB GLU 46 1HB GLU 46 1.048 -5.971 -8.738 353 1HG GLU 46 2HG GLU 46 -0.683 -5.162 -10.230 354 2HG GLU 46 1HG GLU 46 0.359 -3.847 -9.689 355 H ASN 47 H ASN 47 2.510 -5.764 -7.371 356 HA ASN 47 HA ASN 47 2.026 -3.181 -6.394 357 1HB ASN 47 2HB ASN 47 2.852 -5.702 -4.961 358 2HB ASN 47 1HB ASN 47 2.440 -4.207 -4.124 359 1HD2 ASN 47 1HD2 ASN 47 0.298 -3.477 -4.163 360 2HD2 ASN 47 2HD2 ASN 47 -1.011 -4.516 -4.598 361 H ASP 48 H ASP 48 5.066 -4.856 -6.909 362 HA ASP 48 HA ASP 48 6.649 -3.154 -5.274 363 1HB ASP 48 2HB ASP 48 7.422 -5.349 -6.291 364 2HB ASP 48 1HB ASP 48 7.582 -4.493 -7.821 365 H GLU 49 H GLU 49 6.082 -3.140 -8.798 366 HA GLU 49 HA GLU 49 7.320 -0.655 -9.296 367 1HB GLU 49 2HB GLU 49 5.079 -1.999 -10.819 368 2HB GLU 49 1HB GLU 49 6.059 -0.669 -11.417 369 1HG GLU 49 2HG GLU 49 8.042 -2.087 -11.331 370 2HG GLU 49 1HG GLU 49 7.061 -3.419 -10.721 371 H LEU 50 H LEU 50 4.102 -1.568 -8.330 372 HA LEU 50 HA LEU 50 2.752 0.856 -8.739 373 1HB LEU 50 2HB LEU 50 1.898 -1.514 -8.061 374 2HB LEU 50 1HB LEU 50 2.175 -0.961 -6.421 375 HG LEU 50 HG LEU 50 0.644 1.002 -6.983 376 1HD1 LEU 50 1HD1 LEU 50 0.727 0.779 -9.404 377 2HD1 LEU 50 2HD1 LEU 50 -0.930 0.608 -8.823 378 3HD1 LEU 50 3HD1 LEU 50 -0.009 -0.821 -9.297 379 1HD2 LEU 50 1HD2 LEU 50 -0.031 -0.869 -5.561 380 2HD2 LEU 50 2HD2 LEU 50 -0.500 -1.790 -6.991 381 3HD2 LEU 50 3HD2 LEU 50 -1.368 -0.315 -6.567 382 H ALA 51 H ALA 51 4.291 -0.454 -5.819 383 HA ALA 51 HA ALA 51 3.905 1.933 -4.309 384 1HB ALA 51 1HB ALA 51 4.085 -0.256 -3.244 385 2HB ALA 51 2HB ALA 51 5.308 0.860 -2.633 386 3HB ALA 51 3HB ALA 51 5.756 -0.387 -3.797 387 H ALA 52 H ALA 52 6.377 0.758 -6.451 388 HA ALA 52 HA ALA 52 8.454 2.531 -5.690 389 1HB ALA 52 1HB ALA 52 8.890 0.567 -7.057 390 2HB ALA 52 2HB ALA 52 9.407 2.026 -7.903 391 3HB ALA 52 3HB ALA 52 7.901 1.228 -8.359 392 H ARG 53 H ARG 53 6.142 2.696 -8.404 393 HA ARG 53 HA ARG 53 6.735 5.288 -9.247 394 1HB ARG 53 2HB ARG 53 5.267 3.362 -10.245 395 2HB ARG 53 1HB ARG 53 3.967 4.119 -9.343 396 1HG ARG 53 2HG ARG 53 5.637 5.682 -11.271 397 2HG ARG 53 1HG ARG 53 4.274 4.704 -11.798 398 1HD ARG 53 2HD ARG 53 2.891 5.978 -10.084 399 2HD ARG 53 1HD ARG 53 4.253 7.091 -9.968 400 HE ARG 53 HE ARG 53 3.486 6.718 -12.677 401 1HH1 ARG 53 1HH1 ARG 53 2.505 8.380 -9.749 402 2HH1 ARG 53 2HH1 ARG 53 1.623 9.609 -10.595 403 1HH2 ARG 53 1HH2 ARG 53 2.323 8.326 -13.781 404 2HH2 ARG 53 2HH2 ARG 53 1.535 9.594 -12.890 405 H TRP 54 H TRP 54 4.486 4.074 -6.810 406 HA TRP 54 HA TRP 54 3.276 6.529 -6.143 407 1HB TRP 54 2HB TRP 54 2.410 4.310 -5.450 408 2HB TRP 54 1HB TRP 54 3.776 4.138 -4.353 409 HD1 TRP 54 HD TRP 54 0.652 6.337 -4.856 410 HE1 TRP 54 1HE TRP 54 -0.076 7.242 -2.562 411 HE3 TRP 54 3HE TRP 54 4.518 4.551 -2.032 412 HZ2 TRP 54 2HZ TRP 54 0.876 7.202 0.106 413 HZ3 TRP 54 3HZ TRP 54 4.536 5.027 0.381 414 HH2 TRP 54 HH TRP 54 2.751 6.326 1.426 415 H ALA 55 H ALA 55 5.994 4.808 -4.605 416 HA ALA 55 HA ALA 55 6.581 6.759 -2.691 417 1HB ALA 55 1HB ALA 55 8.761 5.677 -2.491 418 2HB ALA 55 2HB ALA 55 8.459 4.789 -3.985 419 3HB ALA 55 3HB ALA 55 7.458 4.491 -2.563 420 H GLU 56 H GLU 56 7.868 6.318 -5.986 421 HA GLU 56 HA GLU 56 9.777 8.334 -5.923 422 1HB GLU 56 2HB GLU 56 8.162 7.041 -8.096 423 2HB GLU 56 1HB GLU 56 9.268 8.342 -8.462 424 1HG GLU 56 2HG GLU 56 11.083 7.007 -7.381 425 2HG GLU 56 1HG GLU 56 9.931 5.681 -7.250 426 H GLY 57 H GLY 57 6.316 8.453 -6.637 427 1HA GLY 57 2HA GLY 57 6.320 11.213 -7.373 428 2HA GLY 57 1HA GLY 57 4.908 10.242 -6.984 429 H ALA 58 H ALA 58 5.384 9.493 -4.421 430 HA ALA 58 HA ALA 58 4.572 11.785 -2.993 431 1HB ALA 58 1HB ALA 58 5.546 9.146 -1.906 432 2HB ALA 58 2HB ALA 58 3.883 9.523 -2.365 433 3HB ALA 58 3HB ALA 58 4.642 10.369 -1.017 434 H LEU 59 H LEU 59 7.667 10.076 -3.150 435 HA LEU 59 HA LEU 59 9.017 11.599 -1.222 436 1HB LEU 59 2HB LEU 59 9.887 9.950 -3.572 437 2HB LEU 59 1HB LEU 59 11.043 10.817 -2.599 438 HG LEU 59 HG LEU 59 9.174 8.674 -1.603 439 1HD1 LEU 59 1HD1 LEU 59 10.943 7.779 -3.004 440 2HD1 LEU 59 2HD1 LEU 59 11.222 7.356 -1.315 441 3HD1 LEU 59 3HD1 LEU 59 12.152 8.653 -2.064 442 1HD2 LEU 59 1HD2 LEU 59 10.390 8.831 0.491 443 2HD2 LEU 59 2HD2 LEU 59 9.651 10.384 0.097 444 3HD2 LEU 59 3HD2 LEU 59 11.379 10.138 -0.156 445 H GLU 60 H GLU 60 8.526 12.029 -4.682 446 HA GLU 60 HA GLU 60 10.303 14.172 -5.078 447 1HB GLU 60 2HB GLU 60 8.903 12.724 -6.768 448 2HB GLU 60 1HB GLU 60 7.703 13.990 -6.558 449 1HG GLU 60 2HG GLU 60 8.986 14.498 -8.492 450 2HG GLU 60 1HG GLU 60 9.420 15.650 -7.228 451 H LEU 61 H LEU 61 6.933 14.037 -4.054 452 HA LEU 61 HA LEU 61 6.375 16.786 -4.083 453 1HB LEU 61 2HB LEU 61 4.639 15.091 -3.924 454 2HB LEU 61 1HB LEU 61 5.234 14.591 -2.353 455 HG LEU 61 HG LEU 61 4.639 16.836 -1.458 456 1HD1 LEU 61 1HD1 LEU 61 4.741 18.095 -3.548 457 2HD1 LEU 61 2HD1 LEU 61 3.174 18.285 -2.759 458 3HD1 LEU 61 3HD1 LEU 61 3.336 17.213 -4.149 459 1HD2 LEU 61 1HD2 LEU 61 2.372 15.327 -2.745 460 2HD2 LEU 61 2HD2 LEU 61 2.239 16.436 -1.380 461 3HD2 LEU 61 3HD2 LEU 61 3.135 14.926 -1.206 462 H ILE 62 H ILE 62 7.524 14.694 -1.438 463 HA ILE 62 HA ILE 62 7.668 16.890 0.418 464 HB ILE 62 HB ILE 62 8.578 15.300 2.003 465 1HG1 ILE 62 2HG1 ILE 62 8.628 13.316 -0.288 466 2HG1 ILE 62 1HG1 ILE 62 10.052 14.090 0.402 467 1HG2 ILE 62 1HG2 ILE 62 6.165 15.304 1.656 468 2HG2 ILE 62 2HG2 ILE 62 6.732 13.680 2.036 469 3HG2 ILE 62 3HG2 ILE 62 6.333 14.105 0.372 470 1HD1 ILE 62 1HD1 ILE 62 9.578 13.015 2.547 471 2HD1 ILE 62 2HD1 ILE 62 9.788 11.842 1.247 472 3HD1 ILE 62 3HD1 ILE 62 8.170 12.229 1.833 473 H LYS 63 H LYS 63 9.649 15.713 -2.010 474 HA LYS 63 HA LYS 63 12.169 16.592 -0.921 475 1HB LYS 63 2HB LYS 63 12.299 14.802 -2.442 476 2HB LYS 63 1HB LYS 63 11.210 15.571 -3.582 477 1HG LYS 63 2HG LYS 63 12.995 17.249 -4.043 478 2HG LYS 63 1HG LYS 63 14.078 16.288 -3.026 479 1HD LYS 63 2HD LYS 63 13.920 14.415 -4.463 480 2HD LYS 63 1HD LYS 63 12.565 15.117 -5.345 481 1HE LYS 63 2HE LYS 63 14.137 16.941 -6.078 482 2HE LYS 63 1HE LYS 63 15.449 15.976 -5.396 483 1HZ LYS 63 1HZ LYS 63 14.887 14.179 -6.876 484 2HZ LYS 63 2HZ LYS 63 15.134 15.589 -7.786 485 3HZ LYS 63 3HZ LYS 63 13.556 15.039 -7.485 486 H VAL 64 H VAL 64 9.736 17.808 -3.160 487 HA VAL 64 HA VAL 64 11.284 20.198 -3.722 488 HB VAL 64 HB VAL 64 8.520 19.380 -4.629 489 1HG1 VAL 64 1HG1 VAL 64 8.781 21.808 -4.650 490 2HG1 VAL 64 2HG1 VAL 64 8.703 21.156 -6.288 491 3HG1 VAL 64 3HG1 VAL 64 10.254 21.647 -5.605 492 1HG2 VAL 64 1HG2 VAL 64 10.292 17.911 -5.458 493 2HG2 VAL 64 2HG2 VAL 64 11.150 19.311 -6.106 494 3HG2 VAL 64 3HG2 VAL 64 9.575 18.862 -6.759 495 H ARG 65 H ARG 65 8.246 19.323 -2.114 496 HA ARG 65 HA ARG 65 8.166 22.025 -0.939 497 1HB ARG 65 2HB ARG 65 5.873 20.147 -1.570 498 2HB ARG 65 1HB ARG 65 5.707 21.681 -0.723 499 1HG ARG 65 2HG ARG 65 6.378 22.913 -2.640 500 2HG ARG 65 1HG ARG 65 6.862 21.445 -3.487 501 1HD ARG 65 2HD ARG 65 4.741 22.278 -4.327 502 2HD ARG 65 1HD ARG 65 4.533 20.712 -3.546 503 HE ARG 65 HE ARG 65 3.279 21.714 -1.887 504 1HH1 ARG 65 1HH1 ARG 65 4.737 24.183 -3.923 505 2HH1 ARG 65 2HH1 ARG 65 3.671 25.434 -3.372 506 1HH2 ARG 65 1HH2 ARG 65 1.870 23.353 -1.192 507 2HH2 ARG 65 2HH2 ARG 65 2.035 24.969 -1.826 508 H ARG 66 H ARG 66 6.259 21.516 1.050 509 HA ARG 66 HA ARG 66 7.870 19.820 2.820 510 1HB ARG 66 2HB ARG 66 6.678 22.401 3.167 511 2HB ARG 66 1HB ARG 66 5.987 21.286 4.339 512 1HG ARG 66 2HG ARG 66 7.856 22.299 5.374 513 2HG ARG 66 1HG ARG 66 8.336 20.650 4.968 514 1HD ARG 66 2HD ARG 66 10.130 22.158 4.403 515 2HD ARG 66 1HD ARG 66 9.422 21.520 2.917 516 HE ARG 66 HE ARG 66 8.124 23.917 3.536 517 1HH1 ARG 66 1HH1 ARG 66 11.297 22.812 2.522 518 2HH1 ARG 66 2HH1 ARG 66 11.707 24.326 1.768 519 1HH2 ARG 66 1HH2 ARG 66 8.641 25.864 2.523 520 2HH2 ARG 66 2HH2 ARG 66 10.186 26.057 1.740 521 HA PRO 67 HA PRO 67 4.416 17.001 3.139 522 1HB PRO 67 2HB PRO 67 5.467 15.479 5.118 523 2HB PRO 67 1HB PRO 67 5.967 15.333 3.431 524 1HG PRO 67 2HG PRO 67 7.316 16.752 5.688 525 2HG PRO 67 1HG PRO 67 8.025 15.758 4.402 526 1HD PRO 67 2HD PRO 67 8.037 18.481 4.354 527 2HD PRO 67 1HD PRO 67 8.014 17.482 2.888 528 H LYS 68 H LYS 68 2.621 17.108 4.366 529 HA LYS 68 HA LYS 68 2.754 18.928 6.664 530 1HB LYS 68 2HB LYS 68 0.310 18.044 5.127 531 2HB LYS 68 1HB LYS 68 0.450 19.417 6.220 532 1HG LYS 68 2HG LYS 68 1.747 20.641 4.689 533 2HG LYS 68 1HG LYS 68 2.070 19.217 3.700 534 1HD LYS 68 2HD LYS 68 -0.449 19.144 3.290 535 2HD LYS 68 1HD LYS 68 -0.482 20.777 3.958 536 1HE LYS 68 2HE LYS 68 -0.332 20.776 1.499 537 2HE LYS 68 1HE LYS 68 1.061 21.545 2.261 538 1HZ LYS 68 1HZ LYS 68 1.078 18.702 1.398 539 2HZ LYS 68 2HZ LYS 68 2.402 19.678 1.810 540 3HZ LYS 68 3HZ LYS 68 1.555 19.975 0.371 541 H TYR 69 H TYR 69 1.684 15.735 5.659 542 HA TYR 69 HA TYR 69 0.957 15.158 8.467 543 1HB TYR 69 2HB TYR 69 0.037 13.666 6.007 544 2HB TYR 69 1HB TYR 69 -0.522 13.429 7.655 545 HD1 TYR 69 1HD TYR 69 -0.856 15.375 4.628 546 HD2 TYR 69 2HD TYR 69 -1.969 15.143 8.723 547 HE1 TYR 69 1HE TYR 69 -2.687 16.954 4.210 548 HE2 TYR 69 2HE TYR 69 -3.808 16.727 8.318 549 HH TYR 69 HH TYR 69 -4.872 17.518 5.196 550 H VAL 70 H VAL 70 2.530 13.850 5.579 551 HA VAL 70 HA VAL 70 3.426 11.512 7.085 552 HB VAL 70 HB VAL 70 2.363 11.305 4.820 553 1HG1 VAL 70 1HG1 VAL 70 3.739 11.754 2.838 554 2HG1 VAL 70 2HG1 VAL 70 4.955 12.509 3.870 555 3HG1 VAL 70 3HG1 VAL 70 3.347 13.222 3.734 556 1HG2 VAL 70 1HG2 VAL 70 3.712 9.499 5.758 557 2HG2 VAL 70 2HG2 VAL 70 5.158 10.198 5.029 558 3HG2 VAL 70 3HG2 VAL 70 3.865 9.577 4.003 559 H HIS 71 H HIS 71 5.732 10.757 6.675 560 HA HIS 71 HA HIS 71 7.582 13.044 6.455 561 1HB HIS 71 2HB HIS 71 7.831 10.629 8.259 562 2HB HIS 71 1HB HIS 71 9.108 11.808 7.996 563 HD1 HIS 71 1HD HIS 71 7.799 14.449 8.376 564 HD2 HIS 71 2HD HIS 71 6.796 11.131 10.677 565 HE1 HIS 71 1HE HIS 71 6.785 15.368 10.487 566 HE2 HIS 71 2HE HIS 71 6.356 13.350 11.938 567 H LYS 72 H LYS 72 9.952 11.985 6.129 568 HA LYS 72 HA LYS 72 9.860 11.007 3.468 569 1HB LYS 72 2HB LYS 72 12.197 11.100 5.379 570 2HB LYS 72 1HB LYS 72 12.305 10.876 3.641 571 1HG LYS 72 2HG LYS 72 11.400 13.112 3.290 572 2HG LYS 72 1HG LYS 72 11.271 13.335 5.036 573 1HD LYS 72 2HD LYS 72 13.805 12.895 3.454 574 2HD LYS 72 1HD LYS 72 13.291 14.401 4.218 575 1HE LYS 72 2HE LYS 72 13.474 13.397 6.409 576 2HE LYS 72 1HE LYS 72 13.855 11.831 5.696 577 1HZ LYS 72 1HZ LYS 72 15.525 14.287 5.578 578 2HZ LYS 72 2HZ LYS 72 15.879 12.845 4.757 579 3HZ LYS 72 3HZ LYS 72 15.857 12.870 6.454 580 H GLU 73 H GLU 73 11.080 9.500 6.452 581 HA GLU 73 HA GLU 73 11.852 7.086 5.250 582 1HB GLU 73 2HB GLU 73 11.019 7.416 8.130 583 2HB GLU 73 1HB GLU 73 12.133 6.226 7.467 584 1HG GLU 73 2HG GLU 73 13.687 7.651 8.233 585 2HG GLU 73 1HG GLU 73 13.370 8.494 6.716 586 H GLN 74 H GLN 74 8.809 8.109 6.652 587 HA GLN 74 HA GLN 74 7.517 5.677 6.893 588 1HB GLN 74 2HB GLN 74 6.378 8.354 6.074 589 2HB GLN 74 1HB GLN 74 5.417 6.975 6.570 590 1HG GLN 74 2HG GLN 74 7.433 8.397 8.292 591 2HG GLN 74 1HG GLN 74 5.688 8.624 8.358 592 1HE2 GLN 74 1HE2 GLN 74 5.534 7.974 10.483 593 2HE2 GLN 74 2HE2 GLN 74 5.757 6.336 10.982 594 H ILE 75 H ILE 75 7.579 7.844 4.069 595 HA ILE 75 HA ILE 75 5.927 6.291 2.423 596 HB ILE 75 HB ILE 75 8.124 8.208 1.622 597 1HG1 ILE 75 2HG1 ILE 75 5.151 8.676 1.954 598 2HG1 ILE 75 1HG1 ILE 75 6.380 9.168 3.116 599 1HG2 ILE 75 1HG2 ILE 75 6.880 8.424 -0.489 600 2HG2 ILE 75 2HG2 ILE 75 5.785 7.148 0.039 601 3HG2 ILE 75 3HG2 ILE 75 7.490 6.788 -0.238 602 1HD1 ILE 75 1HD1 ILE 75 7.376 10.609 1.388 603 2HD1 ILE 75 2HD1 ILE 75 5.713 11.046 1.773 604 3HD1 ILE 75 3HD1 ILE 75 6.071 10.159 0.291 605 H GLU 76 H GLU 76 9.417 6.210 2.932 606 HA GLU 76 HA GLU 76 9.855 4.391 0.749 607 1HB GLU 76 2HB GLU 76 11.718 5.136 3.013 608 2HB GLU 76 1HB GLU 76 12.172 4.331 1.517 609 1HG GLU 76 2HG GLU 76 11.314 6.391 0.310 610 2HG GLU 76 1HG GLU 76 11.236 7.162 1.892 611 H ALA 77 H ALA 77 9.399 4.140 4.222 612 HA ALA 77 HA ALA 77 10.084 1.365 4.369 613 1HB ALA 77 1HB ALA 77 8.467 3.015 6.310 614 2HB ALA 77 2HB ALA 77 10.224 2.872 6.315 615 3HB ALA 77 3HB ALA 77 9.224 1.455 6.634 616 H VAL 78 H VAL 78 7.180 3.190 3.726 617 HA VAL 78 HA VAL 78 5.238 1.252 4.186 618 HB VAL 78 HB VAL 78 5.316 3.542 2.230 619 1HG1 VAL 78 1HG1 VAL 78 2.943 3.159 1.772 620 2HG1 VAL 78 2HG1 VAL 78 2.988 1.683 2.736 621 3HG1 VAL 78 3HG1 VAL 78 3.913 1.785 1.238 622 1HG2 VAL 78 1HG2 VAL 78 3.625 4.464 3.739 623 2HG2 VAL 78 2HG2 VAL 78 5.118 4.083 4.596 624 3HG2 VAL 78 3HG2 VAL 78 3.723 3.012 4.735 625 H LYS 79 H LYS 79 7.241 1.768 1.281 626 HA LYS 79 HA LYS 79 5.943 -0.108 -0.347 627 1HB LYS 79 2HB LYS 79 7.674 1.446 -1.213 628 2HB LYS 79 1HB LYS 79 8.908 0.510 -0.371 629 1HG LYS 79 2HG LYS 79 8.186 -1.487 -1.665 630 2HG LYS 79 1HG LYS 79 7.106 -0.444 -2.585 631 1HD LYS 79 2HD LYS 79 9.052 0.861 -3.348 632 2HD LYS 79 1HD LYS 79 10.115 -0.237 -2.459 633 1HE LYS 79 2HE LYS 79 9.179 -2.120 -3.791 634 2HE LYS 79 1HE LYS 79 8.278 -0.946 -4.745 635 1HZ LYS 79 1HZ LYS 79 10.277 -1.562 -5.888 636 2HZ LYS 79 2HZ LYS 79 11.233 -1.168 -4.543 637 3HZ LYS 79 3HZ LYS 79 10.422 0.055 -5.385 638 H ASP 80 H ASP 80 8.690 -0.540 1.851 639 HA ASP 80 HA ASP 80 9.096 -3.282 1.316 640 1HB ASP 80 2HB ASP 80 10.768 -1.781 2.366 641 2HB ASP 80 1HB ASP 80 9.780 -1.727 3.821 642 H ASN 81 H ASN 81 7.080 -1.579 3.625 643 HA ASN 81 HA ASN 81 6.286 -3.930 5.055 644 1HB ASN 81 2HB ASN 81 5.389 -1.071 5.032 645 2HB ASN 81 1HB ASN 81 4.407 -2.285 5.841 646 1HD2 ASN 81 1HD2 ASN 81 7.441 -0.579 5.837 647 2HD2 ASN 81 2HD2 ASN 81 7.915 -1.021 7.441 648 H PHE 82 H PHE 82 4.991 -2.086 2.361 649 HA PHE 82 HA PHE 82 2.449 -3.345 2.316 650 1HB PHE 82 2HB PHE 82 3.016 -1.141 1.251 651 2HB PHE 82 1HB PHE 82 3.889 -2.029 0.007 652 HD1 PHE 82 1HD PHE 82 2.774 -2.277 -1.965 653 HD2 PHE 82 2HD PHE 82 0.535 -2.198 1.650 654 HE1 PHE 82 1HE PHE 82 0.696 -2.515 -3.253 655 HE2 PHE 82 2HE PHE 82 -1.553 -2.434 0.366 656 HZ PHE 82 HZ PHE 82 -1.473 -2.596 -2.091 657 H LEU 83 H LEU 83 5.535 -4.003 0.748 658 HA LEU 83 HA LEU 83 4.669 -6.148 -0.868 659 1HB LEU 83 2HB LEU 83 7.356 -5.634 0.412 660 2HB LEU 83 1HB LEU 83 7.059 -6.856 -0.808 661 HG LEU 83 HG LEU 83 6.743 -3.876 -1.213 662 1HD1 LEU 83 1HD1 LEU 83 9.084 -4.532 -0.976 663 2HD1 LEU 83 2HD1 LEU 83 8.718 -4.075 -2.639 664 3HD1 LEU 83 3HD1 LEU 83 8.866 -5.778 -2.205 665 1HD2 LEU 83 1HD2 LEU 83 6.546 -6.158 -3.173 666 2HD2 LEU 83 2HD2 LEU 83 6.449 -4.441 -3.564 667 3HD2 LEU 83 3HD2 LEU 83 5.197 -5.192 -2.575 668 H GLU 84 H GLU 84 5.886 -5.998 2.451 669 HA GLU 84 HA GLU 84 5.739 -8.744 3.032 670 1HB GLU 84 2HB GLU 84 6.929 -7.163 4.464 671 2HB GLU 84 1HB GLU 84 5.419 -6.353 4.856 672 1HG GLU 84 2HG GLU 84 6.097 -7.770 6.678 673 2HG GLU 84 1HG GLU 84 4.620 -8.395 5.948 674 H LEU 85 H LEU 85 3.373 -6.134 3.300 675 HA LEU 85 HA LEU 85 1.322 -7.440 4.621 676 1HB LEU 85 2HB LEU 85 1.539 -4.988 3.897 677 2HB LEU 85 1HB LEU 85 0.872 -5.499 2.363 678 HG LEU 85 HG LEU 85 -0.592 -5.972 4.954 679 1HD1 LEU 85 1HD1 LEU 85 -0.752 -3.553 3.158 680 2HD1 LEU 85 2HD1 LEU 85 -0.120 -3.586 4.804 681 3HD1 LEU 85 3HD1 LEU 85 -1.829 -3.907 4.508 682 1HD2 LEU 85 1HD2 LEU 85 -1.367 -7.226 3.000 683 2HD2 LEU 85 2HD2 LEU 85 -1.524 -5.722 2.091 684 3HD2 LEU 85 3HD2 LEU 85 -2.553 -6.015 3.493 685 H VAL 86 H VAL 86 1.991 -7.318 1.136 686 HA VAL 86 HA VAL 86 -0.185 -8.896 0.306 687 HB VAL 86 HB VAL 86 2.532 -8.644 -1.007 688 1HG1 VAL 86 1HG1 VAL 86 -0.122 -9.521 -2.141 689 2HG1 VAL 86 2HG1 VAL 86 1.293 -10.541 -1.879 690 3HG1 VAL 86 3HG1 VAL 86 1.347 -9.248 -3.077 691 1HG2 VAL 86 1HG2 VAL 86 0.008 -7.048 -1.438 692 2HG2 VAL 86 2HG2 VAL 86 1.493 -6.898 -2.377 693 3HG2 VAL 86 3HG2 VAL 86 1.484 -6.468 -0.666 694 H LEU 87 H LEU 87 3.135 -9.758 1.186 695 HA LEU 87 HA LEU 87 2.959 -12.492 0.533 696 1HB LEU 87 2HB LEU 87 5.080 -11.290 0.820 697 2HB LEU 87 1HB LEU 87 4.750 -11.111 2.532 698 HG LEU 87 HG LEU 87 4.834 -13.574 2.781 699 1HD1 LEU 87 1HD1 LEU 87 5.765 -14.916 0.952 700 2HD1 LEU 87 2HD1 LEU 87 5.686 -13.509 -0.109 701 3HD1 LEU 87 3HD1 LEU 87 4.202 -14.216 0.532 702 1HD2 LEU 87 1HD2 LEU 87 6.805 -12.161 3.189 703 2HD2 LEU 87 2HD2 LEU 87 7.296 -12.386 1.508 704 3HD2 LEU 87 3HD2 LEU 87 7.238 -13.768 2.604 705 H GLN 88 H GLN 88 2.615 -10.813 3.660 706 HA GLN 88 HA GLN 88 2.169 -13.159 5.174 707 1HB GLN 88 2HB GLN 88 1.377 -11.645 6.949 708 2HB GLN 88 1HB GLN 88 2.896 -11.106 6.245 709 1HG GLN 88 2HG GLN 88 1.731 -9.431 4.946 710 2HG GLN 88 1HG GLN 88 0.181 -10.001 5.560 711 1HE2 GLN 88 1HE2 GLN 88 -0.270 -7.953 6.387 712 2HE2 GLN 88 2HE2 GLN 88 0.491 -7.365 7.822 713 H SER 89 H SER 89 0.087 -11.254 3.182 714 HA SER 89 HA SER 89 -2.391 -12.071 4.291 715 1HB SER 89 2HB SER 89 -2.031 -10.135 2.694 716 2HB SER 89 1HB SER 89 -1.862 -11.322 1.402 717 HG SER 89 HG SER 89 -4.140 -10.714 2.963 718 H TYR 90 H TYR 90 -0.109 -13.544 2.111 719 HA TYR 90 HA TYR 90 -1.997 -15.663 1.417 720 1HB TYR 90 2HB TYR 90 0.804 -15.109 0.422 721 2HB TYR 90 1HB TYR 90 -0.199 -16.450 -0.117 722 HD1 TYR 90 1HD TYR 90 -2.783 -15.368 -0.613 723 HD2 TYR 90 2HD TYR 90 1.006 -13.534 -1.240 724 HE1 TYR 90 1HE TYR 90 -3.768 -13.942 -2.354 725 HE2 TYR 90 2HE TYR 90 0.028 -12.097 -2.980 726 HH TYR 90 HH TYR 90 -3.303 -11.761 -3.436 727 H VAL 91 H VAL 91 1.347 -15.444 2.695 728 HA VAL 91 HA VAL 91 1.256 -18.263 3.367 729 HB VAL 91 HB VAL 91 3.587 -17.998 4.093 730 1HG1 VAL 91 1HG1 VAL 91 3.117 -18.490 1.760 731 2HG1 VAL 91 2HG1 VAL 91 4.536 -17.451 1.899 732 3HG1 VAL 91 3HG1 VAL 91 2.988 -16.766 1.405 733 1HG2 VAL 91 1HG2 VAL 91 3.207 -15.098 3.360 734 2HG2 VAL 91 2HG2 VAL 91 4.747 -15.865 3.748 735 3HG2 VAL 91 3HG2 VAL 91 3.489 -15.742 4.978 736 H HIS 92 H HIS 92 0.617 -15.328 4.986 737 HA HIS 92 HA HIS 92 -0.106 -14.853 7.090 738 1HB HIS 92 2HB HIS 92 -0.437 -17.849 7.370 739 2HB HIS 92 1HB HIS 92 -1.227 -16.614 8.342 740 HD1 HIS 92 1HD HIS 92 -2.261 -18.899 6.059 741 HD2 HIS 92 2HD HIS 92 -2.527 -14.753 6.061 742 HE1 HIS 92 1HE HIS 92 -4.138 -18.344 4.484 743 HE2 HIS 92 2HE HIS 92 -4.092 -15.830 4.313 744 H HIS 93 H HIS 93 2.763 -15.263 6.753 745 HA HIS 93 HA HIS 93 3.654 -16.851 8.997 746 1HB HIS 93 2HB HIS 93 5.869 -16.519 8.199 747 2HB HIS 93 1HB HIS 93 4.857 -16.753 6.783 748 HD1 HIS 93 1HD HIS 93 7.657 -14.956 7.576 749 HD2 HIS 93 2HD HIS 93 3.986 -13.777 6.021 750 HE1 HIS 93 1HE HIS 93 8.092 -12.786 6.385 751 HE2 HIS 93 2HE HIS 93 5.832 -12.009 5.577 752 H ILE 94 H ILE 94 2.049 -14.635 9.746 753 HA ILE 94 HA ILE 94 4.001 -13.117 11.333 754 HB ILE 94 HB ILE 94 2.257 -11.206 11.211 755 1HG1 ILE 94 2HG1 ILE 94 1.186 -11.102 8.911 756 2HG1 ILE 94 1HG1 ILE 94 1.559 -12.811 8.741 757 1HG2 ILE 94 1HG2 ILE 94 4.053 -11.878 8.884 758 2HG2 ILE 94 2HG2 ILE 94 4.509 -11.030 10.361 759 3HG2 ILE 94 3HG2 ILE 94 3.386 -10.282 9.227 760 1HD1 ILE 94 1HD1 ILE 94 0.159 -13.296 10.694 761 2HD1 ILE 94 2HD1 ILE 94 -0.742 -12.512 9.397 762 3HD1 ILE 94 3HD1 ILE 94 -0.247 -11.583 10.813 763 H HIS 95 H HIS 95 2.072 -15.446 11.646 764 HA HIS 95 HA HIS 95 0.628 -16.355 13.093 765 1HB HIS 95 2HB HIS 95 2.397 -15.489 14.707 766 2HB HIS 95 1HB HIS 95 1.285 -14.168 15.057 767 HD1 HIS 95 1HD HIS 95 1.242 -15.150 17.549 768 HD2 HIS 95 2HD HIS 95 -0.416 -17.599 14.617 769 HE1 HIS 95 1HE HIS 95 -0.093 -16.894 18.785 770 HE2 HIS 95 2HE HIS 95 -0.950 -18.457 16.996 771 H LYS 96 H LYS 96 0.113 -12.929 14.062 772 HA LYS 96 HA LYS 96 -2.457 -12.870 12.776 773 1HB LYS 96 2HB LYS 96 -2.493 -14.232 15.118 774 2HB LYS 96 1HB LYS 96 -2.790 -12.603 15.704 775 1HG LYS 96 2HG LYS 96 -4.412 -13.958 13.563 776 2HG LYS 96 1HG LYS 96 -4.844 -13.914 15.271 777 1HD LYS 96 2HD LYS 96 -4.935 -11.469 15.184 778 2HD LYS 96 1HD LYS 96 -4.498 -11.513 13.474 779 1HE LYS 96 2HE LYS 96 -6.531 -12.704 12.944 780 2HE LYS 96 1HE LYS 96 -6.953 -12.813 14.652 781 1HZ LYS 96 1HZ LYS 96 -8.191 -11.057 13.622 782 2HZ LYS 96 2HZ LYS 96 -6.782 -10.333 13.027 783 3HZ LYS 96 3HZ LYS 96 -7.074 -10.373 14.697 784 H LYS 97 H LYS 97 -0.612 -11.463 15.493 785 HA LYS 97 HA LYS 97 -2.053 -9.024 15.474 786 1HB LYS 97 2HB LYS 97 -0.807 -9.985 17.430 787 2HB LYS 97 1HB LYS 97 0.689 -9.503 16.644 788 1HG LYS 97 2HG LYS 97 -0.192 -7.149 16.646 789 2HG LYS 97 1HG LYS 97 -1.504 -7.727 17.677 790 1HD LYS 97 2HD LYS 97 0.209 -8.562 19.279 791 2HD LYS 97 1HD LYS 97 1.450 -7.801 18.281 792 1HE LYS 97 2HE LYS 97 0.970 -6.296 20.053 793 2HE LYS 97 1HE LYS 97 0.228 -5.627 18.600 794 1HZ LYS 97 1HZ LYS 97 -1.174 -7.146 20.737 795 2HZ LYS 97 2HZ LYS 97 -1.905 -6.535 19.334 796 3HZ LYS 97 3HZ LYS 97 -1.258 -5.471 20.489 797 H ARG 98 H ARG 98 1.063 -9.966 14.089 798 HA ARG 98 HA ARG 98 1.967 -7.402 13.419 799 1HB ARG 98 2HB ARG 98 2.601 -10.141 12.403 800 2HB ARG 98 1HB ARG 98 3.240 -8.738 11.559 801 1HG ARG 98 2HG ARG 98 4.257 -7.985 13.701 802 2HG ARG 98 1HG ARG 98 3.725 -9.504 14.432 803 1HD ARG 98 2HD ARG 98 5.087 -10.782 12.949 804 2HD ARG 98 1HD ARG 98 5.447 -9.366 11.965 805 HE ARG 98 HE ARG 98 6.312 -9.215 14.732 806 1HH1 ARG 98 1HH1 ARG 98 7.175 -10.047 11.434 807 2HH1 ARG 98 2HH1 ARG 98 8.878 -9.878 11.708 808 1HH2 ARG 98 1HH2 ARG 98 8.561 -8.981 15.075 809 2HH2 ARG 98 2HH2 ARG 98 9.665 -9.283 13.765 810 H PHE 99 H PHE 99 -0.332 -9.480 11.809 811 HA PHE 99 HA PHE 99 -0.228 -8.356 9.239 812 1HB PHE 99 2HB PHE 99 -1.465 -10.455 9.875 813 2HB PHE 99 1HB PHE 99 -2.701 -9.440 10.613 814 HD1 PHE 99 1HD PHE 99 -1.268 -10.651 7.493 815 HD2 PHE 99 2HD PHE 99 -4.181 -8.073 9.225 816 HE1 PHE 99 1HE PHE 99 -2.390 -10.458 5.315 817 HE2 PHE 99 2HE PHE 99 -5.305 -7.878 7.046 818 HZ PHE 99 HZ PHE 99 -4.409 -9.071 5.089 819 H LYS 100 H LYS 100 -2.026 -7.448 12.125 820 HA LYS 100 HA LYS 100 -3.574 -5.409 10.911 821 1HB LYS 100 2HB LYS 100 -4.219 -6.442 13.035 822 2HB LYS 100 1HB LYS 100 -2.772 -5.806 13.801 823 1HG LYS 100 2HG LYS 100 -3.632 -3.500 13.235 824 2HG LYS 100 1HG LYS 100 -5.158 -4.277 12.807 825 1HD LYS 100 2HD LYS 100 -5.358 -5.177 15.054 826 2HD LYS 100 1HD LYS 100 -3.793 -4.490 15.488 827 1HE LYS 100 2HE LYS 100 -4.717 -2.231 15.016 828 2HE LYS 100 1HE LYS 100 -6.292 -2.977 14.749 829 1HZ LYS 100 1HZ LYS 100 -6.191 -3.840 17.029 830 2HZ LYS 100 2HZ LYS 100 -6.160 -2.148 16.986 831 3HZ LYS 100 3HZ LYS 100 -4.730 -3.010 17.274 832 H ASP 101 H ASP 101 -0.657 -5.299 12.922 833 HA ASP 101 HA ASP 101 -0.400 -2.524 13.074 834 1HB ASP 101 2HB ASP 101 0.838 -4.162 14.473 835 2HB ASP 101 1HB ASP 101 1.826 -4.575 13.082 836 H ILE 102 H ILE 102 1.074 -4.781 10.767 837 HA ILE 102 HA ILE 102 2.504 -2.834 9.320 838 HB ILE 102 HB ILE 102 1.494 -5.544 8.454 839 1HG1 ILE 102 2HG1 ILE 102 4.213 -4.555 9.339 840 2HG1 ILE 102 1HG1 ILE 102 3.118 -5.552 10.292 841 1HG2 ILE 102 1HG2 ILE 102 3.443 -3.716 7.044 842 2HG2 ILE 102 2HG2 ILE 102 1.825 -4.142 6.486 843 3HG2 ILE 102 3HG2 ILE 102 3.076 -5.380 6.587 844 1HD1 ILE 102 1HD1 ILE 102 3.342 -7.337 8.616 845 2HD1 ILE 102 2HD1 ILE 102 4.878 -6.904 9.367 846 3HD1 ILE 102 3HD1 ILE 102 4.502 -6.341 7.737 847 H THR 103 H THR 103 -0.756 -4.185 8.819 848 HA THR 103 HA THR 103 -1.332 -2.743 6.468 849 HB THR 103 HB THR 103 -3.296 -3.635 8.592 850 HG1 THR 103 1HG THR 103 -2.317 -5.482 7.973 851 1HG2 THR 103 1HG2 THR 103 -4.282 -2.094 6.977 852 2HG2 THR 103 2HG2 THR 103 -4.893 -3.727 6.712 853 3HG2 THR 103 3HG2 THR 103 -3.656 -3.066 5.644 854 H GLU 104 H GLU 104 -1.833 -2.023 9.883 855 HA GLU 104 HA GLU 104 -3.140 0.435 9.634 856 1HB GLU 104 2HB GLU 104 -1.412 -0.787 11.770 857 2HB GLU 104 1HB GLU 104 -2.072 0.826 11.961 858 1HG GLU 104 2HG GLU 104 -3.665 -1.686 11.518 859 2HG GLU 104 1HG GLU 104 -3.445 -0.859 13.059 860 H SER 105 H SER 105 0.325 -0.306 9.930 861 HA SER 105 HA SER 105 1.287 2.315 9.933 862 1HB SER 105 2HB SER 105 2.585 -0.167 8.778 863 2HB SER 105 1HB SER 105 3.421 1.338 9.160 864 HG SER 105 HG SER 105 2.106 -0.415 10.977 865 H VAL 106 H VAL 106 0.567 0.157 7.209 866 HA VAL 106 HA VAL 106 1.443 1.977 5.204 867 HB VAL 106 HB VAL 106 -0.501 -0.331 4.972 868 1HG1 VAL 106 1HG1 VAL 106 0.981 1.192 2.835 869 2HG1 VAL 106 2HG1 VAL 106 -0.763 1.185 3.104 870 3HG1 VAL 106 3HG1 VAL 106 0.053 -0.286 2.576 871 1HG2 VAL 106 1HG2 VAL 106 1.678 -1.047 5.768 872 2HG2 VAL 106 2HG2 VAL 106 2.465 -0.182 4.448 873 3HG2 VAL 106 3HG2 VAL 106 1.435 -1.570 4.100 874 H LEU 107 H LEU 107 -1.812 1.118 6.393 875 HA LEU 107 HA LEU 107 -3.233 2.863 4.723 876 1HB LEU 107 2HB LEU 107 -3.873 1.593 7.362 877 2HB LEU 107 1HB LEU 107 -5.002 2.686 6.587 878 HG LEU 107 HG LEU 107 -3.972 0.101 5.401 879 1HD1 LEU 107 1HD1 LEU 107 -5.476 -0.271 7.277 880 2HD1 LEU 107 2HD1 LEU 107 -6.253 -0.701 5.754 881 3HD1 LEU 107 3HD1 LEU 107 -6.662 0.817 6.556 882 1HD2 LEU 107 1HD2 LEU 107 -4.456 1.763 3.689 883 2HD2 LEU 107 2HD2 LEU 107 -6.045 2.049 4.399 884 3HD2 LEU 107 3HD2 LEU 107 -5.671 0.483 3.677 885 H TYR 108 H TYR 108 -1.852 3.374 7.937 886 HA TYR 108 HA TYR 108 -2.985 5.881 8.485 887 1HB TYR 108 2HB TYR 108 -1.562 4.310 9.981 888 2HB TYR 108 1HB TYR 108 -0.179 5.143 9.286 889 HD1 TYR 108 1HD TYR 108 0.366 7.403 9.945 890 HD2 TYR 108 2HD TYR 108 -3.141 5.501 11.427 891 HE1 TYR 108 1HE TYR 108 0.141 9.160 11.651 892 HE2 TYR 108 2HE TYR 108 -3.379 7.256 13.129 893 HH TYR 108 HH TYR 108 -1.582 10.162 13.062 894 H THR 109 H THR 109 -0.035 4.983 6.778 895 HA THR 109 HA THR 109 0.826 7.631 6.232 896 HB THR 109 HB THR 109 1.511 5.090 4.737 897 HG1 THR 109 1HG THR 109 2.146 4.682 6.788 898 1HG2 THR 109 1HG2 THR 109 2.191 7.123 3.563 899 2HG2 THR 109 2HG2 THR 109 3.598 6.267 4.194 900 3HG2 THR 109 3HG2 THR 109 2.997 7.706 5.019 901 H LEU 110 H LEU 110 -1.094 5.245 4.453 902 HA LEU 110 HA LEU 110 -1.312 6.638 2.030 903 1HB LEU 110 2HB LEU 110 -3.205 4.696 3.348 904 2HB LEU 110 1HB LEU 110 -3.385 5.272 1.702 905 HG LEU 110 HG LEU 110 -1.034 3.689 2.743 906 1HD1 LEU 110 1HD1 LEU 110 -3.335 2.873 0.978 907 2HD1 LEU 110 2HD1 LEU 110 -3.044 2.331 2.632 908 3HD1 LEU 110 3HD1 LEU 110 -1.924 1.883 1.344 909 1HD2 LEU 110 1HD2 LEU 110 -1.738 4.572 -0.053 910 2HD2 LEU 110 2HD2 LEU 110 -0.370 3.554 0.401 911 3HD2 LEU 110 3HD2 LEU 110 -0.439 5.232 0.939 912 H HIS 111 H HIS 111 -3.273 6.764 4.971 913 HA HIS 111 HA HIS 111 -5.263 8.530 4.118 914 1HB HIS 111 2HB HIS 111 -3.988 7.977 6.772 915 2HB HIS 111 1HB HIS 111 -5.081 9.346 6.618 916 HD1 HIS 111 1HD HIS 111 -7.259 8.725 7.532 917 HD2 HIS 111 2HD HIS 111 -5.526 5.564 5.454 918 HE1 HIS 111 1HE HIS 111 -8.925 6.844 7.643 919 HE2 HIS 111 2HE HIS 111 -7.753 4.879 6.584 920 H ALA 112 H ALA 112 -2.044 9.147 5.389 921 HA ALA 112 HA ALA 112 -2.245 11.946 5.569 922 1HB ALA 112 1HB ALA 112 -0.553 10.666 6.766 923 2HB ALA 112 2HB ALA 112 0.198 11.900 5.753 924 3HB ALA 112 3HB ALA 112 0.202 10.214 5.238 925 H VAL 113 H VAL 113 -0.916 9.847 3.029 926 HA VAL 113 HA VAL 113 0.047 12.028 1.453 927 HB VAL 113 HB VAL 113 -0.376 9.137 0.654 928 1HG1 VAL 113 1HG1 VAL 113 1.271 9.623 -1.111 929 2HG1 VAL 113 2HG1 VAL 113 1.254 11.323 -0.636 930 3HG1 VAL 113 3HG1 VAL 113 -0.203 10.574 -1.289 931 1HG2 VAL 113 1HG2 VAL 113 2.009 8.868 1.103 932 2HG2 VAL 113 2HG2 VAL 113 1.146 9.375 2.556 933 3HG2 VAL 113 3HG2 VAL 113 2.104 10.543 1.646 934 H LYS 114 H LYS 114 -2.839 10.067 1.516 935 HA LYS 114 HA LYS 114 -4.002 10.794 -0.912 936 1HB LYS 114 2HB LYS 114 -4.769 9.033 0.742 937 2HB LYS 114 1HB LYS 114 -5.455 10.329 1.698 938 1HG LYS 114 2HG LYS 114 -6.240 9.795 -1.158 939 2HG LYS 114 1HG LYS 114 -7.049 9.053 0.218 940 1HD LYS 114 2HD LYS 114 -6.824 12.022 -0.288 941 2HD LYS 114 1HD LYS 114 -8.245 11.035 -0.626 942 1HE LYS 114 2HE LYS 114 -8.429 10.488 1.754 943 2HE LYS 114 1HE LYS 114 -7.002 11.467 2.086 944 1HZ LYS 114 1HZ LYS 114 -9.592 12.460 1.012 945 2HZ LYS 114 2HZ LYS 114 -8.215 13.414 1.261 946 3HZ LYS 114 3HZ LYS 114 -8.996 12.699 2.581 947 H ASP 115 H ASP 115 -4.181 12.342 2.292 948 HA ASP 115 HA ASP 115 -5.933 14.405 1.432 949 1HB ASP 115 2HB ASP 115 -5.487 13.632 3.846 950 2HB ASP 115 1HB ASP 115 -4.062 14.666 3.778 951 H GLU 116 H GLU 116 -2.429 14.140 1.700 952 HA GLU 116 HA GLU 116 -1.655 16.754 1.213 953 1HB GLU 116 2HB GLU 116 -0.382 14.192 0.219 954 2HB GLU 116 1HB GLU 116 0.399 15.762 0.199 955 1HG GLU 116 2HG GLU 116 -0.615 14.612 2.759 956 2HG GLU 116 1HG GLU 116 0.926 14.089 2.086 957 H ILE 117 H ILE 117 -2.234 14.174 -1.164 958 HA ILE 117 HA ILE 117 -1.639 15.655 -3.460 959 HB ILE 117 HB ILE 117 -3.586 13.356 -3.201 960 1HG1 ILE 117 2HG1 ILE 117 -0.652 13.326 -3.940 961 2HG1 ILE 117 1HG1 ILE 117 -1.283 12.899 -2.352 962 1HG2 ILE 117 1HG2 ILE 117 -3.853 14.582 -5.299 963 2HG2 ILE 117 2HG2 ILE 117 -3.169 12.980 -5.576 964 3HG2 ILE 117 3HG2 ILE 117 -2.129 14.405 -5.626 965 1HD1 ILE 117 1HD1 ILE 117 -0.818 10.907 -3.624 966 2HD1 ILE 117 2HD1 ILE 117 -1.845 11.475 -4.941 967 3HD1 ILE 117 3HD1 ILE 117 -2.558 11.065 -3.382 968 H ALA 118 H ALA 118 -4.756 15.117 -1.839 969 HA ALA 118 HA ALA 118 -6.200 16.716 -3.744 970 1HB ALA 118 1HB ALA 118 -8.127 16.347 -2.297 971 2HB ALA 118 2HB ALA 118 -7.077 15.668 -1.052 972 3HB ALA 118 3HB ALA 118 -7.268 14.836 -2.596 973 H ARG 119 H ARG 119 -4.351 17.397 -0.953 974 HA ARG 119 HA ARG 119 -5.734 19.867 -0.326 975 1HB ARG 119 2HB ARG 119 -4.671 18.476 1.456 976 2HB ARG 119 1HB ARG 119 -3.102 18.826 0.752 977 1HG ARG 119 2HG ARG 119 -3.308 21.147 1.259 978 2HG ARG 119 1HG ARG 119 -4.989 20.946 1.748 979 1HD ARG 119 2HD ARG 119 -4.299 19.580 3.634 980 2HD ARG 119 1HD ARG 119 -2.614 19.699 3.129 981 HE ARG 119 HE ARG 119 -3.233 22.271 3.399 982 1HH1 ARG 119 1HH1 ARG 119 -3.939 19.575 5.548 983 2HH1 ARG 119 2HH1 ARG 119 -3.921 20.568 6.971 984 1HH2 ARG 119 1HH2 ARG 119 -3.204 23.545 5.273 985 2HH2 ARG 119 2HH2 ARG 119 -3.481 22.805 6.830 986 H GLU 120 H GLU 120 -2.753 18.826 -1.874 987 HA GLU 120 HA GLU 120 -1.697 21.450 -2.216 988 1HB GLU 120 2HB GLU 120 -0.625 18.984 -2.374 989 2HB GLU 120 1HB GLU 120 -0.886 19.306 -4.081 990 1HG GLU 120 2HG GLU 120 1.342 19.950 -3.490 991 2HG GLU 120 1HG GLU 120 0.400 21.393 -3.860 992 H ASP 121 H ASP 121 -3.683 19.299 -4.154 993 HA ASP 121 HA ASP 121 -4.475 21.595 -5.778 994 1HB ASP 121 2HB ASP 121 -2.767 20.464 -7.136 995 2HB ASP 121 1HB ASP 121 -3.629 18.937 -6.962 996 H SER 122 H SER 122 -6.627 21.696 -5.901 997 HA SER 122 HA SER 122 -8.137 19.281 -5.165 998 1HB SER 122 2HB SER 122 -8.954 22.179 -4.826 999 2HB SER 122 1HB SER 122 -9.849 20.766 -4.261 1000 HG SER 122 HG SER 122 -7.629 20.342 -3.170 1001 H ARG 123 H ARG 123 -9.760 18.565 -6.454 1002 HA ARG 123 HA ARG 123 -10.597 20.182 -8.752 1003 1HB ARG 123 2HB ARG 123 -9.698 17.299 -8.984 1004 2HB ARG 123 1HB ARG 123 -10.316 18.301 -10.289 1005 1HG ARG 123 2HG ARG 123 -8.372 19.781 -10.049 1006 2HG ARG 123 1HG ARG 123 -7.743 18.724 -8.784 1007 1HD ARG 123 2HD ARG 123 -7.761 16.857 -10.435 1008 2HD ARG 123 1HD ARG 123 -8.213 18.025 -11.677 1009 HE ARG 123 HE ARG 123 -5.818 18.697 -10.184 1010 1HH1 ARG 123 1HH1 ARG 123 -7.149 17.125 -13.038 1011 2HH1 ARG 123 2HH1 ARG 123 -5.633 17.133 -13.897 1012 1HH2 ARG 123 1HH2 ARG 123 -3.845 18.720 -11.328 1013 2HH2 ARG 123 2HH2 ARG 123 -3.767 18.055 -12.933 Start of MODEL 6 1 1H MET 1 1HT MET 1 0.892 21.488 -20.773 2 2H MET 1 2HT MET 1 -0.278 22.481 -20.057 3 3H MET 1 3HT MET 1 -0.476 21.965 -21.658 4 HA MET 1 HA MET 1 -1.919 20.699 -20.284 5 1HB MET 1 2HB MET 1 0.526 19.132 -21.136 6 2HB MET 1 1HB MET 1 -0.995 18.400 -20.652 7 1HG MET 1 2HG MET 1 -0.932 18.409 -23.017 8 2HG MET 1 1HG MET 1 -2.095 19.636 -22.521 9 1HE MET 1 1HE MET 1 -2.033 20.672 -24.972 10 2HE MET 1 2HE MET 1 -0.872 19.436 -25.458 11 3HE MET 1 3HE MET 1 -0.544 21.135 -25.795 12 H LEU 2 H LEU 2 -2.408 20.300 -18.242 13 HA LEU 2 HA LEU 2 -0.211 19.670 -16.380 14 1HB LEU 2 2HB LEU 2 -2.908 20.914 -15.830 15 2HB LEU 2 1HB LEU 2 -1.764 20.438 -14.589 16 HG LEU 2 HG LEU 2 -1.279 22.550 -16.692 17 1HD1 LEU 2 1HD1 LEU 2 -1.426 24.127 -14.839 18 2HD1 LEU 2 2HD1 LEU 2 -1.826 22.809 -13.737 19 3HD1 LEU 2 3HD1 LEU 2 -2.936 23.238 -15.039 20 1HD2 LEU 2 1HD2 LEU 2 0.775 21.430 -16.045 21 2HD2 LEU 2 2HD2 LEU 2 0.392 21.668 -14.339 22 3HD2 LEU 2 3HD2 LEU 2 0.727 23.059 -15.370 23 H SER 3 H SER 3 -0.151 17.477 -16.540 24 HA SER 3 HA SER 3 -2.487 16.067 -15.511 25 1HB SER 3 2HB SER 3 -1.115 15.258 -18.089 26 2HB SER 3 1HB SER 3 -2.427 14.386 -17.293 27 HG SER 3 HG SER 3 -3.253 16.865 -17.553 28 H GLN 4 H GLN 4 -1.300 15.735 -13.648 29 HA GLN 4 HA GLN 4 0.815 13.706 -13.906 30 1HB GLN 4 2HB GLN 4 0.664 15.863 -11.788 31 2HB GLN 4 1HB GLN 4 1.918 14.640 -11.940 32 1HG GLN 4 2HG GLN 4 1.348 16.805 -13.950 33 2HG GLN 4 1HG GLN 4 2.631 16.847 -12.743 34 1HE2 GLN 4 1HE2 GLN 4 2.764 16.934 -15.663 35 2HE2 GLN 4 2HE2 GLN 4 3.788 15.615 -16.129 36 H THR 5 H THR 5 -0.459 11.935 -13.475 37 HA THR 5 HA THR 5 -2.434 12.015 -11.387 38 HB THR 5 HB THR 5 -2.680 9.567 -11.865 39 HG1 THR 5 1HG THR 5 -1.295 8.588 -13.118 40 1HG2 THR 5 1HG2 THR 5 -3.641 9.890 -14.113 41 2HG2 THR 5 2HG2 THR 5 -2.824 11.450 -14.217 42 3HG2 THR 5 3HG2 THR 5 -4.077 11.190 -13.002 43 H LEU 6 H LEU 6 -1.965 11.904 -9.332 44 HA LEU 6 HA LEU 6 0.424 10.390 -8.478 45 1HB LEU 6 2HB LEU 6 0.577 12.864 -8.229 46 2HB LEU 6 1HB LEU 6 -0.821 12.815 -7.174 47 HG LEU 6 HG LEU 6 0.501 11.357 -5.615 48 1HD1 LEU 6 1HD1 LEU 6 2.928 11.333 -5.868 49 2HD1 LEU 6 2HD1 LEU 6 2.777 12.151 -7.421 50 3HD1 LEU 6 3HD1 LEU 6 2.132 10.524 -7.214 51 1HD2 LEU 6 1HD2 LEU 6 1.619 14.092 -6.216 52 2HD2 LEU 6 2HD2 LEU 6 1.824 13.203 -4.707 53 3HD2 LEU 6 3HD2 LEU 6 0.219 13.739 -5.204 54 H LEU 7 H LEU 7 -2.943 11.035 -8.043 55 HA LEU 7 HA LEU 7 -3.220 9.920 -5.449 56 1HB LEU 7 2HB LEU 7 -4.783 11.545 -6.500 57 2HB LEU 7 1HB LEU 7 -5.325 10.276 -7.576 58 HG LEU 7 HG LEU 7 -6.127 8.992 -5.614 59 1HD1 LEU 7 1HD1 LEU 7 -6.310 10.102 -3.452 60 2HD1 LEU 7 2HD1 LEU 7 -5.416 11.487 -4.080 61 3HD1 LEU 7 3HD1 LEU 7 -4.622 9.918 -3.931 62 1HD2 LEU 7 1HD2 LEU 7 -7.227 11.791 -5.810 63 2HD2 LEU 7 2HD2 LEU 7 -8.073 10.377 -5.180 64 3HD2 LEU 7 3HD2 LEU 7 -7.630 10.453 -6.886 65 H GLU 8 H GLU 8 -3.427 8.588 -8.685 66 HA GLU 8 HA GLU 8 -4.931 6.325 -8.263 67 1HB GLU 8 2HB GLU 8 -3.701 5.363 -10.204 68 2HB GLU 8 1HB GLU 8 -4.304 6.987 -10.482 69 1HG GLU 8 2HG GLU 8 -2.169 7.927 -10.348 70 2HG GLU 8 1HG GLU 8 -1.489 6.488 -9.590 71 H MET 9 H MET 9 -1.381 6.613 -7.802 72 HA MET 9 HA MET 9 -0.985 3.884 -7.230 73 1HB MET 9 2HB MET 9 0.634 6.266 -6.307 74 2HB MET 9 1HB MET 9 1.135 4.590 -6.148 75 1HG MET 9 2HG MET 9 2.245 5.134 -8.038 76 2HG MET 9 1HG MET 9 0.732 4.585 -8.751 77 1HE MET 9 1HE MET 9 2.942 7.637 -7.767 78 2HE MET 9 2HE MET 9 1.478 7.964 -6.839 79 3HE MET 9 3HE MET 9 1.913 9.001 -8.199 80 H THR 10 H THR 10 -1.645 6.654 -5.161 81 HA THR 10 HA THR 10 -1.509 5.298 -2.699 82 HB THR 10 HB THR 10 -3.242 7.696 -3.338 83 HG1 THR 10 1HG THR 10 -1.425 8.713 -3.668 84 1HG2 THR 10 1HG2 THR 10 -2.848 8.277 -0.985 85 2HG2 THR 10 2HG2 THR 10 -1.914 6.795 -0.775 86 3HG2 THR 10 3HG2 THR 10 -3.638 6.706 -1.134 87 H GLU 11 H GLU 11 -4.276 6.160 -4.767 88 HA GLU 11 HA GLU 11 -6.319 5.002 -3.311 89 1HB GLU 11 2HB GLU 11 -5.936 5.401 -6.269 90 2HB GLU 11 1HB GLU 11 -7.435 4.781 -5.605 91 1HG GLU 11 2HG GLU 11 -6.173 7.457 -5.136 92 2HG GLU 11 1HG GLU 11 -7.710 7.108 -5.925 93 H GLN 12 H GLN 12 -4.394 3.531 -5.909 94 HA GLN 12 HA GLN 12 -5.555 0.995 -5.846 95 1HB GLN 12 2HB GLN 12 -3.284 2.253 -7.055 96 2HB GLN 12 1HB GLN 12 -2.797 0.693 -6.412 97 1HG GLN 12 2HG GLN 12 -5.115 1.138 -8.277 98 2HG GLN 12 1HG GLN 12 -3.506 0.608 -8.765 99 1HE2 GLN 12 1HE2 GLN 12 -2.809 -1.452 -8.216 100 2HE2 GLN 12 2HE2 GLN 12 -3.910 -2.692 -7.737 101 H MET 13 H MET 13 -2.717 2.248 -4.095 102 HA MET 13 HA MET 13 -2.096 -0.165 -2.782 103 1HB MET 13 2HB MET 13 -0.526 1.718 -2.989 104 2HB MET 13 1HB MET 13 -1.523 2.668 -1.895 105 1HG MET 13 2HG MET 13 -1.060 1.159 -0.083 106 2HG MET 13 1HG MET 13 -0.193 0.070 -1.165 107 1HE MET 13 1HE MET 13 1.459 2.072 -2.981 108 2HE MET 13 2HE MET 13 2.157 0.622 -2.261 109 3HE MET 13 3HE MET 13 2.975 2.178 -2.087 110 H ILE 14 H ILE 14 -4.256 2.495 -1.925 111 HA ILE 14 HA ILE 14 -4.808 1.661 0.721 112 HB ILE 14 HB ILE 14 -6.498 3.275 -1.198 113 1HG1 ILE 14 2HG1 ILE 14 -4.796 4.119 1.156 114 2HG1 ILE 14 1HG1 ILE 14 -4.343 4.294 -0.535 115 1HG2 ILE 14 1HG2 ILE 14 -6.891 2.850 1.758 116 2HG2 ILE 14 2HG2 ILE 14 -7.921 2.220 0.473 117 3HG2 ILE 14 3HG2 ILE 14 -7.814 3.961 0.745 118 1HD1 ILE 14 1HD1 ILE 14 -6.667 5.641 0.825 119 2HD1 ILE 14 2HD1 ILE 14 -6.230 5.812 -0.876 120 3HD1 ILE 14 3HD1 ILE 14 -5.135 6.394 0.379 121 H GLU 15 H GLU 15 -6.557 1.100 -2.335 122 HA GLU 15 HA GLU 15 -8.595 -0.453 -1.117 123 1HB GLU 15 2HB GLU 15 -8.758 0.740 -3.330 124 2HB GLU 15 1HB GLU 15 -7.761 -0.536 -4.017 125 1HG GLU 15 2HG GLU 15 -9.432 -2.191 -3.427 126 2HG GLU 15 1HG GLU 15 -10.424 -0.939 -2.682 127 H VAL 16 H VAL 16 -5.545 -1.307 -2.723 128 HA VAL 16 HA VAL 16 -5.920 -4.103 -2.595 129 HB VAL 16 HB VAL 16 -3.352 -2.500 -2.610 130 1HG1 VAL 16 1HG1 VAL 16 -2.918 -4.676 -1.625 131 2HG1 VAL 16 2HG1 VAL 16 -2.242 -4.600 -3.253 132 3HG1 VAL 16 3HG1 VAL 16 -3.749 -5.470 -2.963 133 1HG2 VAL 16 1HG2 VAL 16 -3.236 -3.178 -4.959 134 2HG2 VAL 16 2HG2 VAL 16 -4.708 -2.261 -4.629 135 3HG2 VAL 16 3HG2 VAL 16 -4.779 -4.015 -4.796 136 H ALA 17 H ALA 17 -4.574 -1.775 -0.291 137 HA ALA 17 HA ALA 17 -3.744 -3.628 1.651 138 1HB ALA 17 1HB ALA 17 -3.084 -1.283 1.713 139 2HB ALA 17 2HB ALA 17 -3.845 -1.765 3.230 140 3HB ALA 17 3HB ALA 17 -4.748 -0.813 2.050 141 H GLU 18 H GLU 18 -6.808 -1.827 1.333 142 HA GLU 18 HA GLU 18 -8.132 -2.956 3.498 143 1HB GLU 18 2HB GLU 18 -9.162 -1.842 0.896 144 2HB GLU 18 1HB GLU 18 -10.213 -2.344 2.199 145 1HG GLU 18 2HG GLU 18 -8.765 -0.736 3.638 146 2HG GLU 18 1HG GLU 18 -8.337 -0.041 2.075 147 H LYS 19 H LYS 19 -8.145 -3.999 0.077 148 HA LYS 19 HA LYS 19 -9.802 -6.244 0.472 149 1HB LYS 19 2HB LYS 19 -7.804 -5.523 -1.654 150 2HB LYS 19 1HB LYS 19 -8.591 -7.093 -1.662 151 1HG LYS 19 2HG LYS 19 -10.788 -5.933 -1.706 152 2HG LYS 19 1HG LYS 19 -9.923 -4.401 -1.863 153 1HD LYS 19 2HD LYS 19 -9.009 -5.033 -3.963 154 2HD LYS 19 1HD LYS 19 -9.520 -6.707 -3.760 155 1HE LYS 19 2HE LYS 19 -10.980 -5.631 -5.334 156 2HE LYS 19 1HE LYS 19 -11.876 -5.955 -3.853 157 1HZ LYS 19 1HZ LYS 19 -10.703 -3.330 -4.612 158 2HZ LYS 19 2HZ LYS 19 -11.611 -3.642 -3.211 159 3HZ LYS 19 3HZ LYS 19 -12.339 -3.744 -4.737 160 H GLY 20 H GLY 20 -6.289 -5.869 0.632 161 1HA GLY 20 2HA GLY 20 -5.678 -8.607 0.975 162 2HA GLY 20 1HA GLY 20 -4.653 -7.259 1.444 163 H ALA 21 H ALA 21 -6.424 -6.035 3.277 164 HA ALA 21 HA ALA 21 -5.934 -7.588 5.605 165 1HB ALA 21 1HB ALA 21 -7.075 -5.813 6.812 166 2HB ALA 21 2HB ALA 21 -7.682 -5.152 5.294 167 3HB ALA 21 3HB ALA 21 -5.951 -5.137 5.632 168 H ASP 22 H ASP 22 -8.765 -7.040 3.590 169 HA ASP 22 HA ASP 22 -10.574 -8.421 5.352 170 1HB ASP 22 2HB ASP 22 -11.334 -6.697 3.727 171 2HB ASP 22 1HB ASP 22 -10.879 -7.765 2.403 172 H ARG 23 H ARG 23 -8.599 -9.313 2.560 173 HA ARG 23 HA ARG 23 -9.533 -11.968 2.328 174 1HB ARG 23 2HB ARG 23 -7.936 -10.638 0.772 175 2HB ARG 23 1HB ARG 23 -6.662 -11.165 1.860 176 1HG ARG 23 2HG ARG 23 -8.528 -13.109 0.548 177 2HG ARG 23 1HG ARG 23 -7.064 -12.533 -0.245 178 1HD ARG 23 2HD ARG 23 -5.669 -13.549 1.331 179 2HD ARG 23 1HD ARG 23 -6.970 -13.715 2.510 180 HE ARG 23 HE ARG 23 -7.905 -15.305 0.662 181 1HH1 ARG 23 1HH1 ARG 23 -4.554 -14.972 1.650 182 2HH1 ARG 23 2HH1 ARG 23 -4.170 -16.636 1.312 183 1HH2 ARG 23 1HH2 ARG 23 -7.407 -17.496 0.281 184 2HH2 ARG 23 2HH2 ARG 23 -5.781 -18.060 0.536 185 H TYR 24 H TYR 24 -7.127 -10.413 4.353 186 HA TYR 24 HA TYR 24 -6.246 -12.837 5.574 187 1HB TYR 24 2HB TYR 24 -4.919 -10.664 5.360 188 2HB TYR 24 1HB TYR 24 -5.869 -10.078 6.721 189 HD1 TYR 24 1HD TYR 24 -3.343 -12.526 5.657 190 HD2 TYR 24 2HD TYR 24 -5.478 -10.896 8.950 191 HE1 TYR 24 1HE TYR 24 -1.797 -13.646 7.204 192 HE2 TYR 24 2HE TYR 24 -3.935 -12.010 10.506 193 HH TYR 24 HH TYR 24 -1.007 -13.415 9.535 194 H GLN 25 H GLN 25 -8.706 -10.410 6.333 195 HA GLN 25 HA GLN 25 -9.141 -11.274 8.985 196 1HB GLN 25 2HB GLN 25 -11.148 -9.971 8.972 197 2HB GLN 25 1HB GLN 25 -9.925 -9.089 8.097 198 1HG GLN 25 2HG GLN 25 -11.785 -8.737 6.833 199 2HG GLN 25 1HG GLN 25 -11.043 -10.101 6.009 200 1HE2 GLN 25 1HE2 GLN 25 -12.974 -10.707 5.090 201 2HE2 GLN 25 2HE2 GLN 25 -14.236 -11.468 5.993 202 H GLU 26 H GLU 26 -10.352 -12.443 5.900 203 HA GLU 26 HA GLU 26 -12.096 -14.386 7.057 204 1HB GLU 26 2HB GLU 26 -10.856 -14.042 4.351 205 2HB GLU 26 1HB GLU 26 -11.665 -15.547 4.761 206 1HG GLU 26 2HG GLU 26 -13.678 -14.162 5.361 207 2HG GLU 26 1HG GLU 26 -12.845 -12.792 4.628 208 H GLY 27 H GLY 27 -8.715 -14.281 6.180 209 1HA GLY 27 2HA GLY 27 -8.128 -17.023 6.484 210 2HA GLY 27 1HA GLY 27 -6.966 -15.707 6.586 211 H LYS 28 H LYS 28 -8.731 -18.041 8.281 212 HA LYS 28 HA LYS 28 -7.737 -16.966 10.838 213 1HB LYS 28 2HB LYS 28 -9.611 -18.227 11.906 214 2HB LYS 28 1HB LYS 28 -10.130 -16.902 10.875 215 1HG LYS 28 2HG LYS 28 -10.389 -18.692 9.054 216 2HG LYS 28 1HG LYS 28 -10.322 -19.845 10.389 217 1HD LYS 28 2HD LYS 28 -12.218 -18.804 11.445 218 2HD LYS 28 1HD LYS 28 -12.240 -17.524 10.231 219 1HE LYS 28 2HE LYS 28 -12.573 -19.382 8.521 220 2HE LYS 28 1HE LYS 28 -12.912 -20.433 9.895 221 1HZ LYS 28 1HZ LYS 28 -14.384 -17.961 9.170 222 2HZ LYS 28 2HZ LYS 28 -14.687 -18.890 10.554 223 3HZ LYS 28 3HZ LYS 28 -14.956 -19.547 9.012 224 H ASN 29 H ASN 29 -7.291 -19.254 8.546 225 HA ASN 29 HA ASN 29 -5.961 -21.039 10.476 226 1HB ASN 29 2HB ASN 29 -7.063 -21.728 7.739 227 2HB ASN 29 1HB ASN 29 -6.125 -22.822 8.747 228 1HD2 ASN 29 1HD2 ASN 29 -7.433 -21.811 11.207 229 2HD2 ASN 29 2HD2 ASN 29 -9.015 -22.517 11.208 230 H SER 30 H SER 30 -3.858 -21.765 9.912 231 HA SER 30 HA SER 30 -2.299 -19.714 8.753 232 1HB SER 30 2HB SER 30 -0.433 -21.461 8.991 233 2HB SER 30 1HB SER 30 -1.255 -20.942 10.460 234 HG SER 30 HG SER 30 -1.113 -23.168 10.477 235 H ASN 31 H ASN 31 -2.771 -23.086 7.653 236 HA ASN 31 HA ASN 31 -2.608 -24.049 5.599 237 1HB ASN 31 2HB ASN 31 -3.408 -21.260 4.781 238 2HB ASN 31 1HB ASN 31 -3.092 -22.511 3.585 239 1HD2 ASN 31 1HD2 ASN 31 -4.518 -23.274 6.677 240 2HD2 ASN 31 2HD2 ASN 31 -6.096 -23.639 6.069 241 H HIS 32 H HIS 32 -0.433 -24.533 5.860 242 HA HIS 32 HA HIS 32 1.643 -22.650 5.373 243 1HB HIS 32 2HB HIS 32 1.415 -25.312 6.374 244 2HB HIS 32 1HB HIS 32 2.659 -25.286 5.131 245 HD1 HIS 32 1HD HIS 32 3.733 -25.876 7.764 246 HD2 HIS 32 2HD HIS 32 3.064 -21.948 6.563 247 HE1 HIS 32 1HE HIS 32 5.239 -24.459 9.199 248 HE2 HIS 32 2HE HIS 32 4.723 -22.076 8.552 249 H SER 33 H SER 33 1.223 -21.836 3.297 250 HA SER 33 HA SER 33 1.893 -21.552 1.149 251 1HB SER 33 2HB SER 33 3.982 -22.677 1.781 252 2HB SER 33 1HB SER 33 3.237 -24.246 1.477 253 HG SER 33 HG SER 33 4.159 -23.889 -0.417 254 H TYR 34 H TYR 34 0.959 -21.879 -0.834 255 HA TYR 34 HA TYR 34 -0.217 -24.368 -1.560 256 1HB TYR 34 2HB TYR 34 -2.559 -23.302 -1.869 257 2HB TYR 34 1HB TYR 34 -2.094 -23.896 -0.284 258 HD1 TYR 34 1HD TYR 34 -2.842 -20.905 -2.281 259 HD2 TYR 34 2HD TYR 34 -1.703 -22.363 1.553 260 HE1 TYR 34 1HE TYR 34 -3.405 -18.727 -1.288 261 HE2 TYR 34 2HE TYR 34 -2.263 -20.191 2.552 262 HH TYR 34 HH TYR 34 -2.491 -17.880 1.898 263 H ASP 35 H ASP 35 -0.453 -20.871 -2.278 264 HA ASP 35 HA ASP 35 -0.142 -21.600 -5.117 265 1HB ASP 35 2HB ASP 35 -2.356 -20.695 -4.771 266 2HB ASP 35 1HB ASP 35 -1.703 -19.304 -3.910 267 H PHE 36 H PHE 36 1.223 -20.457 -6.383 268 HA PHE 36 HA PHE 36 2.479 -18.028 -5.400 269 1HB PHE 36 2HB PHE 36 4.021 -20.527 -6.102 270 2HB PHE 36 1HB PHE 36 4.749 -18.930 -6.199 271 HD1 PHE 36 1HD PHE 36 4.797 -17.517 -4.093 272 HD2 PHE 36 2HD PHE 36 3.945 -21.685 -4.092 273 HE1 PHE 36 1HE PHE 36 5.365 -17.627 -1.700 274 HE2 PHE 36 2HE PHE 36 4.508 -21.806 -1.701 275 HZ PHE 36 HZ PHE 36 5.218 -19.776 -0.500 276 H PHE 37 H PHE 37 0.733 -19.384 -7.676 277 HA PHE 37 HA PHE 37 2.071 -18.008 -9.888 278 1HB PHE 37 2HB PHE 37 1.697 -20.023 -11.360 279 2HB PHE 37 1HB PHE 37 2.963 -20.186 -10.150 280 HD1 PHE 37 1HD PHE 37 -0.324 -21.327 -11.242 281 HD2 PHE 37 2HD PHE 37 2.676 -21.672 -8.242 282 HE1 PHE 37 1HE PHE 37 -1.382 -23.391 -10.427 283 HE2 PHE 37 2HE PHE 37 1.619 -23.737 -7.421 284 HZ PHE 37 HZ PHE 37 -0.411 -24.599 -8.514 285 H GLU 38 H GLU 38 -0.844 -19.133 -8.422 286 HA GLU 38 HA GLU 38 -2.510 -18.711 -10.725 287 1HB GLU 38 2HB GLU 38 -3.132 -19.120 -7.805 288 2HB GLU 38 1HB GLU 38 -4.374 -18.885 -9.027 289 1HG GLU 38 2HG GLU 38 -2.334 -21.097 -9.045 290 2HG GLU 38 1HG GLU 38 -3.993 -21.247 -8.470 291 H THR 39 H THR 39 -2.318 -16.995 -7.583 292 HA THR 39 HA THR 39 -3.228 -14.597 -9.046 293 HB THR 39 HB THR 39 -4.910 -15.470 -7.445 294 HG1 THR 39 1HG THR 39 -4.469 -13.209 -6.098 295 1HG2 THR 39 1HG2 THR 39 -4.505 -15.218 -5.026 296 2HG2 THR 39 2HG2 THR 39 -2.821 -14.816 -5.368 297 3HG2 THR 39 3HG2 THR 39 -3.444 -16.418 -5.762 298 H ILE 40 H ILE 40 -0.848 -15.929 -6.905 299 HA ILE 40 HA ILE 40 0.064 -13.471 -5.824 300 HB ILE 40 HB ILE 40 1.377 -16.179 -5.978 301 1HG1 ILE 40 2HG1 ILE 40 0.009 -14.598 -3.796 302 2HG1 ILE 40 1HG1 ILE 40 -0.523 -16.116 -4.513 303 1HG2 ILE 40 1HG2 ILE 40 2.382 -13.711 -4.563 304 2HG2 ILE 40 2HG2 ILE 40 3.142 -14.502 -5.944 305 3HG2 ILE 40 3HG2 ILE 40 3.050 -15.332 -4.390 306 1HD1 ILE 40 1HD1 ILE 40 1.390 -17.252 -3.521 307 2HD1 ILE 40 2HD1 ILE 40 0.404 -16.452 -2.297 308 3HD1 ILE 40 3HD1 ILE 40 1.929 -15.730 -2.813 309 H LYS 41 H LYS 41 1.130 -15.386 -8.615 310 HA LYS 41 HA LYS 41 3.502 -14.116 -9.191 311 1HB LYS 41 2HB LYS 41 1.585 -15.701 -10.722 312 2HB LYS 41 1HB LYS 41 2.502 -14.573 -11.709 313 1HG LYS 41 2HG LYS 41 4.591 -15.513 -10.789 314 2HG LYS 41 1HG LYS 41 3.630 -16.689 -9.886 315 1HD LYS 41 2HD LYS 41 2.809 -17.672 -11.904 316 2HD LYS 41 1HD LYS 41 3.515 -16.385 -12.884 317 1HE LYS 41 2HE LYS 41 5.057 -18.383 -11.235 318 2HE LYS 41 1HE LYS 41 4.833 -18.456 -12.980 319 1HZ LYS 41 1HZ LYS 41 5.884 -16.134 -12.955 320 2HZ LYS 41 2HZ LYS 41 6.896 -17.471 -12.738 321 3HZ LYS 41 3HZ LYS 41 6.433 -16.540 -11.402 322 HA PRO 42 HA PRO 42 1.305 -10.776 -11.929 323 1HB PRO 42 2HB PRO 42 -1.475 -10.795 -10.944 324 2HB PRO 42 1HB PRO 42 -0.874 -10.715 -12.602 325 1HG PRO 42 2HG PRO 42 -2.044 -12.923 -11.637 326 2HG PRO 42 1HG PRO 42 -0.698 -13.010 -12.788 327 1HD PRO 42 2HD PRO 42 -0.692 -13.416 -9.823 328 2HD PRO 42 1HD PRO 42 0.178 -14.316 -11.084 329 H ALA 43 H ALA 43 -0.137 -11.321 -8.740 330 HA ALA 43 HA ALA 43 -0.507 -8.669 -7.977 331 1HB ALA 43 1HB ALA 43 0.132 -11.026 -6.209 332 2HB ALA 43 2HB ALA 43 -1.471 -10.572 -6.787 333 3HB ALA 43 3HB ALA 43 -0.593 -9.504 -5.691 334 H VAL 44 H VAL 44 2.330 -10.766 -7.551 335 HA VAL 44 HA VAL 44 3.831 -8.983 -5.981 336 HB VAL 44 HB VAL 44 4.807 -11.119 -7.889 337 1HG1 VAL 44 1HG1 VAL 44 6.904 -11.053 -6.648 338 2HG1 VAL 44 2HG1 VAL 44 6.297 -9.717 -5.669 339 3HG1 VAL 44 3HG1 VAL 44 6.570 -9.492 -7.398 340 1HG2 VAL 44 1HG2 VAL 44 3.397 -12.021 -6.143 341 2HG2 VAL 44 2HG2 VAL 44 4.315 -11.156 -4.910 342 3HG2 VAL 44 3HG2 VAL 44 5.077 -12.455 -5.829 343 H GLU 45 H GLU 45 3.526 -9.294 -9.492 344 HA GLU 45 HA GLU 45 5.602 -7.456 -10.096 345 1HB GLU 45 2HB GLU 45 3.263 -8.374 -11.766 346 2HB GLU 45 1HB GLU 45 4.642 -7.467 -12.362 347 1HG GLU 45 2HG GLU 45 4.617 -10.263 -11.277 348 2HG GLU 45 1HG GLU 45 5.002 -9.736 -12.912 349 H GLU 46 H GLU 46 2.052 -7.166 -10.067 350 HA GLU 46 HA GLU 46 1.820 -4.526 -10.825 351 1HB GLU 46 2HB GLU 46 0.135 -6.196 -8.965 352 2HB GLU 46 1HB GLU 46 -0.342 -4.641 -9.589 353 1HG GLU 46 2HG GLU 46 0.261 -7.050 -11.272 354 2HG GLU 46 1HG GLU 46 -1.353 -6.507 -10.814 355 H ASN 47 H ASN 47 1.904 -5.853 -7.520 356 HA ASN 47 HA ASN 47 1.698 -3.313 -6.286 357 1HB ASN 47 2HB ASN 47 2.509 -6.004 -5.199 358 2HB ASN 47 1HB ASN 47 2.395 -4.563 -4.194 359 1HD2 ASN 47 1HD2 ASN 47 0.652 -7.000 -5.907 360 2HD2 ASN 47 2HD2 ASN 47 -0.924 -6.558 -5.345 361 H ASP 48 H ASP 48 4.456 -5.197 -7.326 362 HA ASP 48 HA ASP 48 6.419 -3.806 -5.833 363 1HB ASP 48 2HB ASP 48 6.847 -5.971 -6.961 364 2HB ASP 48 1HB ASP 48 6.728 -5.166 -8.522 365 H GLU 49 H GLU 49 5.207 -3.368 -9.157 366 HA GLU 49 HA GLU 49 6.691 -1.013 -9.693 367 1HB GLU 49 2HB GLU 49 4.028 -1.842 -10.862 368 2HB GLU 49 1HB GLU 49 5.132 -0.657 -11.541 369 1HG GLU 49 2HG GLU 49 6.812 -2.462 -11.799 370 2HG GLU 49 1HG GLU 49 5.584 -3.614 -11.273 371 H LEU 50 H LEU 50 3.505 -1.640 -8.373 372 HA LEU 50 HA LEU 50 2.452 0.919 -8.247 373 1HB LEU 50 2HB LEU 50 1.427 -1.379 -7.638 374 2HB LEU 50 1HB LEU 50 2.089 -1.088 -6.043 375 HG LEU 50 HG LEU 50 0.764 1.066 -6.004 376 1HD1 LEU 50 1HD1 LEU 50 -1.146 1.185 -7.546 377 2HD1 LEU 50 2HD1 LEU 50 -0.512 -0.214 -8.418 378 3HD1 LEU 50 3HD1 LEU 50 0.400 1.297 -8.389 379 1HD2 LEU 50 1HD2 LEU 50 0.070 -0.960 -4.802 380 2HD2 LEU 50 2HD2 LEU 50 -0.786 -1.515 -6.241 381 3HD2 LEU 50 3HD2 LEU 50 -1.316 -0.054 -5.409 382 H ALA 51 H ALA 51 4.279 -0.825 -5.750 383 HA ALA 51 HA ALA 51 4.390 1.285 -3.902 384 1HB ALA 51 1HB ALA 51 6.160 0.003 -2.814 385 2HB ALA 51 2HB ALA 51 6.293 -1.027 -4.239 386 3HB ALA 51 3HB ALA 51 4.811 -1.031 -3.282 387 H ALA 52 H ALA 52 6.546 0.382 -6.543 388 HA ALA 52 HA ALA 52 8.666 2.129 -5.893 389 1HB ALA 52 1HB ALA 52 9.430 1.775 -8.188 390 2HB ALA 52 2HB ALA 52 7.877 1.043 -8.596 391 3HB ALA 52 3HB ALA 52 8.944 0.258 -7.433 392 H ARG 53 H ARG 53 6.009 2.482 -8.268 393 HA ARG 53 HA ARG 53 6.687 5.110 -9.027 394 1HB ARG 53 2HB ARG 53 4.998 3.210 -9.958 395 2HB ARG 53 1HB ARG 53 3.849 4.288 -9.181 396 1HG ARG 53 2HG ARG 53 5.891 5.292 -11.128 397 2HG ARG 53 1HG ARG 53 4.340 4.637 -11.641 398 1HD ARG 53 2HD ARG 53 3.152 6.325 -10.421 399 2HD ARG 53 1HD ARG 53 4.641 6.894 -9.671 400 HE ARG 53 HE ARG 53 5.216 7.302 -12.224 401 1HH1 ARG 53 1HH1 ARG 53 2.208 7.911 -10.541 402 2HH1 ARG 53 2HH1 ARG 53 1.816 9.325 -11.468 403 1HH2 ARG 53 1HH2 ARG 53 4.734 9.169 -13.436 404 2HH2 ARG 53 2HH2 ARG 53 3.271 10.056 -13.128 405 H TRP 54 H TRP 54 4.622 3.811 -6.490 406 HA TRP 54 HA TRP 54 3.450 6.260 -5.696 407 1HB TRP 54 2HB TRP 54 2.585 4.044 -4.998 408 2HB TRP 54 1HB TRP 54 4.022 3.810 -4.007 409 HD1 TRP 54 HD TRP 54 0.894 6.061 -4.196 410 HE1 TRP 54 1HE TRP 54 0.402 6.967 -1.840 411 HE3 TRP 54 3HE TRP 54 4.999 4.221 -1.756 412 HZ2 TRP 54 2HZ TRP 54 1.593 6.885 0.727 413 HZ3 TRP 54 3HZ TRP 54 5.237 4.673 0.649 414 HH2 TRP 54 HH TRP 54 3.574 5.979 1.863 415 H ALA 55 H ALA 55 6.273 4.467 -4.485 416 HA ALA 55 HA ALA 55 7.077 6.262 -2.521 417 1HB ALA 55 1HB ALA 55 8.826 4.521 -4.248 418 2HB ALA 55 2HB ALA 55 8.025 4.028 -2.758 419 3HB ALA 55 3HB ALA 55 9.290 5.255 -2.713 420 H GLU 56 H GLU 56 7.948 6.157 -5.968 421 HA GLU 56 HA GLU 56 9.703 8.304 -6.030 422 1HB GLU 56 2HB GLU 56 7.822 7.078 -8.013 423 2HB GLU 56 1HB GLU 56 8.761 8.486 -8.433 424 1HG GLU 56 2HG GLU 56 10.821 7.229 -7.889 425 2HG GLU 56 1HG GLU 56 9.820 5.805 -7.607 426 H GLY 57 H GLY 57 6.189 8.258 -6.635 427 1HA GLY 57 2HA GLY 57 5.955 11.021 -7.121 428 2HA GLY 57 1HA GLY 57 4.640 9.950 -6.679 429 H ALA 58 H ALA 58 5.526 9.163 -4.129 430 HA ALA 58 HA ALA 58 4.615 11.362 -2.594 431 1HB ALA 58 1HB ALA 58 5.952 8.831 -1.660 432 2HB ALA 58 2HB ALA 58 4.224 9.039 -1.946 433 3HB ALA 58 3HB ALA 58 5.022 9.945 -0.660 434 H LEU 59 H LEU 59 7.828 9.911 -3.041 435 HA LEU 59 HA LEU 59 9.192 11.641 -1.277 436 1HB LEU 59 2HB LEU 59 9.973 9.832 -3.529 437 2HB LEU 59 1HB LEU 59 11.161 10.896 -2.822 438 HG LEU 59 HG LEU 59 9.591 8.802 -1.319 439 1HD1 LEU 59 1HD1 LEU 59 11.196 7.790 -2.833 440 2HD1 LEU 59 2HD1 LEU 59 11.736 7.626 -1.160 441 3HD1 LEU 59 3HD1 LEU 59 12.469 8.839 -2.211 442 1HD2 LEU 59 1HD2 LEU 59 10.171 10.710 0.077 443 2HD2 LEU 59 2HD2 LEU 59 11.855 10.584 -0.433 444 3HD2 LEU 59 3HD2 LEU 59 11.124 9.293 0.522 445 H GLU 60 H GLU 60 8.426 11.794 -4.710 446 HA GLU 60 HA GLU 60 9.977 14.075 -5.309 447 1HB GLU 60 2HB GLU 60 8.827 12.400 -6.912 448 2HB GLU 60 1HB GLU 60 7.383 13.369 -6.673 449 1HG GLU 60 2HG GLU 60 8.459 14.046 -8.699 450 2HG GLU 60 1HG GLU 60 8.601 15.341 -7.511 451 H LEU 61 H LEU 61 6.676 13.623 -4.149 452 HA LEU 61 HA LEU 61 5.742 16.241 -4.383 453 1HB LEU 61 2HB LEU 61 4.409 14.187 -3.833 454 2HB LEU 61 1HB LEU 61 5.040 14.272 -2.204 455 HG LEU 61 HG LEU 61 2.685 15.162 -2.593 456 1HD1 LEU 61 1HD1 LEU 61 4.694 17.010 -1.318 457 2HD1 LEU 61 2HD1 LEU 61 3.910 15.632 -0.546 458 3HD1 LEU 61 3HD1 LEU 61 2.951 17.025 -1.044 459 1HD2 LEU 61 1HD2 LEU 61 2.545 17.493 -3.386 460 2HD2 LEU 61 2HD2 LEU 61 3.051 16.365 -4.642 461 3HD2 LEU 61 3HD2 LEU 61 4.241 17.406 -3.862 462 H ILE 62 H ILE 62 7.363 14.678 -1.609 463 HA ILE 62 HA ILE 62 7.152 16.965 0.044 464 HB ILE 62 HB ILE 62 8.753 15.847 1.542 465 1HG1 ILE 62 2HG1 ILE 62 8.838 13.686 -0.576 466 2HG1 ILE 62 1HG1 ILE 62 10.158 14.789 -0.201 467 1HG2 ILE 62 1HG2 ILE 62 6.548 14.100 0.475 468 2HG2 ILE 62 2HG2 ILE 62 6.396 15.346 1.714 469 3HG2 ILE 62 3HG2 ILE 62 7.348 13.894 2.031 470 1HD1 ILE 62 1HD1 ILE 62 10.316 13.864 2.035 471 2HD1 ILE 62 2HD1 ILE 62 10.476 12.597 0.819 472 3HD1 ILE 62 3HD1 ILE 62 8.960 12.787 1.702 473 H LYS 63 H LYS 63 9.637 15.945 -2.241 474 HA LYS 63 HA LYS 63 11.457 17.977 -1.299 475 1HB LYS 63 2HB LYS 63 12.853 17.308 -3.275 476 2HB LYS 63 1HB LYS 63 12.522 16.032 -2.116 477 1HG LYS 63 2HG LYS 63 12.203 14.922 -4.076 478 2HG LYS 63 1HG LYS 63 10.560 15.464 -3.745 479 1HD LYS 63 2HD LYS 63 10.954 15.905 -6.031 480 2HD LYS 63 1HD LYS 63 11.064 17.463 -5.210 481 1HE LYS 63 2HE LYS 63 13.434 17.443 -5.315 482 2HE LYS 63 1HE LYS 63 13.461 15.757 -5.837 483 1HZ LYS 63 1HZ LYS 63 12.436 18.074 -7.394 484 2HZ LYS 63 2HZ LYS 63 12.323 16.453 -7.887 485 3HZ LYS 63 3HZ LYS 63 13.846 17.181 -7.711 486 H VAL 64 H VAL 64 8.970 17.751 -3.727 487 HA VAL 64 HA VAL 64 9.793 20.007 -5.254 488 HB VAL 64 HB VAL 64 7.116 18.644 -4.975 489 1HG1 VAL 64 1HG1 VAL 64 7.803 20.998 -6.739 490 2HG1 VAL 64 2HG1 VAL 64 6.666 21.006 -5.390 491 3HG1 VAL 64 3HG1 VAL 64 6.321 20.048 -6.831 492 1HG2 VAL 64 1HG2 VAL 64 7.556 18.011 -7.309 493 2HG2 VAL 64 2HG2 VAL 64 8.828 17.444 -6.228 494 3HG2 VAL 64 3HG2 VAL 64 9.097 18.861 -7.240 495 H ARG 65 H ARG 65 7.435 19.653 -2.589 496 HA ARG 65 HA ARG 65 7.545 22.578 -2.312 497 1HB ARG 65 2HB ARG 65 5.479 20.623 -1.306 498 2HB ARG 65 1HB ARG 65 5.519 22.318 -0.843 499 1HG ARG 65 2HG ARG 65 5.438 22.788 -3.376 500 2HG ARG 65 1HG ARG 65 4.910 21.109 -3.510 501 1HD ARG 65 2HD ARG 65 2.951 22.447 -3.396 502 2HD ARG 65 1HD ARG 65 3.119 21.638 -1.839 503 HE ARG 65 HE ARG 65 4.370 24.142 -1.667 504 1HH1 ARG 65 1HH1 ARG 65 1.152 22.778 -1.991 505 2HH1 ARG 65 2HH1 ARG 65 0.363 24.148 -1.250 506 1HH2 ARG 65 1HH2 ARG 65 3.335 25.939 -0.703 507 2HH2 ARG 65 2HH2 ARG 65 1.608 25.952 -0.547 508 H ARG 66 H ARG 66 6.827 20.053 0.090 509 HA ARG 66 HA ARG 66 9.173 20.365 1.603 510 1HB ARG 66 2HB ARG 66 8.115 22.679 1.819 511 2HB ARG 66 1HB ARG 66 6.829 21.906 2.731 512 1HG ARG 66 2HG ARG 66 8.088 21.691 4.579 513 2HG ARG 66 1HG ARG 66 9.560 21.346 3.667 514 1HD ARG 66 2HD ARG 66 8.284 24.058 4.020 515 2HD ARG 66 1HD ARG 66 9.738 23.482 4.836 516 HE ARG 66 HE ARG 66 10.314 23.189 2.192 517 1HH1 ARG 66 1HH1 ARG 66 9.330 25.879 4.217 518 2HH1 ARG 66 2HH1 ARG 66 10.076 27.078 3.198 519 1HH2 ARG 66 1HH2 ARG 66 11.252 24.774 0.829 520 2HH2 ARG 66 2HH2 ARG 66 11.137 26.452 1.264 521 HA PRO 67 HA PRO 67 7.428 16.656 3.337 522 1HB PRO 67 2HB PRO 67 8.871 17.504 5.803 523 2HB PRO 67 1HB PRO 67 8.923 15.962 4.939 524 1HG PRO 67 2HG PRO 67 10.940 17.687 4.749 525 2HG PRO 67 1HG PRO 67 10.400 16.762 3.333 526 1HD PRO 67 2HD PRO 67 9.912 19.626 4.032 527 2HD PRO 67 1HD PRO 67 10.207 18.886 2.446 528 H LYS 68 H LYS 68 5.345 16.661 3.861 529 HA LYS 68 HA LYS 68 4.449 18.112 6.250 530 1HB LYS 68 2HB LYS 68 4.043 19.344 4.002 531 2HB LYS 68 1HB LYS 68 2.834 18.105 3.709 532 1HG LYS 68 2HG LYS 68 1.912 18.824 6.027 533 2HG LYS 68 1HG LYS 68 2.850 20.292 5.736 534 1HD LYS 68 2HD LYS 68 0.605 19.161 4.079 535 2HD LYS 68 1HD LYS 68 0.672 20.720 4.901 536 1HE LYS 68 2HE LYS 68 1.896 21.685 3.253 537 2HE LYS 68 1HE LYS 68 2.780 20.201 2.893 538 1HZ LYS 68 1HZ LYS 68 0.767 19.347 1.809 539 2HZ LYS 68 2HZ LYS 68 1.354 20.745 1.058 540 3HZ LYS 68 3HZ LYS 68 0.000 20.839 2.067 541 H TYR 69 H TYR 69 3.579 16.621 7.532 542 HA TYR 69 HA TYR 69 2.428 14.835 8.308 543 1HB TYR 69 2HB TYR 69 1.088 14.949 5.599 544 2HB TYR 69 1HB TYR 69 0.596 13.859 6.893 545 HD1 TYR 69 1HD TYR 69 -0.224 14.837 9.060 546 HD2 TYR 69 2HD TYR 69 0.374 17.206 5.576 547 HE1 TYR 69 1HE TYR 69 -1.629 16.602 10.027 548 HE2 TYR 69 2HE TYR 69 -1.037 18.980 6.535 549 HH TYR 69 HH TYR 69 -1.927 19.014 9.820 550 H VAL 70 H VAL 70 2.814 13.918 4.881 551 HA VAL 70 HA VAL 70 3.866 11.350 5.628 552 HB VAL 70 HB VAL 70 2.528 11.576 3.586 553 1HG1 VAL 70 1HG1 VAL 70 3.184 13.822 2.923 554 2HG1 VAL 70 2HG1 VAL 70 3.431 12.685 1.598 555 3HG1 VAL 70 3HG1 VAL 70 4.810 13.247 2.544 556 1HG2 VAL 70 1HG2 VAL 70 5.382 10.783 3.036 557 2HG2 VAL 70 2HG2 VAL 70 3.986 10.336 2.055 558 3HG2 VAL 70 3HG2 VAL 70 4.122 9.750 3.713 559 H HIS 71 H HIS 71 5.968 10.656 5.521 560 HA HIS 71 HA HIS 71 8.032 12.644 4.887 561 1HB HIS 71 2HB HIS 71 7.825 11.033 7.440 562 2HB HIS 71 1HB HIS 71 9.305 11.834 6.920 563 HD1 HIS 71 1HD HIS 71 6.162 12.424 8.697 564 HD2 HIS 71 2HD HIS 71 9.074 14.716 6.815 565 HE1 HIS 71 1HE HIS 71 5.784 14.782 9.484 566 HE2 HIS 71 2HE HIS 71 7.696 16.104 8.511 567 H LYS 72 H LYS 72 10.196 11.626 4.605 568 HA LYS 72 HA LYS 72 10.019 9.480 2.801 569 1HB LYS 72 2HB LYS 72 11.881 11.080 2.765 570 2HB LYS 72 1HB LYS 72 12.447 10.462 4.311 571 1HG LYS 72 2HG LYS 72 12.863 8.280 3.299 572 2HG LYS 72 1HG LYS 72 12.289 8.888 1.747 573 1HD LYS 72 2HD LYS 72 14.110 10.463 1.639 574 2HD LYS 72 1HD LYS 72 14.631 10.025 3.268 575 1HE LYS 72 2HE LYS 72 16.027 8.953 1.571 576 2HE LYS 72 1HE LYS 72 15.130 7.765 2.516 577 1HZ LYS 72 1HZ LYS 72 14.321 8.742 -0.172 578 2HZ LYS 72 2HZ LYS 72 13.575 7.502 0.722 579 3HZ LYS 72 3HZ LYS 72 15.141 7.286 0.119 580 H GLU 73 H GLU 73 10.909 9.584 6.209 581 HA GLU 73 HA GLU 73 11.674 6.986 6.678 582 1HB GLU 73 2HB GLU 73 10.000 8.819 8.393 583 2HB GLU 73 1HB GLU 73 10.694 7.307 8.965 584 1HG GLU 73 2HG GLU 73 12.303 9.575 7.831 585 2HG GLU 73 1HG GLU 73 11.993 9.335 9.546 586 H GLN 74 H GLN 74 8.392 8.287 6.492 587 HA GLN 74 HA GLN 74 7.059 5.856 7.088 588 1HB GLN 74 2HB GLN 74 6.075 8.332 5.650 589 2HB GLN 74 1HB GLN 74 5.051 7.032 6.231 590 1HG GLN 74 2HG GLN 74 6.785 8.756 7.974 591 2HG GLN 74 1HG GLN 74 5.066 9.009 7.693 592 1HE2 GLN 74 1HE2 GLN 74 4.550 8.770 9.836 593 2HE2 GLN 74 2HE2 GLN 74 4.585 7.246 10.652 594 H ILE 75 H ILE 75 7.838 7.557 4.088 595 HA ILE 75 HA ILE 75 6.488 5.866 2.313 596 HB ILE 75 HB ILE 75 8.958 7.537 1.798 597 1HG1 ILE 75 2HG1 ILE 75 6.049 8.218 1.338 598 2HG1 ILE 75 1HG1 ILE 75 6.946 8.719 2.766 599 1HG2 ILE 75 1HG2 ILE 75 6.898 6.424 -0.117 600 2HG2 ILE 75 2HG2 ILE 75 8.577 5.899 0.027 601 3HG2 ILE 75 3HG2 ILE 75 8.208 7.526 -0.542 602 1HD1 ILE 75 1HD1 ILE 75 7.605 9.474 -0.068 603 2HD1 ILE 75 2HD1 ILE 75 8.472 10.000 1.376 604 3HD1 ILE 75 3HD1 ILE 75 6.797 10.497 1.119 605 H GLU 76 H GLU 76 9.783 5.733 3.587 606 HA GLU 76 HA GLU 76 10.629 3.566 1.957 607 1HB GLU 76 2HB GLU 76 11.636 4.540 4.634 608 2HB GLU 76 1HB GLU 76 12.450 3.335 3.646 609 1HG GLU 76 2HG GLU 76 11.900 6.179 2.824 610 2HG GLU 76 1HG GLU 76 13.440 5.571 3.427 611 H ALA 77 H ALA 77 9.236 3.808 5.186 612 HA ALA 77 HA ALA 77 9.436 1.062 5.824 613 1HB ALA 77 1HB ALA 77 9.165 2.796 7.525 614 2HB ALA 77 2HB ALA 77 7.922 1.552 7.659 615 3HB ALA 77 3HB ALA 77 7.533 3.114 6.937 616 H VAL 78 H VAL 78 6.762 3.011 4.523 617 HA VAL 78 HA VAL 78 4.866 0.907 4.565 618 HB VAL 78 HB VAL 78 4.921 3.490 3.002 619 1HG1 VAL 78 1HG1 VAL 78 2.661 1.508 3.298 620 2HG1 VAL 78 2HG1 VAL 78 3.524 1.897 1.809 621 3HG1 VAL 78 3HG1 VAL 78 2.520 3.118 2.593 622 1HG2 VAL 78 1HG2 VAL 78 3.276 4.215 4.660 623 2HG2 VAL 78 2HG2 VAL 78 4.793 3.741 5.424 624 3HG2 VAL 78 3HG2 VAL 78 3.404 2.655 5.472 625 H LYS 79 H LYS 79 7.005 2.145 2.011 626 HA LYS 79 HA LYS 79 6.053 0.625 -0.116 627 1HB LYS 79 2HB LYS 79 7.725 2.455 -0.283 628 2HB LYS 79 1HB LYS 79 8.925 1.406 0.451 629 1HG LYS 79 2HG LYS 79 7.547 0.538 -2.048 630 2HG LYS 79 1HG LYS 79 8.843 1.730 -2.131 631 1HD LYS 79 2HD LYS 79 10.380 0.189 -1.074 632 2HD LYS 79 1HD LYS 79 9.083 -0.983 -0.833 633 1HE LYS 79 2HE LYS 79 8.825 -1.201 -3.250 634 2HE LYS 79 1HE LYS 79 10.102 -0.012 -3.499 635 1HZ LYS 79 1HZ LYS 79 10.480 -2.597 -2.084 636 2HZ LYS 79 2HZ LYS 79 11.685 -1.483 -2.499 637 3HZ LYS 79 3HZ LYS 79 10.860 -2.335 -3.718 638 H ASP 80 H ASP 80 8.366 -0.197 2.400 639 HA ASP 80 HA ASP 80 8.980 -2.792 1.365 640 1HB ASP 80 2HB ASP 80 10.535 -1.506 2.793 641 2HB ASP 80 1HB ASP 80 9.403 -1.633 4.132 642 H ASN 81 H ASN 81 6.982 -1.605 4.063 643 HA ASN 81 HA ASN 81 6.157 -4.149 4.964 644 1HB ASN 81 2HB ASN 81 5.186 -1.359 5.421 645 2HB ASN 81 1HB ASN 81 4.185 -2.705 5.948 646 1HD2 ASN 81 1HD2 ASN 81 7.163 -0.991 6.417 647 2HD2 ASN 81 2HD2 ASN 81 7.566 -1.710 7.943 648 H PHE 82 H PHE 82 4.871 -2.019 2.497 649 HA PHE 82 HA PHE 82 2.322 -3.224 2.271 650 1HB PHE 82 2HB PHE 82 2.839 -1.008 1.317 651 2HB PHE 82 1HB PHE 82 3.922 -1.763 0.155 652 HD1 PHE 82 1HD PHE 82 3.105 -1.974 -1.953 653 HD2 PHE 82 2HD PHE 82 0.404 -2.231 1.325 654 HE1 PHE 82 1HE PHE 82 1.239 -2.267 -3.522 655 HE2 PHE 82 2HE PHE 82 -1.473 -2.536 -0.240 656 HZ PHE 82 HZ PHE 82 -1.054 -2.551 -2.670 657 H LEU 83 H LEU 83 5.374 -3.780 0.549 658 HA LEU 83 HA LEU 83 4.438 -5.823 -1.140 659 1HB LEU 83 2HB LEU 83 7.159 -5.137 -0.071 660 2HB LEU 83 1HB LEU 83 6.915 -6.519 -1.115 661 HG LEU 83 HG LEU 83 6.349 -3.638 -1.828 662 1HD1 LEU 83 1HD1 LEU 83 8.453 -5.549 -2.823 663 2HD1 LEU 83 2HD1 LEU 83 8.728 -4.180 -1.748 664 3HD1 LEU 83 3HD1 LEU 83 8.185 -3.906 -3.403 665 1HD2 LEU 83 1HD2 LEU 83 6.088 -6.133 -3.501 666 2HD2 LEU 83 2HD2 LEU 83 5.859 -4.476 -4.062 667 3HD2 LEU 83 3HD2 LEU 83 4.751 -5.168 -2.876 668 H GLU 84 H GLU 84 5.869 -5.902 2.084 669 HA GLU 84 HA GLU 84 5.833 -8.677 2.465 670 1HB GLU 84 2HB GLU 84 5.526 -6.427 4.459 671 2HB GLU 84 1HB GLU 84 5.780 -8.109 4.900 672 1HG GLU 84 2HG GLU 84 7.678 -6.465 3.245 673 2HG GLU 84 1HG GLU 84 7.835 -6.750 4.978 674 H LEU 85 H LEU 85 3.389 -6.207 3.193 675 HA LEU 85 HA LEU 85 1.493 -7.742 4.487 676 1HB LEU 85 2HB LEU 85 1.511 -5.251 4.154 677 2HB LEU 85 1HB LEU 85 0.916 -5.515 2.531 678 HG LEU 85 HG LEU 85 -0.638 -6.572 4.870 679 1HD1 LEU 85 1HD1 LEU 85 -1.857 -4.469 4.985 680 2HD1 LEU 85 2HD1 LEU 85 -0.775 -3.759 3.785 681 3HD1 LEU 85 3HD1 LEU 85 -0.154 -4.220 5.371 682 1HD2 LEU 85 1HD2 LEU 85 -2.523 -6.209 3.360 683 2HD2 LEU 85 2HD2 LEU 85 -1.301 -7.229 2.602 684 3HD2 LEU 85 3HD2 LEU 85 -1.435 -5.531 2.150 685 H VAL 86 H VAL 86 1.776 -7.120 1.002 686 HA VAL 86 HA VAL 86 -0.427 -8.600 0.145 687 HB VAL 86 HB VAL 86 2.194 -8.198 -1.313 688 1HG1 VAL 86 1HG1 VAL 86 -0.539 -8.910 -2.373 689 2HG1 VAL 86 2HG1 VAL 86 0.861 -9.982 -2.302 690 3HG1 VAL 86 3HG1 VAL 86 0.888 -8.562 -3.352 691 1HG2 VAL 86 1HG2 VAL 86 -0.348 -6.569 -1.340 692 2HG2 VAL 86 2HG2 VAL 86 1.050 -6.300 -2.382 693 3HG2 VAL 86 3HG2 VAL 86 1.198 -6.085 -0.637 694 H LEU 87 H LEU 87 2.939 -9.633 0.594 695 HA LEU 87 HA LEU 87 2.532 -12.300 -0.271 696 1HB LEU 87 2HB LEU 87 4.737 -11.212 -0.180 697 2HB LEU 87 1HB LEU 87 4.649 -11.182 1.570 698 HG LEU 87 HG LEU 87 4.598 -13.673 1.565 699 1HD1 LEU 87 1HD1 LEU 87 5.194 -13.344 -1.371 700 2HD1 LEU 87 2HD1 LEU 87 3.714 -14.010 -0.681 701 3HD1 LEU 87 3HD1 LEU 87 5.246 -14.856 -0.466 702 1HD2 LEU 87 1HD2 LEU 87 6.671 -12.474 1.956 703 2HD2 LEU 87 2HD2 LEU 87 6.966 -12.386 0.220 704 3HD2 LEU 87 3HD2 LEU 87 6.971 -13.950 1.038 705 H GLN 88 H GLN 88 2.542 -10.793 2.931 706 HA GLN 88 HA GLN 88 2.361 -13.230 4.369 707 1HB GLN 88 2HB GLN 88 1.686 -10.426 5.269 708 2HB GLN 88 1HB GLN 88 1.925 -11.813 6.324 709 1HG GLN 88 2HG GLN 88 4.023 -10.668 4.493 710 2HG GLN 88 1HG GLN 88 3.878 -10.305 6.210 711 1HE2 GLN 88 1HE2 GLN 88 6.007 -11.097 6.475 712 2HE2 GLN 88 2HE2 GLN 88 6.332 -12.800 6.492 713 H SER 89 H SER 89 -0.007 -11.168 2.898 714 HA SER 89 HA SER 89 -2.268 -12.074 4.336 715 1HB SER 89 2HB SER 89 -2.250 -10.050 2.877 716 2HB SER 89 1HB SER 89 -2.152 -11.103 1.467 717 HG SER 89 HG SER 89 -4.321 -10.358 2.871 718 H TYR 90 H TYR 90 -0.297 -13.527 1.913 719 HA TYR 90 HA TYR 90 -2.308 -15.607 1.443 720 1HB TYR 90 2HB TYR 90 0.201 -14.865 -0.051 721 2HB TYR 90 1HB TYR 90 -0.676 -16.358 -0.358 722 HD1 TYR 90 1HD TYR 90 -3.104 -16.197 -1.086 723 HD2 TYR 90 2HD TYR 90 -0.485 -12.843 -1.052 724 HE1 TYR 90 1HE TYR 90 -4.605 -15.017 -2.634 725 HE2 TYR 90 2HE TYR 90 -1.980 -11.657 -2.602 726 HH TYR 90 HH TYR 90 -5.140 -12.788 -3.346 727 H VAL 91 H VAL 91 1.216 -15.382 2.110 728 HA VAL 91 HA VAL 91 1.377 -18.186 2.635 729 HB VAL 91 HB VAL 91 3.693 -17.793 3.311 730 1HG1 VAL 91 1HG1 VAL 91 3.141 -18.015 0.944 731 2HG1 VAL 91 2HG1 VAL 91 4.519 -16.942 1.187 732 3HG1 VAL 91 3HG1 VAL 91 2.929 -16.268 0.828 733 1HG2 VAL 91 1HG2 VAL 91 3.036 -14.869 2.972 734 2HG2 VAL 91 2HG2 VAL 91 4.654 -15.533 3.207 735 3HG2 VAL 91 3HG2 VAL 91 3.442 -15.683 4.482 736 H HIS 92 H HIS 92 0.739 -15.415 4.605 737 HA HIS 92 HA HIS 92 0.091 -15.194 6.772 738 1HB HIS 92 2HB HIS 92 -0.322 -18.181 6.555 739 2HB HIS 92 1HB HIS 92 -0.873 -17.197 7.905 740 HD1 HIS 92 1HD HIS 92 -2.786 -18.852 6.061 741 HD2 HIS 92 2HD HIS 92 -1.977 -14.793 5.673 742 HE1 HIS 92 1HE HIS 92 -4.765 -17.880 4.848 743 HE2 HIS 92 2HE HIS 92 -4.152 -15.470 4.452 744 H HIS 93 H HIS 93 2.889 -15.481 6.272 745 HA HIS 93 HA HIS 93 4.070 -17.194 8.210 746 1HB HIS 93 2HB HIS 93 5.428 -16.511 6.362 747 2HB HIS 93 1HB HIS 93 5.146 -14.808 6.699 748 HD1 HIS 93 1HD HIS 93 7.151 -17.769 7.917 749 HD2 HIS 93 2HD HIS 93 6.818 -13.677 8.588 750 HE1 HIS 93 1HE HIS 93 9.149 -17.140 9.299 751 HE2 HIS 93 2HE HIS 93 9.057 -14.623 9.455 752 H ILE 94 H ILE 94 2.953 -13.854 8.266 753 HA ILE 94 HA ILE 94 3.844 -13.611 11.045 754 HB ILE 94 HB ILE 94 3.134 -11.271 10.928 755 1HG1 ILE 94 2HG1 ILE 94 2.516 -11.825 8.022 756 2HG1 ILE 94 1HG1 ILE 94 1.303 -11.591 9.279 757 1HG2 ILE 94 1HG2 ILE 94 4.941 -12.120 8.672 758 2HG2 ILE 94 2HG2 ILE 94 5.415 -11.840 10.347 759 3HG2 ILE 94 3HG2 ILE 94 4.853 -10.496 9.353 760 1HD1 ILE 94 1HD1 ILE 94 3.340 -9.551 8.399 761 2HD1 ILE 94 2HD1 ILE 94 2.097 -9.319 9.630 762 3HD1 ILE 94 3HD1 ILE 94 1.636 -9.580 7.949 763 H HIS 95 H HIS 95 2.294 -12.731 12.621 764 HA HIS 95 HA HIS 95 -0.056 -14.393 12.518 765 1HB HIS 95 2HB HIS 95 1.265 -12.775 14.675 766 2HB HIS 95 1HB HIS 95 -0.338 -13.471 14.909 767 HD1 HIS 95 1HD HIS 95 3.226 -14.563 14.156 768 HD2 HIS 95 2HD HIS 95 -0.360 -16.103 15.601 769 HE1 HIS 95 1HE HIS 95 3.752 -16.895 14.935 770 HE2 HIS 95 2HE HIS 95 1.523 -17.879 15.590 771 H LYS 96 H LYS 96 -2.092 -13.447 13.595 772 HA LYS 96 HA LYS 96 -3.127 -11.751 11.577 773 1HB LYS 96 2HB LYS 96 -4.250 -13.667 12.878 774 2HB LYS 96 1HB LYS 96 -4.545 -12.471 14.129 775 1HG LYS 96 2HG LYS 96 -5.847 -11.135 12.559 776 2HG LYS 96 1HG LYS 96 -5.529 -12.315 11.284 777 1HD LYS 96 2HD LYS 96 -6.635 -14.044 12.686 778 2HD LYS 96 1HD LYS 96 -7.044 -12.786 13.851 779 1HE LYS 96 2HE LYS 96 -8.967 -13.131 12.504 780 2HE LYS 96 1HE LYS 96 -8.255 -11.602 11.994 781 1HZ LYS 96 1HZ LYS 96 -7.820 -14.191 10.597 782 2HZ LYS 96 2HZ LYS 96 -7.335 -12.659 10.070 783 3HZ LYS 96 3HZ LYS 96 -8.976 -13.045 10.143 784 H LYS 97 H LYS 97 -2.069 -11.193 14.849 785 HA LYS 97 HA LYS 97 -3.432 -8.719 15.222 786 1HB LYS 97 2HB LYS 97 -2.710 -10.102 17.117 787 2HB LYS 97 1HB LYS 97 -1.030 -9.863 16.657 788 1HG LYS 97 2HG LYS 97 -1.295 -7.443 17.063 789 2HG LYS 97 1HG LYS 97 -2.943 -7.746 17.619 790 1HD LYS 97 2HD LYS 97 -2.073 -9.203 19.384 791 2HD LYS 97 1HD LYS 97 -0.429 -8.896 18.825 792 1HE LYS 97 2HE LYS 97 -0.749 -6.497 19.301 793 2HE LYS 97 1HE LYS 97 -2.360 -6.858 19.923 794 1HZ LYS 97 1HZ LYS 97 -0.811 -6.696 21.736 795 2HZ LYS 97 2HZ LYS 97 0.215 -7.846 21.026 796 3HZ LYS 97 3HZ LYS 97 -1.316 -8.310 21.587 797 H ARG 98 H ARG 98 0.003 -9.498 14.601 798 HA ARG 98 HA ARG 98 0.837 -6.825 14.337 799 1HB ARG 98 2HB ARG 98 2.462 -8.546 14.752 800 2HB ARG 98 1HB ARG 98 2.034 -9.385 13.269 801 1HG ARG 98 2HG ARG 98 4.168 -8.167 13.118 802 2HG ARG 98 1HG ARG 98 2.984 -7.622 11.933 803 1HD ARG 98 2HD ARG 98 4.149 -5.722 12.898 804 2HD ARG 98 1HD ARG 98 2.451 -5.702 13.366 805 HE ARG 98 HE ARG 98 4.063 -6.999 15.322 806 1HH1 ARG 98 1HH1 ARG 98 3.256 -3.816 14.083 807 2HH1 ARG 98 2HH1 ARG 98 3.442 -3.037 15.620 808 1HH2 ARG 98 1HH2 ARG 98 4.315 -5.959 17.343 809 2HH2 ARG 98 2HH2 ARG 98 4.027 -4.247 17.477 810 H PHE 99 H PHE 99 -0.505 -9.090 11.999 811 HA PHE 99 HA PHE 99 0.094 -7.718 9.643 812 1HB PHE 99 2HB PHE 99 -0.949 -9.998 9.793 813 2HB PHE 99 1HB PHE 99 -2.474 -9.220 10.205 814 HD1 PHE 99 1HD PHE 99 -3.715 -7.950 8.528 815 HD2 PHE 99 2HD PHE 99 -0.075 -9.931 7.559 816 HE1 PHE 99 1HE PHE 99 -4.224 -7.711 6.133 817 HE2 PHE 99 2HE PHE 99 -0.580 -9.696 5.165 818 HZ PHE 99 HZ PHE 99 -2.657 -8.584 4.450 819 H LYS 100 H LYS 100 -2.547 -7.279 11.942 820 HA LYS 100 HA LYS 100 -3.982 -5.367 10.445 821 1HB LYS 100 2HB LYS 100 -4.868 -6.653 12.406 822 2HB LYS 100 1HB LYS 100 -3.894 -5.639 13.455 823 1HG LYS 100 2HG LYS 100 -6.269 -4.956 13.329 824 2HG LYS 100 1HG LYS 100 -5.143 -3.688 12.843 825 1HD LYS 100 2HD LYS 100 -5.602 -4.083 10.522 826 2HD LYS 100 1HD LYS 100 -6.562 -5.512 10.905 827 1HE LYS 100 2HE LYS 100 -7.936 -3.528 10.352 828 2HE LYS 100 1HE LYS 100 -8.245 -4.160 11.967 829 1HZ LYS 100 1HZ LYS 100 -8.074 -1.699 11.823 830 2HZ LYS 100 2HZ LYS 100 -6.438 -1.861 11.422 831 3HZ LYS 100 3HZ LYS 100 -7.007 -2.405 12.929 832 H ASP 101 H ASP 101 -1.490 -5.057 12.941 833 HA ASP 101 HA ASP 101 -1.507 -2.222 13.061 834 1HB ASP 101 2HB ASP 101 -0.463 -3.839 14.732 835 2HB ASP 101 1HB ASP 101 0.889 -3.975 13.614 836 H ILE 102 H ILE 102 0.355 -4.523 11.127 837 HA ILE 102 HA ILE 102 1.958 -2.649 9.775 838 HB ILE 102 HB ILE 102 0.890 -5.314 8.814 839 1HG1 ILE 102 2HG1 ILE 102 3.583 -4.480 9.922 840 2HG1 ILE 102 1HG1 ILE 102 2.367 -5.433 10.770 841 1HG2 ILE 102 1HG2 ILE 102 2.641 -5.219 7.090 842 2HG2 ILE 102 2HG2 ILE 102 3.030 -3.571 7.583 843 3HG2 ILE 102 3HG2 ILE 102 1.450 -3.935 6.890 844 1HD1 ILE 102 1HD1 ILE 102 4.182 -6.811 9.900 845 2HD1 ILE 102 2HD1 ILE 102 3.806 -6.270 8.262 846 3HD1 ILE 102 3HD1 ILE 102 2.634 -7.229 9.167 847 H THR 103 H THR 103 -1.265 -3.924 9.051 848 HA THR 103 HA THR 103 -1.776 -2.476 6.716 849 HB THR 103 HB THR 103 -3.790 -3.187 8.864 850 HG1 THR 103 1HG THR 103 -2.539 -5.011 8.125 851 1HG2 THR 103 1HG2 THR 103 -5.389 -3.257 7.004 852 2HG2 THR 103 2HG2 THR 103 -4.122 -2.742 5.893 853 3HG2 THR 103 3HG2 THR 103 -4.669 -1.657 7.171 854 H GLU 104 H GLU 104 -2.345 -1.639 10.123 855 HA GLU 104 HA GLU 104 -3.425 0.904 9.820 856 1HB GLU 104 2HB GLU 104 -1.528 -0.108 11.954 857 2HB GLU 104 1HB GLU 104 -2.490 1.350 12.082 858 1HG GLU 104 2HG GLU 104 -3.581 -1.437 11.820 859 2HG GLU 104 1HG GLU 104 -3.448 -0.523 13.322 860 H SER 105 H SER 105 -0.022 -0.072 10.105 861 HA SER 105 HA SER 105 1.144 2.458 10.014 862 1HB SER 105 2HB SER 105 2.265 -0.130 8.908 863 2HB SER 105 1HB SER 105 3.198 1.302 9.336 864 HG SER 105 HG SER 105 1.583 -0.157 11.173 865 H VAL 106 H VAL 106 0.351 0.247 7.347 866 HA VAL 106 HA VAL 106 1.359 1.913 5.286 867 HB VAL 106 HB VAL 106 -0.764 -0.242 5.134 868 1HG1 VAL 106 1HG1 VAL 106 -0.211 -0.342 2.744 869 2HG1 VAL 106 2HG1 VAL 106 0.857 1.047 2.940 870 3HG1 VAL 106 3HG1 VAL 106 -0.878 1.226 3.200 871 1HG2 VAL 106 1HG2 VAL 106 1.063 -1.678 4.357 872 2HG2 VAL 106 2HG2 VAL 106 1.362 -1.074 5.987 873 3HG2 VAL 106 3HG2 VAL 106 2.205 -0.359 4.612 874 H LEU 107 H LEU 107 -1.968 1.334 6.428 875 HA LEU 107 HA LEU 107 -3.217 3.157 4.705 876 1HB LEU 107 2HB LEU 107 -4.004 1.932 7.322 877 2HB LEU 107 1HB LEU 107 -5.029 3.130 6.562 878 HG LEU 107 HG LEU 107 -4.217 0.483 5.341 879 1HD1 LEU 107 1HD1 LEU 107 -5.804 0.231 7.171 880 2HD1 LEU 107 2HD1 LEU 107 -6.570 -0.103 5.616 881 3HD1 LEU 107 3HD1 LEU 107 -6.863 1.434 6.431 882 1HD2 LEU 107 1HD2 LEU 107 -6.052 2.648 4.320 883 2HD2 LEU 107 2HD2 LEU 107 -5.830 1.059 3.585 884 3HD2 LEU 107 3HD2 LEU 107 -4.485 2.201 3.645 885 H TYR 108 H TYR 108 -1.775 3.628 7.881 886 HA TYR 108 HA TYR 108 -2.734 6.178 8.470 887 1HB TYR 108 2HB TYR 108 -1.432 4.752 10.030 888 2HB TYR 108 1HB TYR 108 0.012 5.053 9.074 889 HD1 TYR 108 1HD TYR 108 -2.639 6.886 10.958 890 HD2 TYR 108 2HD TYR 108 1.425 6.783 9.698 891 HE1 TYR 108 1HE TYR 108 -2.166 8.863 12.342 892 HE2 TYR 108 2HE TYR 108 1.910 8.761 11.076 893 HH TYR 108 HH TYR 108 0.807 10.605 12.106 894 H THR 109 H THR 109 0.262 5.279 6.768 895 HA THR 109 HA THR 109 0.994 7.927 6.102 896 HB THR 109 HB THR 109 1.790 5.358 4.715 897 HG1 THR 109 1HG THR 109 2.610 5.031 6.663 898 1HG2 THR 109 1HG2 THR 109 2.349 7.378 3.427 899 2HG2 THR 109 2HG2 THR 109 3.799 6.601 4.061 900 3HG2 THR 109 3HG2 THR 109 3.164 8.051 4.838 901 H LEU 110 H LEU 110 -0.840 5.433 4.411 902 HA LEU 110 HA LEU 110 -1.117 6.722 1.947 903 1HB LEU 110 2HB LEU 110 -2.968 4.828 3.381 904 2HB LEU 110 1HB LEU 110 -3.227 5.370 1.735 905 HG LEU 110 HG LEU 110 -0.815 3.831 2.686 906 1HD1 LEU 110 1HD1 LEU 110 -1.771 1.969 1.428 907 2HD1 LEU 110 2HD1 LEU 110 -3.205 2.936 1.083 908 3HD1 LEU 110 3HD1 LEU 110 -2.834 2.468 2.743 909 1HD2 LEU 110 1HD2 LEU 110 -0.326 5.298 0.807 910 2HD2 LEU 110 2HD2 LEU 110 -1.702 4.637 -0.077 911 3HD2 LEU 110 3HD2 LEU 110 -0.321 3.608 0.304 912 H HIS 111 H HIS 111 -3.034 6.982 4.908 913 HA HIS 111 HA HIS 111 -5.045 8.660 3.845 914 1HB HIS 111 2HB HIS 111 -4.039 8.294 6.670 915 2HB HIS 111 1HB HIS 111 -5.409 9.321 6.261 916 HD1 HIS 111 1HD HIS 111 -6.128 7.161 8.105 917 HD2 HIS 111 2HD HIS 111 -6.022 6.528 3.993 918 HE1 HIS 111 1HE HIS 111 -7.586 5.160 7.688 919 HE2 HIS 111 2HE HIS 111 -7.588 4.845 5.185 920 H ALA 112 H ALA 112 -1.884 9.303 5.242 921 HA ALA 112 HA ALA 112 -2.148 12.118 5.419 922 1HB ALA 112 1HB ALA 112 0.354 10.454 5.113 923 2HB ALA 112 2HB ALA 112 -0.420 10.888 6.637 924 3HB ALA 112 3HB ALA 112 0.290 12.142 5.621 925 H VAL 113 H VAL 113 -0.960 9.952 2.882 926 HA VAL 113 HA VAL 113 -0.101 12.060 1.150 927 HB VAL 113 HB VAL 113 -0.743 9.183 0.455 928 1HG1 VAL 113 1HG1 VAL 113 0.854 11.258 -1.036 929 2HG1 VAL 113 2HG1 VAL 113 -0.715 10.605 -1.510 930 3HG1 VAL 113 3HG1 VAL 113 0.704 9.559 -1.488 931 1HG2 VAL 113 1HG2 VAL 113 1.662 8.799 0.634 932 2HG2 VAL 113 2HG2 VAL 113 0.981 9.336 2.169 933 3HG2 VAL 113 3HG2 VAL 113 1.889 10.466 1.166 934 H LYS 114 H LYS 114 -2.974 10.019 1.369 935 HA LYS 114 HA LYS 114 -4.302 10.939 -0.921 936 1HB LYS 114 2HB LYS 114 -4.930 8.923 0.364 937 2HB LYS 114 1HB LYS 114 -5.486 9.949 1.679 938 1HG LYS 114 2HG LYS 114 -7.223 10.869 0.273 939 2HG LYS 114 1HG LYS 114 -6.631 9.943 -1.108 940 1HD LYS 114 2HD LYS 114 -7.121 7.860 0.077 941 2HD LYS 114 1HD LYS 114 -7.712 8.783 1.459 942 1HE LYS 114 2HE LYS 114 -9.537 7.943 0.033 943 2HE LYS 114 1HE LYS 114 -9.507 9.704 0.123 944 1HZ LYS 114 1HZ LYS 114 -8.681 9.872 -2.038 945 2HZ LYS 114 2HZ LYS 114 -9.834 8.639 -2.154 946 3HZ LYS 114 3HZ LYS 114 -8.188 8.248 -2.095 947 H ASP 115 H ASP 115 -4.302 12.116 2.414 948 HA ASP 115 HA ASP 115 -6.222 14.170 1.950 949 1HB ASP 115 2HB ASP 115 -5.811 13.319 4.201 950 2HB ASP 115 1HB ASP 115 -4.150 13.896 4.139 951 H GLU 116 H GLU 116 -2.685 14.065 1.941 952 HA GLU 116 HA GLU 116 -2.179 16.777 1.523 953 1HB GLU 116 2HB GLU 116 -0.704 14.249 1.044 954 2HB GLU 116 1HB GLU 116 -0.133 15.673 0.181 955 1HG GLU 116 2HG GLU 116 -0.508 15.489 3.162 956 2HG GLU 116 1HG GLU 116 1.031 15.321 2.311 957 H ILE 117 H ILE 117 -2.676 14.188 -0.876 958 HA ILE 117 HA ILE 117 -2.300 15.787 -3.147 959 HB ILE 117 HB ILE 117 -4.062 13.350 -2.827 960 1HG1 ILE 117 2HG1 ILE 117 -1.244 13.629 -3.901 961 2HG1 ILE 117 1HG1 ILE 117 -1.658 13.030 -2.298 962 1HG2 ILE 117 1HG2 ILE 117 -4.721 14.606 -4.794 963 2HG2 ILE 117 2HG2 ILE 117 -3.884 13.128 -5.269 964 3HG2 ILE 117 3HG2 ILE 117 -3.045 14.678 -5.337 965 1HD1 ILE 117 1HD1 ILE 117 -2.413 11.754 -4.918 966 2HD1 ILE 117 2HD1 ILE 117 -2.829 11.147 -3.314 967 3HD1 ILE 117 3HD1 ILE 117 -1.142 11.216 -3.821 968 H ALA 118 H ALA 118 -5.248 15.067 -1.304 969 HA ALA 118 HA ALA 118 -6.934 16.649 -2.986 970 1HB ALA 118 1HB ALA 118 -7.803 14.787 -1.663 971 2HB ALA 118 2HB ALA 118 -8.638 16.291 -1.281 972 3HB ALA 118 3HB ALA 118 -7.414 15.655 -0.180 973 H ARG 119 H ARG 119 -4.756 17.346 -0.465 974 HA ARG 119 HA ARG 119 -5.972 19.849 0.305 975 1HB ARG 119 2HB ARG 119 -4.662 18.508 1.907 976 2HB ARG 119 1HB ARG 119 -3.229 18.716 0.912 977 1HG ARG 119 2HG ARG 119 -3.321 21.135 1.308 978 2HG ARG 119 1HG ARG 119 -4.746 20.905 2.325 979 1HD ARG 119 2HD ARG 119 -1.968 19.840 2.816 980 2HD ARG 119 1HD ARG 119 -2.802 21.099 3.728 981 HE ARG 119 HE ARG 119 -3.648 18.271 3.677 982 1HH1 ARG 119 1HH1 ARG 119 -3.204 21.310 5.345 983 2HH1 ARG 119 2HH1 ARG 119 -3.824 20.720 6.858 984 1HH2 ARG 119 1HH2 ARG 119 -4.446 17.476 5.671 985 2HH2 ARG 119 2HH2 ARG 119 -4.488 18.544 7.047 986 H GLU 120 H GLU 120 -3.177 18.770 -1.576 987 HA GLU 120 HA GLU 120 -2.256 21.321 -2.321 988 1HB GLU 120 2HB GLU 120 -1.914 18.613 -3.561 989 2HB GLU 120 1HB GLU 120 -1.132 20.046 -4.205 990 1HG GLU 120 2HG GLU 120 -0.773 18.924 -1.436 991 2HG GLU 120 1HG GLU 120 0.371 18.784 -2.773 992 H ASP 121 H ASP 121 -4.362 19.008 -4.005 993 HA ASP 121 HA ASP 121 -5.684 21.221 -5.324 994 1HB ASP 121 2HB ASP 121 -3.805 20.683 -6.852 995 2HB ASP 121 1HB ASP 121 -4.403 19.029 -6.968 996 H SER 122 H SER 122 -7.632 20.731 -4.518 997 HA SER 122 HA SER 122 -8.586 17.988 -4.607 998 1HB SER 122 2HB SER 122 -10.650 19.161 -3.505 999 2HB SER 122 1HB SER 122 -9.177 18.926 -2.564 1000 HG SER 122 HG SER 122 -8.678 21.041 -2.773 1001 H ARG 123 H ARG 123 -8.691 17.841 -6.921 1002 HA ARG 123 HA ARG 123 -10.737 19.482 -8.192 1003 1HB ARG 123 2HB ARG 123 -8.424 18.818 -9.216 1004 2HB ARG 123 1HB ARG 123 -9.237 17.307 -9.609 1005 1HG ARG 123 2HG ARG 123 -9.484 18.597 -11.526 1006 2HG ARG 123 1HG ARG 123 -11.032 18.768 -10.698 1007 1HD ARG 123 2HD ARG 123 -8.771 20.755 -10.849 1008 2HD ARG 123 1HD ARG 123 -10.417 20.936 -11.449 1009 HE ARG 123 HE ARG 123 -9.747 20.823 -8.574 1010 1HH1 ARG 123 1HH1 ARG 123 -11.546 22.207 -11.248 1011 2HH1 ARG 123 2HH1 ARG 123 -12.391 23.342 -10.232 1012 1HH2 ARG 123 1HH2 ARG 123 -10.892 22.270 -7.256 1013 2HH2 ARG 123 2HH2 ARG 123 -12.064 23.338 -7.973 Start of MODEL 7 1 1H MET 1 1HT MET 1 -10.242 8.490 -4.971 2 2H MET 1 2HT MET 1 -11.628 9.126 -5.712 3 3H MET 1 3HT MET 1 -10.225 10.061 -5.597 4 HA MET 1 HA MET 1 -9.058 8.427 -6.992 5 1HB MET 1 2HB MET 1 -11.872 7.377 -7.352 6 2HB MET 1 1HB MET 1 -10.501 6.921 -8.352 7 1HG MET 1 2HG MET 1 -10.796 5.185 -6.800 8 2HG MET 1 1HG MET 1 -9.386 6.094 -6.258 9 1HE MET 1 1HE MET 1 -10.805 5.057 -2.818 10 2HE MET 1 2HE MET 1 -9.369 5.195 -3.831 11 3HE MET 1 3HE MET 1 -10.665 4.085 -4.284 12 H LEU 2 H LEU 2 -8.532 9.399 -8.781 13 HA LEU 2 HA LEU 2 -10.394 10.515 -10.622 14 1HB LEU 2 2HB LEU 2 -9.595 12.843 -10.538 15 2HB LEU 2 1HB LEU 2 -10.450 12.384 -9.084 16 HG LEU 2 HG LEU 2 -7.448 12.298 -9.145 17 1HD1 LEU 2 1HD1 LEU 2 -9.146 14.724 -8.570 18 2HD1 LEU 2 2HD1 LEU 2 -8.080 14.515 -9.960 19 3HD1 LEU 2 3HD1 LEU 2 -7.403 14.597 -8.333 20 1HD2 LEU 2 1HD2 LEU 2 -9.468 12.809 -6.960 21 2HD2 LEU 2 2HD2 LEU 2 -7.718 12.740 -6.755 22 3HD2 LEU 2 3HD2 LEU 2 -8.607 11.296 -7.237 23 H SER 3 H SER 3 -9.532 9.937 -12.459 24 HA SER 3 HA SER 3 -6.861 8.900 -12.463 25 1HB SER 3 2HB SER 3 -8.960 9.005 -14.635 26 2HB SER 3 1HB SER 3 -7.447 8.105 -14.734 27 HG SER 3 HG SER 3 -8.507 7.384 -12.456 28 H GLN 4 H GLN 4 -6.945 11.750 -12.207 29 HA GLN 4 HA GLN 4 -6.057 12.949 -14.626 30 1HB GLN 4 2HB GLN 4 -5.951 13.669 -11.728 31 2HB GLN 4 1HB GLN 4 -4.880 14.515 -12.829 32 1HG GLN 4 2HG GLN 4 -6.767 15.872 -12.614 33 2HG GLN 4 1HG GLN 4 -6.925 15.093 -14.183 34 1HE2 GLN 4 1HE2 GLN 4 -8.890 16.320 -12.382 35 2HE2 GLN 4 2HE2 GLN 4 -10.107 15.114 -12.123 36 H THR 5 H THR 5 -4.226 12.048 -11.702 37 HA THR 5 HA THR 5 -2.350 10.400 -12.871 38 HB THR 5 HB THR 5 -1.677 12.388 -14.210 39 HG1 THR 5 1HG THR 5 0.554 12.188 -13.744 40 1HG2 THR 5 1HG2 THR 5 -0.888 13.562 -11.542 41 2HG2 THR 5 2HG2 THR 5 -2.206 14.131 -12.567 42 3HG2 THR 5 3HG2 THR 5 -0.537 14.258 -13.125 43 H LEU 6 H LEU 6 -0.570 9.904 -11.437 44 HA LEU 6 HA LEU 6 0.628 9.764 -9.530 45 1HB LEU 6 2HB LEU 6 0.842 12.177 -9.673 46 2HB LEU 6 1HB LEU 6 -0.689 12.385 -8.847 47 HG LEU 6 HG LEU 6 0.304 11.294 -6.841 48 1HD1 LEU 6 1HD1 LEU 6 2.866 11.515 -8.411 49 2HD1 LEU 6 2HD1 LEU 6 2.054 10.018 -7.951 50 3HD1 LEU 6 3HD1 LEU 6 2.731 11.073 -6.710 51 1HD2 LEU 6 1HD2 LEU 6 1.671 13.233 -6.199 52 2HD2 LEU 6 2HD2 LEU 6 0.170 13.705 -6.998 53 3HD2 LEU 6 3HD2 LEU 6 1.695 13.755 -7.884 54 H LEU 7 H LEU 7 -2.497 11.150 -8.452 55 HA LEU 7 HA LEU 7 -2.353 9.902 -5.935 56 1HB LEU 7 2HB LEU 7 -3.695 11.909 -6.456 57 2HB LEU 7 1HB LEU 7 -4.812 10.907 -7.356 58 HG LEU 7 HG LEU 7 -5.440 9.713 -5.326 59 1HD1 LEU 7 1HD1 LEU 7 -4.627 10.425 -3.138 60 2HD1 LEU 7 2HD1 LEU 7 -3.520 11.560 -3.913 61 3HD1 LEU 7 3HD1 LEU 7 -3.308 9.823 -4.144 62 1HD2 LEU 7 1HD2 LEU 7 -6.562 11.540 -4.159 63 2HD2 LEU 7 2HD2 LEU 7 -6.666 11.734 -5.908 64 3HD2 LEU 7 3HD2 LEU 7 -5.524 12.705 -4.980 65 H GLU 8 H GLU 8 -3.711 8.825 -8.951 66 HA GLU 8 HA GLU 8 -5.470 6.874 -8.102 67 1HB GLU 8 2HB GLU 8 -3.714 6.937 -10.554 68 2HB GLU 8 1HB GLU 8 -5.021 5.791 -10.304 69 1HG GLU 8 2HG GLU 8 -5.353 8.777 -10.358 70 2HG GLU 8 1HG GLU 8 -5.656 7.703 -11.722 71 H MET 9 H MET 9 -1.935 6.649 -8.413 72 HA MET 9 HA MET 9 -1.827 3.849 -7.995 73 1HB MET 9 2HB MET 9 0.230 6.008 -7.541 74 2HB MET 9 1HB MET 9 0.564 4.309 -7.244 75 1HG MET 9 2HG MET 9 1.363 4.503 -9.362 76 2HG MET 9 1HG MET 9 -0.304 4.058 -9.720 77 1HE MET 9 1HE MET 9 1.547 8.250 -10.141 78 2HE MET 9 2HE MET 9 2.448 6.761 -9.848 79 3HE MET 9 3HE MET 9 1.427 7.439 -8.580 80 H THR 10 H THR 10 -2.021 6.591 -5.836 81 HA THR 10 HA THR 10 -1.593 5.103 -3.430 82 HB THR 10 HB THR 10 -3.085 7.718 -3.712 83 HG1 THR 10 1HG THR 10 -1.227 8.490 -4.352 84 1HG2 THR 10 1HG2 THR 10 -1.514 6.521 -1.430 85 2HG2 THR 10 2HG2 THR 10 -3.271 6.659 -1.518 86 3HG2 THR 10 3HG2 THR 10 -2.272 8.114 -1.428 87 H GLU 11 H GLU 11 -4.432 6.348 -5.153 88 HA GLU 11 HA GLU 11 -6.450 5.464 -3.464 89 1HB GLU 11 2HB GLU 11 -6.516 5.595 -6.487 90 2HB GLU 11 1HB GLU 11 -7.916 5.583 -5.428 91 1HG GLU 11 2HG GLU 11 -5.819 7.738 -5.504 92 2HG GLU 11 1HG GLU 11 -7.389 7.814 -6.298 93 H GLN 12 H GLN 12 -4.902 3.784 -6.175 94 HA GLN 12 HA GLN 12 -6.369 1.389 -6.011 95 1HB GLN 12 2HB GLN 12 -5.044 1.923 -7.968 96 2HB GLN 12 1HB GLN 12 -3.571 1.946 -7.010 97 1HG GLN 12 2HG GLN 12 -3.721 -0.427 -6.639 98 2HG GLN 12 1HG GLN 12 -5.275 -0.488 -7.470 99 1HE2 GLN 12 1HE2 GLN 12 -4.460 -1.990 -8.949 100 2HE2 GLN 12 2HE2 GLN 12 -3.376 -1.522 -10.224 101 H MET 13 H MET 13 -3.253 2.333 -4.586 102 HA MET 13 HA MET 13 -2.698 -0.093 -3.302 103 1HB MET 13 2HB MET 13 -1.035 1.703 -3.636 104 2HB MET 13 1HB MET 13 -1.874 2.690 -2.446 105 1HG MET 13 2HG MET 13 -1.341 1.115 -0.699 106 2HG MET 13 1HG MET 13 -0.631 0.009 -1.874 107 1HE MET 13 1HE MET 13 0.885 2.038 -3.787 108 2HE MET 13 2HE MET 13 1.622 0.540 -3.221 109 3HE MET 13 3HE MET 13 2.495 2.066 -3.073 110 H ILE 14 H ILE 14 -4.570 2.712 -2.263 111 HA ILE 14 HA ILE 14 -5.080 2.051 0.384 112 HB ILE 14 HB ILE 14 -6.883 3.378 -1.651 113 1HG1 ILE 14 2HG1 ILE 14 -4.792 4.572 -1.045 114 2HG1 ILE 14 1HG1 ILE 14 -6.242 5.450 -0.570 115 1HG2 ILE 14 1HG2 ILE 14 -7.295 3.132 1.325 116 2HG2 ILE 14 2HG2 ILE 14 -8.292 2.419 0.058 117 3HG2 ILE 14 3HG2 ILE 14 -8.232 4.171 0.250 118 1HD1 ILE 14 1HD1 ILE 14 -4.435 3.844 1.219 119 2HD1 ILE 14 2HD1 ILE 14 -5.941 4.605 1.730 120 3HD1 ILE 14 3HD1 ILE 14 -4.596 5.600 1.169 121 H GLU 15 H GLU 15 -6.920 1.097 -2.522 122 HA GLU 15 HA GLU 15 -8.827 -0.403 -1.056 123 1HB GLU 15 2HB GLU 15 -9.195 0.523 -3.353 124 2HB GLU 15 1HB GLU 15 -8.132 -0.735 -3.975 125 1HG GLU 15 2HG GLU 15 -9.655 -2.427 -3.000 126 2HG GLU 15 1HG GLU 15 -10.747 -1.122 -2.540 127 H VAL 16 H VAL 16 -5.796 -1.272 -2.655 128 HA VAL 16 HA VAL 16 -6.081 -4.068 -2.501 129 HB VAL 16 HB VAL 16 -3.522 -2.454 -2.371 130 1HG1 VAL 16 1HG1 VAL 16 -2.406 -4.488 -3.131 131 2HG1 VAL 16 2HG1 VAL 16 -3.934 -5.365 -3.059 132 3HG1 VAL 16 3HG1 VAL 16 -3.199 -4.749 -1.579 133 1HG2 VAL 16 1HG2 VAL 16 -4.816 -1.979 -4.378 134 2HG2 VAL 16 2HG2 VAL 16 -4.943 -3.706 -4.719 135 3HG2 VAL 16 3HG2 VAL 16 -3.371 -2.908 -4.776 136 H ALA 17 H ALA 17 -4.768 -1.729 -0.187 137 HA ALA 17 HA ALA 17 -3.943 -3.618 1.747 138 1HB ALA 17 1HB ALA 17 -4.758 -0.739 2.134 139 2HB ALA 17 2HB ALA 17 -3.136 -1.324 1.772 140 3HB ALA 17 3HB ALA 17 -3.894 -1.730 3.311 141 H GLU 18 H GLU 18 -6.898 -1.642 1.513 142 HA GLU 18 HA GLU 18 -8.240 -2.674 3.717 143 1HB GLU 18 2HB GLU 18 -9.237 -1.535 1.114 144 2HB GLU 18 1HB GLU 18 -10.296 -1.939 2.447 145 1HG GLU 18 2HG GLU 18 -8.006 -0.016 2.655 146 2HG GLU 18 1HG GLU 18 -9.663 0.458 2.302 147 H LYS 19 H LYS 19 -8.178 -3.820 0.358 148 HA LYS 19 HA LYS 19 -10.033 -5.923 0.706 149 1HB LYS 19 2HB LYS 19 -8.020 -5.181 -1.343 150 2HB LYS 19 1HB LYS 19 -8.511 -6.866 -1.306 151 1HG LYS 19 2HG LYS 19 -10.864 -6.153 -1.535 152 2HG LYS 19 1HG LYS 19 -10.314 -4.480 -1.672 153 1HD LYS 19 2HD LYS 19 -9.199 -4.912 -3.707 154 2HD LYS 19 1HD LYS 19 -9.305 -6.658 -3.482 155 1HE LYS 19 2HE LYS 19 -10.892 -5.954 -5.162 156 2HE LYS 19 1HE LYS 19 -11.748 -6.524 -3.732 157 1HZ LYS 19 1HZ LYS 19 -12.682 -4.473 -4.694 158 2HZ LYS 19 2HZ LYS 19 -11.233 -3.665 -4.353 159 3HZ LYS 19 3HZ LYS 19 -12.185 -4.272 -3.087 160 H GLY 20 H GLY 20 -6.491 -5.805 0.926 161 1HA GLY 20 2HA GLY 20 -6.050 -8.557 1.281 162 2HA GLY 20 1HA GLY 20 -4.978 -7.275 1.825 163 H ALA 21 H ALA 21 -6.391 -5.998 3.732 164 HA ALA 21 HA ALA 21 -6.080 -7.613 5.985 165 1HB ALA 21 1HB ALA 21 -7.157 -5.828 7.234 166 2HB ALA 21 2HB ALA 21 -7.770 -5.127 5.735 167 3HB ALA 21 3HB ALA 21 -6.033 -5.162 6.050 168 H ASP 22 H ASP 22 -9.004 -6.747 4.201 169 HA ASP 22 HA ASP 22 -10.772 -8.155 5.952 170 1HB ASP 22 2HB ASP 22 -11.780 -6.406 4.764 171 2HB ASP 22 1HB ASP 22 -11.039 -6.879 3.240 172 H ARG 23 H ARG 23 -9.106 -8.974 2.938 173 HA ARG 23 HA ARG 23 -10.527 -11.399 2.520 174 1HB ARG 23 2HB ARG 23 -8.758 -9.990 1.026 175 2HB ARG 23 1HB ARG 23 -7.719 -11.289 1.600 176 1HG ARG 23 2HG ARG 23 -8.509 -12.218 -0.328 177 2HG ARG 23 1HG ARG 23 -9.716 -12.803 0.815 178 1HD ARG 23 2HD ARG 23 -9.958 -10.463 -1.071 179 2HD ARG 23 1HD ARG 23 -10.838 -11.985 -1.146 180 HE ARG 23 HE ARG 23 -11.210 -10.230 1.179 181 1HH1 ARG 23 1HH1 ARG 23 -12.501 -11.764 -1.694 182 2HH1 ARG 23 2HH1 ARG 23 -14.137 -11.260 -1.375 183 1HH2 ARG 23 1HH2 ARG 23 -13.367 -9.559 1.597 184 2HH2 ARG 23 2HH2 ARG 23 -14.627 -10.022 0.480 185 H TYR 24 H TYR 24 -7.603 -10.542 4.284 186 HA TYR 24 HA TYR 24 -6.974 -13.195 5.100 187 1HB TYR 24 2HB TYR 24 -5.265 -11.473 5.177 188 2HB TYR 24 1HB TYR 24 -6.224 -10.519 6.304 189 HD1 TYR 24 1HD TYR 24 -4.444 -13.774 5.965 190 HD2 TYR 24 2HD TYR 24 -5.990 -10.830 8.620 191 HE1 TYR 24 1HE TYR 24 -3.363 -14.918 7.855 192 HE2 TYR 24 2HE TYR 24 -4.913 -11.965 10.514 193 HH TYR 24 HH TYR 24 -2.591 -14.438 10.104 194 H GLN 25 H GLN 25 -9.031 -10.642 6.388 195 HA GLN 25 HA GLN 25 -9.462 -11.858 8.906 196 1HB GLN 25 2HB GLN 25 -10.889 -10.130 9.369 197 2HB GLN 25 1HB GLN 25 -9.985 -9.416 8.055 198 1HG GLN 25 2HG GLN 25 -11.757 -9.732 6.539 199 2HG GLN 25 1HG GLN 25 -12.612 -10.805 7.650 200 1HE2 GLN 25 1HE2 GLN 25 -13.436 -8.272 6.351 201 2HE2 GLN 25 2HE2 GLN 25 -13.917 -7.240 7.660 202 H GLU 26 H GLU 26 -10.838 -12.381 5.760 203 HA GLU 26 HA GLU 26 -12.973 -14.050 6.676 204 1HB GLU 26 2HB GLU 26 -11.641 -13.713 3.996 205 2HB GLU 26 1HB GLU 26 -12.915 -14.896 4.267 206 1HG GLU 26 2HG GLU 26 -13.138 -11.914 4.598 207 2HG GLU 26 1HG GLU 26 -13.841 -12.893 3.308 208 H GLY 27 H GLY 27 -9.657 -14.618 5.568 209 1HA GLY 27 2HA GLY 27 -9.963 -17.456 6.309 210 2HA GLY 27 1HA GLY 27 -8.741 -16.828 5.216 211 H LYS 28 H LYS 28 -9.808 -16.627 8.598 212 HA LYS 28 HA LYS 28 -7.102 -15.846 9.395 213 1HB LYS 28 2HB LYS 28 -9.695 -15.926 10.943 214 2HB LYS 28 1HB LYS 28 -8.149 -15.466 11.636 215 1HG LYS 28 2HG LYS 28 -8.018 -13.562 10.141 216 2HG LYS 28 1HG LYS 28 -9.533 -14.043 9.376 217 1HD LYS 28 2HD LYS 28 -9.200 -13.273 12.278 218 2HD LYS 28 1HD LYS 28 -9.862 -12.236 11.013 219 1HE LYS 28 2HE LYS 28 -11.642 -13.939 10.637 220 2HE LYS 28 1HE LYS 28 -11.019 -14.832 12.024 221 1HZ LYS 28 1HZ LYS 28 -12.856 -13.487 12.718 222 2HZ LYS 28 2HZ LYS 28 -12.169 -12.091 12.044 223 3HZ LYS 28 3HZ LYS 28 -11.439 -12.830 13.385 224 H ASN 29 H ASN 29 -9.273 -18.556 9.509 225 HA ASN 29 HA ASN 29 -7.757 -19.722 11.745 226 1HB ASN 29 2HB ASN 29 -10.517 -20.367 10.702 227 2HB ASN 29 1HB ASN 29 -9.725 -21.219 12.026 228 1HD2 ASN 29 1HD2 ASN 29 -12.187 -19.645 11.985 229 2HD2 ASN 29 2HD2 ASN 29 -11.983 -18.407 13.177 230 H SER 30 H SER 30 -7.785 -19.925 8.460 231 HA SER 30 HA SER 30 -7.018 -22.759 8.560 232 1HB SER 30 2HB SER 30 -7.826 -22.839 6.139 233 2HB SER 30 1HB SER 30 -9.067 -22.732 7.387 234 HG SER 30 HG SER 30 -9.721 -21.107 6.232 235 H ASN 31 H ASN 31 -5.090 -23.291 7.791 236 HA ASN 31 HA ASN 31 -3.541 -21.226 6.367 237 1HB ASN 31 2HB ASN 31 -2.488 -21.913 8.448 238 2HB ASN 31 1HB ASN 31 -2.624 -23.610 7.997 239 1HD2 ASN 31 1HD2 ASN 31 -1.189 -24.491 6.571 240 2HD2 ASN 31 2HD2 ASN 31 0.236 -23.667 6.035 241 H HIS 32 H HIS 32 -3.276 -21.533 4.266 242 HA HIS 32 HA HIS 32 -3.048 -24.258 3.230 243 1HB HIS 32 2HB HIS 32 -4.931 -22.142 2.171 244 2HB HIS 32 1HB HIS 32 -4.474 -23.573 1.259 245 HD1 HIS 32 1HD HIS 32 -7.004 -22.350 3.491 246 HD2 HIS 32 2HD HIS 32 -5.251 -26.051 2.735 247 HE1 HIS 32 1HE HIS 32 -8.608 -24.064 4.400 248 HE2 HIS 32 2HE HIS 32 -7.461 -26.283 4.066 249 H SER 33 H SER 33 -1.582 -24.471 1.612 250 HA SER 33 HA SER 33 0.065 -22.230 0.940 251 1HB SER 33 2HB SER 33 0.007 -25.013 -0.259 252 2HB SER 33 1HB SER 33 1.287 -23.819 -0.477 253 HG SER 33 HG SER 33 0.487 -24.995 1.988 254 H TYR 34 H TYR 34 -1.188 -20.723 -0.091 255 HA TYR 34 HA TYR 34 -2.886 -21.206 -2.283 256 1HB TYR 34 2HB TYR 34 -1.404 -18.765 -1.322 257 2HB TYR 34 1HB TYR 34 -2.369 -18.727 -2.790 258 HD1 TYR 34 1HD TYR 34 -4.277 -17.500 -2.384 259 HD2 TYR 34 2HD TYR 34 -2.982 -20.277 0.564 260 HE1 TYR 34 1HE TYR 34 -6.281 -17.008 -1.049 261 HE2 TYR 34 2HE TYR 34 -4.985 -19.797 1.907 262 HH TYR 34 HH TYR 34 -7.653 -18.080 0.695 263 H ASP 35 H ASP 35 -2.493 -21.378 -4.443 264 HA ASP 35 HA ASP 35 -0.084 -22.468 -5.257 265 1HB ASP 35 2HB ASP 35 -2.270 -22.732 -6.434 266 2HB ASP 35 1HB ASP 35 -2.067 -21.103 -7.078 267 H PHE 36 H PHE 36 1.770 -21.733 -5.979 268 HA PHE 36 HA PHE 36 2.385 -18.993 -5.443 269 1HB PHE 36 2HB PHE 36 3.798 -21.051 -4.912 270 2HB PHE 36 1HB PHE 36 4.236 -21.067 -6.616 271 HD1 PHE 36 1HD PHE 36 4.175 -18.764 -3.686 272 HD2 PHE 36 2HD PHE 36 6.138 -19.945 -7.274 273 HE1 PHE 36 1HE PHE 36 5.993 -17.180 -3.207 274 HE2 PHE 36 2HE PHE 36 7.957 -18.356 -6.799 275 HZ PHE 36 HZ PHE 36 7.884 -16.974 -4.763 276 H PHE 37 H PHE 37 1.209 -20.481 -8.192 277 HA PHE 37 HA PHE 37 2.435 -18.409 -9.899 278 1HB PHE 37 2HB PHE 37 1.263 -21.074 -10.721 279 2HB PHE 37 1HB PHE 37 1.887 -19.857 -11.829 280 HD1 PHE 37 1HD PHE 37 4.349 -19.164 -11.516 281 HD2 PHE 37 2HD PHE 37 2.654 -22.718 -9.907 282 HE1 PHE 37 1HE PHE 37 6.595 -20.148 -11.333 283 HE2 PHE 37 2HE PHE 37 4.895 -23.711 -9.724 284 HZ PHE 37 HZ PHE 37 6.871 -22.425 -10.436 285 H GLU 38 H GLU 38 -0.534 -20.072 -9.025 286 HA GLU 38 HA GLU 38 -2.267 -18.693 -10.754 287 1HB GLU 38 2HB GLU 38 -2.724 -20.095 -8.132 288 2HB GLU 38 1HB GLU 38 -4.034 -19.360 -9.045 289 1HG GLU 38 2HG GLU 38 -2.210 -21.544 -10.020 290 2HG GLU 38 1HG GLU 38 -3.880 -21.738 -9.483 291 H THR 39 H THR 39 -1.811 -18.145 -7.244 292 HA THR 39 HA THR 39 -3.162 -15.578 -7.661 293 HB THR 39 HB THR 39 -4.197 -17.233 -6.084 294 HG1 THR 39 1HG THR 39 -4.953 -15.602 -4.936 295 1HG2 THR 39 1HG2 THR 39 -3.230 -17.464 -3.849 296 2HG2 THR 39 2HG2 THR 39 -1.816 -16.545 -4.362 297 3HG2 THR 39 3HG2 THR 39 -2.153 -18.118 -5.083 298 H ILE 40 H ILE 40 -0.134 -16.959 -6.693 299 HA ILE 40 HA ILE 40 0.720 -14.394 -5.558 300 HB ILE 40 HB ILE 40 2.327 -16.956 -5.612 301 1HG1 ILE 40 2HG1 ILE 40 0.520 -15.905 -3.417 302 2HG1 ILE 40 1HG1 ILE 40 0.194 -17.315 -4.418 303 1HG2 ILE 40 1HG2 ILE 40 3.547 -15.891 -3.757 304 2HG2 ILE 40 2HG2 ILE 40 2.545 -14.453 -3.935 305 3HG2 ILE 40 3HG2 ILE 40 3.631 -14.936 -5.235 306 1HD1 ILE 40 1HD1 ILE 40 2.185 -18.409 -3.492 307 2HD1 ILE 40 2HD1 ILE 40 1.008 -17.986 -2.249 308 3HD1 ILE 40 3HD1 ILE 40 2.458 -17.003 -2.463 309 H LYS 41 H LYS 41 0.364 -13.836 -8.005 310 HA LYS 41 HA LYS 41 3.037 -13.560 -9.089 311 1HB LYS 41 2HB LYS 41 0.871 -15.067 -10.479 312 2HB LYS 41 1HB LYS 41 1.933 -14.061 -11.448 313 1HG LYS 41 2HG LYS 41 2.953 -16.160 -9.557 314 2HG LYS 41 1HG LYS 41 2.546 -16.499 -11.238 315 1HD LYS 41 2HD LYS 41 4.834 -16.088 -11.321 316 2HD LYS 41 1HD LYS 41 4.136 -14.538 -11.786 317 1HE LYS 41 2HE LYS 41 4.375 -13.812 -9.401 318 2HE LYS 41 1HE LYS 41 5.257 -15.311 -9.098 319 1HZ LYS 41 1HZ LYS 41 6.798 -14.593 -10.918 320 2HZ LYS 41 2HZ LYS 41 6.855 -13.650 -9.512 321 3HZ LYS 41 3HZ LYS 41 6.032 -13.076 -10.880 322 HA PRO 42 HA PRO 42 0.139 -10.564 -11.605 323 1HB PRO 42 2HB PRO 42 -2.296 -10.574 -9.902 324 2HB PRO 42 1HB PRO 42 -2.149 -10.493 -11.663 325 1HG PRO 42 2HG PRO 42 -2.929 -12.739 -10.480 326 2HG PRO 42 1HG PRO 42 -1.831 -12.780 -11.873 327 1HD PRO 42 2HD PRO 42 -1.216 -13.121 -8.964 328 2HD PRO 42 1HD PRO 42 -0.563 -13.992 -10.365 329 H ALA 43 H ALA 43 -0.751 -10.565 -8.144 330 HA ALA 43 HA ALA 43 -0.597 -7.747 -7.881 331 1HB ALA 43 1HB ALA 43 -0.769 -8.143 -5.487 332 2HB ALA 43 2HB ALA 43 -0.436 -9.857 -5.733 333 3HB ALA 43 3HB ALA 43 -1.919 -9.147 -6.370 334 H VAL 44 H VAL 44 1.743 -10.323 -7.439 335 HA VAL 44 HA VAL 44 3.621 -8.960 -5.876 336 HB VAL 44 HB VAL 44 4.228 -11.078 -7.944 337 1HG1 VAL 44 1HG1 VAL 44 6.222 -9.960 -7.121 338 2HG1 VAL 44 2HG1 VAL 44 6.137 -11.606 -6.498 339 3HG1 VAL 44 3HG1 VAL 44 5.719 -10.249 -5.454 340 1HG2 VAL 44 1HG2 VAL 44 3.445 -11.399 -5.049 341 2HG2 VAL 44 2HG2 VAL 44 3.961 -12.695 -6.128 342 3HG2 VAL 44 3HG2 VAL 44 2.462 -11.827 -6.448 343 H GLU 45 H GLU 45 3.623 -9.431 -9.421 344 HA GLU 45 HA GLU 45 5.820 -7.742 -9.892 345 1HB GLU 45 2HB GLU 45 3.659 -8.913 -11.588 346 2HB GLU 45 1HB GLU 45 4.708 -7.680 -12.267 347 1HG GLU 45 2HG GLU 45 5.522 -9.873 -12.818 348 2HG GLU 45 1HG GLU 45 6.659 -9.055 -11.757 349 H GLU 46 H GLU 46 2.356 -7.123 -9.779 350 HA GLU 46 HA GLU 46 2.371 -4.540 -10.913 351 1HB GLU 46 2HB GLU 46 0.364 -5.952 -10.538 352 2HB GLU 46 1HB GLU 46 0.509 -5.634 -8.833 353 1HG GLU 46 2HG GLU 46 0.252 -3.220 -9.297 354 2HG GLU 46 1HG GLU 46 -0.056 -3.623 -10.987 355 H ASN 47 H ASN 47 2.027 -5.543 -7.581 356 HA ASN 47 HA ASN 47 2.035 -2.951 -6.508 357 1HB ASN 47 2HB ASN 47 2.557 -5.609 -5.184 358 2HB ASN 47 1HB ASN 47 2.360 -4.098 -4.303 359 1HD2 ASN 47 1HD2 ASN 47 0.342 -3.096 -6.179 360 2HD2 ASN 47 2HD2 ASN 47 -1.106 -3.967 -5.830 361 H ASP 48 H ASP 48 4.696 -5.155 -7.153 362 HA ASP 48 HA ASP 48 6.614 -3.857 -5.533 363 1HB ASP 48 2HB ASP 48 6.953 -6.111 -6.496 364 2HB ASP 48 1HB ASP 48 7.089 -5.391 -8.098 365 H GLU 49 H GLU 49 5.788 -3.453 -8.974 366 HA GLU 49 HA GLU 49 7.582 -1.258 -9.353 367 1HB GLU 49 2HB GLU 49 5.215 -2.200 -10.981 368 2HB GLU 49 1HB GLU 49 6.313 -0.923 -11.484 369 1HG GLU 49 2HG GLU 49 8.170 -2.560 -11.381 370 2HG GLU 49 1HG GLU 49 6.984 -3.818 -11.036 371 H LEU 50 H LEU 50 4.185 -1.617 -8.585 372 HA LEU 50 HA LEU 50 3.310 1.015 -8.912 373 1HB LEU 50 2HB LEU 50 2.012 -1.164 -8.375 374 2HB LEU 50 1HB LEU 50 2.347 -0.781 -6.699 375 HG LEU 50 HG LEU 50 1.214 1.449 -7.103 376 1HD1 LEU 50 1HD1 LEU 50 -0.315 1.566 -9.000 377 2HD1 LEU 50 2HD1 LEU 50 0.297 0.021 -9.594 378 3HD1 LEU 50 3HD1 LEU 50 1.358 1.431 -9.542 379 1HD2 LEU 50 1HD2 LEU 50 0.139 -0.372 -5.891 380 2HD2 LEU 50 2HD2 LEU 50 -0.409 -1.073 -7.414 381 3HD2 LEU 50 3HD2 LEU 50 -1.030 0.493 -6.889 382 H ALA 51 H ALA 51 4.463 -0.614 -5.966 383 HA ALA 51 HA ALA 51 4.295 1.668 -4.312 384 1HB ALA 51 1HB ALA 51 5.575 0.389 -2.703 385 2HB ALA 51 2HB ALA 51 6.032 -0.769 -3.952 386 3HB ALA 51 3HB ALA 51 4.347 -0.631 -3.451 387 H ALA 52 H ALA 52 6.796 0.473 -6.440 388 HA ALA 52 HA ALA 52 8.942 2.035 -5.477 389 1HB ALA 52 1HB ALA 52 9.256 0.131 -6.991 390 2HB ALA 52 2HB ALA 52 9.997 1.600 -7.628 391 3HB ALA 52 3HB ALA 52 8.460 1.031 -8.282 392 H ARG 53 H ARG 53 6.738 2.559 -8.216 393 HA ARG 53 HA ARG 53 7.638 5.176 -8.745 394 1HB ARG 53 2HB ARG 53 5.843 3.295 -9.884 395 2HB ARG 53 1HB ARG 53 4.977 4.813 -9.694 396 1HG ARG 53 2HG ARG 53 6.864 5.951 -10.832 397 2HG ARG 53 1HG ARG 53 7.582 4.373 -11.133 398 1HD ARG 53 2HD ARG 53 5.531 3.731 -12.361 399 2HD ARG 53 1HD ARG 53 4.927 5.373 -12.141 400 HE ARG 53 HE ARG 53 7.207 5.914 -13.324 401 1HH1 ARG 53 1HH1 ARG 53 4.857 3.434 -14.080 402 2HH1 ARG 53 2HH1 ARG 53 5.334 3.317 -15.746 403 1HH2 ARG 53 1HH2 ARG 53 7.809 5.801 -15.522 404 2HH2 ARG 53 2HH2 ARG 53 7.005 4.665 -16.575 405 H TRP 54 H TRP 54 5.133 3.860 -6.684 406 HA TRP 54 HA TRP 54 3.769 6.232 -6.086 407 1HB TRP 54 2HB TRP 54 2.940 4.028 -5.400 408 2HB TRP 54 1HB TRP 54 4.304 3.845 -4.302 409 HD1 TRP 54 HD TRP 54 1.099 5.923 -4.729 410 HE1 TRP 54 1HE TRP 54 0.392 6.813 -2.425 411 HE3 TRP 54 3HE TRP 54 5.118 4.347 -1.991 412 HZ2 TRP 54 2HZ TRP 54 1.413 6.850 0.211 413 HZ3 TRP 54 3HZ TRP 54 5.177 4.853 0.414 414 HH2 TRP 54 HH TRP 54 3.363 6.080 1.494 415 H ALA 55 H ALA 55 6.568 4.710 -4.518 416 HA ALA 55 HA ALA 55 7.016 6.625 -2.539 417 1HB ALA 55 1HB ALA 55 8.119 4.434 -2.578 418 2HB ALA 55 2HB ALA 55 9.280 5.752 -2.422 419 3HB ALA 55 3HB ALA 55 9.068 4.946 -3.975 420 H GLU 56 H GLU 56 8.289 6.441 -5.852 421 HA GLU 56 HA GLU 56 9.936 8.647 -5.814 422 1HB GLU 56 2HB GLU 56 10.022 6.950 -7.518 423 2HB GLU 56 1HB GLU 56 8.362 7.280 -7.994 424 1HG GLU 56 2HG GLU 56 8.939 9.383 -8.837 425 2HG GLU 56 1HG GLU 56 10.555 9.272 -8.158 426 H GLY 57 H GLY 57 6.498 8.303 -6.627 427 1HA GLY 57 2HA GLY 57 6.057 10.990 -7.386 428 2HA GLY 57 1HA GLY 57 4.820 9.859 -6.865 429 H ALA 58 H ALA 58 5.612 9.330 -4.274 430 HA ALA 58 HA ALA 58 4.603 11.560 -2.872 431 1HB ALA 58 1HB ALA 58 6.152 9.214 -1.768 432 2HB ALA 58 2HB ALA 58 4.414 9.244 -2.068 433 3HB ALA 58 3HB ALA 58 5.118 10.310 -0.853 434 H LEU 59 H LEU 59 7.905 10.348 -3.319 435 HA LEU 59 HA LEU 59 9.233 12.169 -1.678 436 1HB LEU 59 2HB LEU 59 10.045 10.686 -4.164 437 2HB LEU 59 1HB LEU 59 11.150 11.695 -3.271 438 HG LEU 59 HG LEU 59 9.741 9.271 -2.160 439 1HD1 LEU 59 1HD1 LEU 59 11.951 8.224 -2.208 440 2HD1 LEU 59 2HD1 LEU 59 12.616 9.657 -2.992 441 3HD1 LEU 59 3HD1 LEU 59 11.416 8.671 -3.828 442 1HD2 LEU 59 1HD2 LEU 59 11.905 11.002 -0.965 443 2HD2 LEU 59 2HD2 LEU 59 11.216 9.547 -0.242 444 3HD2 LEU 59 3HD2 LEU 59 10.213 10.981 -0.468 445 H GLU 60 H GLU 60 8.250 12.374 -5.067 446 HA GLU 60 HA GLU 60 9.495 14.759 -5.771 447 1HB GLU 60 2HB GLU 60 8.270 13.247 -7.322 448 2HB GLU 60 1HB GLU 60 6.753 13.818 -6.643 449 1HG GLU 60 2HG GLU 60 7.093 14.971 -8.684 450 2HG GLU 60 1HG GLU 60 7.386 16.121 -7.381 451 H LEU 61 H LEU 61 6.368 14.245 -4.173 452 HA LEU 61 HA LEU 61 5.589 16.960 -4.192 453 1HB LEU 61 2HB LEU 61 4.694 14.526 -2.742 454 2HB LEU 61 1HB LEU 61 4.188 16.083 -2.119 455 HG LEU 61 HG LEU 61 2.477 15.135 -3.565 456 1HD1 LEU 61 1HD1 LEU 61 2.188 17.024 -5.098 457 2HD1 LEU 61 2HD1 LEU 61 3.854 17.515 -4.797 458 3HD1 LEU 61 3HD1 LEU 61 2.675 17.548 -3.486 459 1HD2 LEU 61 1HD2 LEU 61 2.857 14.811 -5.950 460 2HD2 LEU 61 2HD2 LEU 61 3.918 13.775 -4.995 461 3HD2 LEU 61 3HD2 LEU 61 4.558 15.237 -5.745 462 H ILE 62 H ILE 62 7.401 15.048 -1.821 463 HA ILE 62 HA ILE 62 7.170 17.021 0.222 464 HB ILE 62 HB ILE 62 8.696 15.737 1.537 465 1HG1 ILE 62 2HG1 ILE 62 9.281 14.091 -0.936 466 2HG1 ILE 62 1HG1 ILE 62 10.371 15.284 -0.245 467 1HG2 ILE 62 1HG2 ILE 62 6.441 14.861 1.340 468 2HG2 ILE 62 2HG2 ILE 62 7.600 13.538 1.485 469 3HG2 ILE 62 3HG2 ILE 62 6.906 13.933 -0.087 470 1HD1 ILE 62 1HD1 ILE 62 10.566 13.979 1.780 471 2HD1 ILE 62 2HD1 ILE 62 10.982 13.002 0.370 472 3HD1 ILE 62 3HD1 ILE 62 9.413 12.802 1.151 473 H LYS 63 H LYS 63 9.620 16.397 -2.254 474 HA LYS 63 HA LYS 63 11.362 18.407 -1.118 475 1HB LYS 63 2HB LYS 63 12.707 17.992 -3.279 476 2HB LYS 63 1HB LYS 63 12.657 16.744 -2.050 477 1HG LYS 63 2HG LYS 63 12.411 15.597 -4.046 478 2HG LYS 63 1HG LYS 63 10.767 15.713 -3.424 479 1HD LYS 63 2HD LYS 63 10.585 16.231 -5.700 480 2HD LYS 63 1HD LYS 63 10.549 17.794 -4.884 481 1HE LYS 63 2HE LYS 63 12.846 18.200 -5.435 482 2HE LYS 63 1HE LYS 63 13.029 16.563 -6.064 483 1HZ LYS 63 1HZ LYS 63 11.440 18.775 -7.220 484 2HZ LYS 63 2HZ LYS 63 11.262 17.169 -7.713 485 3HZ LYS 63 3HZ LYS 63 12.752 17.959 -7.917 486 H VAL 64 H VAL 64 8.805 18.360 -3.430 487 HA VAL 64 HA VAL 64 9.541 20.872 -4.631 488 HB VAL 64 HB VAL 64 6.957 19.310 -4.686 489 1HG1 VAL 64 1HG1 VAL 64 6.462 21.719 -4.807 490 2HG1 VAL 64 2HG1 VAL 64 6.127 20.895 -6.330 491 3HG1 VAL 64 3HG1 VAL 64 7.588 21.869 -6.160 492 1HG2 VAL 64 1HG2 VAL 64 7.542 18.996 -7.046 493 2HG2 VAL 64 2HG2 VAL 64 8.791 18.363 -5.975 494 3HG2 VAL 64 3HG2 VAL 64 9.030 19.907 -6.794 495 H ARG 65 H ARG 65 7.087 19.863 -2.236 496 HA ARG 65 HA ARG 65 6.976 22.670 -1.355 497 1HB ARG 65 2HB ARG 65 5.013 20.414 -0.962 498 2HB ARG 65 1HB ARG 65 4.923 21.921 -0.066 499 1HG ARG 65 2HG ARG 65 4.887 23.034 -2.397 500 2HG ARG 65 1HG ARG 65 4.439 21.421 -2.967 501 1HD ARG 65 2HD ARG 65 2.561 21.384 -1.413 502 2HD ARG 65 1HD ARG 65 3.020 22.971 -0.803 503 HE ARG 65 HE ARG 65 1.409 22.436 -3.052 504 1HH1 ARG 65 1HH1 ARG 65 4.026 24.584 -2.077 505 2HH1 ARG 65 2HH1 ARG 65 3.502 25.881 -3.107 506 1HH2 ARG 65 1HH2 ARG 65 0.706 24.130 -4.339 507 2HH2 ARG 65 2HH2 ARG 65 1.601 25.621 -4.399 508 H ARG 66 H ARG 66 5.859 20.137 0.674 509 HA ARG 66 HA ARG 66 8.061 19.485 2.218 510 1HB ARG 66 2HB ARG 66 7.850 22.082 2.596 511 2HB ARG 66 1HB ARG 66 6.501 21.638 3.630 512 1HG ARG 66 2HG ARG 66 8.123 21.647 5.197 513 2HG ARG 66 1HG ARG 66 8.336 19.989 4.631 514 1HD ARG 66 2HD ARG 66 9.907 22.401 3.725 515 2HD ARG 66 1HD ARG 66 10.480 21.136 4.807 516 HE ARG 66 HE ARG 66 9.915 19.679 2.685 517 1HH1 ARG 66 1HH1 ARG 66 11.506 22.794 2.854 518 2HH1 ARG 66 2HH1 ARG 66 12.443 22.538 1.412 519 1HH2 ARG 66 1HH2 ARG 66 11.125 19.326 0.796 520 2HH2 ARG 66 2HH2 ARG 66 12.202 20.559 0.219 521 HA PRO 67 HA PRO 67 4.728 16.791 3.267 522 1HB PRO 67 2HB PRO 67 6.310 15.867 5.558 523 2HB PRO 67 1HB PRO 67 5.804 14.985 4.117 524 1HG PRO 67 2HG PRO 67 8.367 15.702 4.542 525 2HG PRO 67 1HG PRO 67 7.659 15.610 2.919 526 1HD PRO 67 2HD PRO 67 8.218 18.009 4.611 527 2HD PRO 67 1HD PRO 67 8.396 17.796 2.857 528 H LYS 68 H LYS 68 2.893 17.103 4.373 529 HA LYS 68 HA LYS 68 3.016 18.607 6.897 530 1HB LYS 68 2HB LYS 68 0.675 17.894 5.124 531 2HB LYS 68 1HB LYS 68 0.543 18.780 6.637 532 1HG LYS 68 2HG LYS 68 2.033 20.522 5.661 533 2HG LYS 68 1HG LYS 68 1.938 19.657 4.124 534 1HD LYS 68 2HD LYS 68 -0.459 19.966 4.057 535 2HD LYS 68 1HD LYS 68 -0.434 20.724 5.651 536 1HE LYS 68 2HE LYS 68 0.929 21.781 3.178 537 2HE LYS 68 1HE LYS 68 -0.590 22.379 3.844 538 1HZ LYS 68 1HZ LYS 68 1.961 22.371 5.369 539 2HZ LYS 68 2HZ LYS 68 0.518 23.170 5.770 540 3HZ LYS 68 3HZ LYS 68 1.436 23.690 4.442 541 H TYR 69 H TYR 69 1.539 15.667 5.540 542 HA TYR 69 HA TYR 69 1.032 14.721 8.276 543 1HB TYR 69 2HB TYR 69 -0.018 13.743 5.613 544 2HB TYR 69 1HB TYR 69 -0.370 12.981 7.156 545 HD1 TYR 69 1HD TYR 69 -2.132 13.763 8.512 546 HD2 TYR 69 2HD TYR 69 -0.828 16.096 5.204 547 HE1 TYR 69 1HE TYR 69 -4.116 15.199 8.748 548 HE2 TYR 69 2HE TYR 69 -2.800 17.542 5.435 549 HH TYR 69 HH TYR 69 -5.102 17.355 6.345 550 H VAL 70 H VAL 70 2.327 13.623 5.160 551 HA VAL 70 HA VAL 70 3.233 11.126 6.237 552 HB VAL 70 HB VAL 70 2.495 11.495 3.864 553 1HG1 VAL 70 1HG1 VAL 70 4.153 12.348 2.257 554 2HG1 VAL 70 2HG1 VAL 70 5.195 12.808 3.604 555 3HG1 VAL 70 3HG1 VAL 70 3.623 13.579 3.404 556 1HG2 VAL 70 1HG2 VAL 70 5.226 10.272 4.218 557 2HG2 VAL 70 2HG2 VAL 70 4.127 9.975 2.872 558 3HG2 VAL 70 3HG2 VAL 70 3.683 9.471 4.502 559 H HIS 71 H HIS 71 5.506 10.386 6.057 560 HA HIS 71 HA HIS 71 7.506 12.521 6.351 561 1HB HIS 71 2HB HIS 71 6.641 11.453 8.580 562 2HB HIS 71 1HB HIS 71 7.596 10.061 8.087 563 HD1 HIS 71 1HD HIS 71 7.920 13.625 9.213 564 HD2 HIS 71 2HD HIS 71 10.354 10.353 8.375 565 HE1 HIS 71 1HE HIS 71 10.204 14.230 10.088 566 HE2 HIS 71 2HE HIS 71 11.697 12.316 9.401 567 H LYS 72 H LYS 72 9.586 11.931 5.542 568 HA LYS 72 HA LYS 72 9.550 10.258 3.323 569 1HB LYS 72 2HB LYS 72 12.005 10.442 3.285 570 2HB LYS 72 1HB LYS 72 11.224 11.994 3.553 571 1HG LYS 72 2HG LYS 72 11.902 12.091 5.776 572 2HG LYS 72 1HG LYS 72 12.229 10.358 5.854 573 1HD LYS 72 2HD LYS 72 13.797 12.364 4.224 574 2HD LYS 72 1HD LYS 72 14.296 11.701 5.783 575 1HE LYS 72 2HE LYS 72 14.172 9.423 4.757 576 2HE LYS 72 1HE LYS 72 13.899 10.200 3.200 577 1HZ LYS 72 1HZ LYS 72 16.217 9.609 3.524 578 2HZ LYS 72 2HZ LYS 72 16.297 10.567 4.917 579 3HZ LYS 72 3HZ LYS 72 16.042 11.293 3.401 580 H GLU 73 H GLU 73 10.705 9.544 6.582 581 HA GLU 73 HA GLU 73 11.793 7.027 6.150 582 1HB GLU 73 2HB GLU 73 12.072 8.261 8.225 583 2HB GLU 73 1HB GLU 73 10.355 8.123 8.571 584 1HG GLU 73 2HG GLU 73 10.569 5.728 8.824 585 2HG GLU 73 1HG GLU 73 12.277 5.816 8.393 586 H GLN 74 H GLN 74 8.467 7.978 6.829 587 HA GLN 74 HA GLN 74 7.429 5.373 7.085 588 1HB GLN 74 2HB GLN 74 6.189 8.050 6.515 589 2HB GLN 74 1HB GLN 74 5.220 6.587 6.554 590 1HG GLN 74 2HG GLN 74 6.929 7.591 8.823 591 2HG GLN 74 1HG GLN 74 5.189 7.830 8.677 592 1HE2 GLN 74 1HE2 GLN 74 4.770 6.746 10.586 593 2HE2 GLN 74 2HE2 GLN 74 4.904 5.025 10.718 594 H ILE 75 H ILE 75 7.855 7.516 4.329 595 HA ILE 75 HA ILE 75 6.362 6.034 2.459 596 HB ILE 75 HB ILE 75 8.812 7.732 1.931 597 1HG1 ILE 75 2HG1 ILE 75 5.889 8.498 1.872 598 2HG1 ILE 75 1HG1 ILE 75 7.007 8.916 3.162 599 1HG2 ILE 75 1HG2 ILE 75 6.582 6.875 0.093 600 2HG2 ILE 75 2HG2 ILE 75 8.246 6.291 0.056 601 3HG2 ILE 75 3HG2 ILE 75 7.895 7.978 -0.321 602 1HD1 ILE 75 1HD1 ILE 75 7.229 9.799 0.295 603 2HD1 ILE 75 2HD1 ILE 75 8.328 10.235 1.604 604 3HD1 ILE 75 3HD1 ILE 75 6.651 10.775 1.644 605 H GLU 76 H GLU 76 9.765 5.904 3.397 606 HA GLU 76 HA GLU 76 10.550 3.923 1.538 607 1HB GLU 76 2HB GLU 76 11.761 4.575 4.234 608 2HB GLU 76 1HB GLU 76 12.538 3.653 2.955 609 1HG GLU 76 2HG GLU 76 12.510 5.617 1.512 610 2HG GLU 76 1HG GLU 76 11.720 6.547 2.785 611 H ALA 77 H ALA 77 9.309 3.792 4.824 612 HA ALA 77 HA ALA 77 9.733 0.998 5.182 613 1HB ALA 77 1HB ALA 77 9.605 2.499 7.079 614 2HB ALA 77 2HB ALA 77 8.349 1.265 7.189 615 3HB ALA 77 3HB ALA 77 7.938 2.901 6.674 616 H VAL 78 H VAL 78 6.882 2.956 4.334 617 HA VAL 78 HA VAL 78 4.989 0.910 4.471 618 HB VAL 78 HB VAL 78 5.038 3.483 2.910 619 1HG1 VAL 78 1HG1 VAL 78 2.774 1.492 3.041 620 2HG1 VAL 78 2HG1 VAL 78 3.685 1.942 1.599 621 3HG1 VAL 78 3HG1 VAL 78 2.657 3.132 2.400 622 1HG2 VAL 78 1HG2 VAL 78 4.814 3.627 5.332 623 2HG2 VAL 78 2HG2 VAL 78 3.439 2.523 5.280 624 3HG2 VAL 78 3HG2 VAL 78 3.318 4.117 4.536 625 H LYS 79 H LYS 79 7.013 1.915 1.734 626 HA LYS 79 HA LYS 79 5.838 0.429 -0.281 627 1HB LYS 79 2HB LYS 79 7.655 1.999 -0.715 628 2HB LYS 79 1HB LYS 79 8.785 0.961 0.145 629 1HG LYS 79 2HG LYS 79 8.349 -0.813 -1.537 630 2HG LYS 79 1HG LYS 79 7.363 0.343 -2.434 631 1HD LYS 79 2HD LYS 79 9.275 1.783 -2.760 632 2HD LYS 79 1HD LYS 79 10.275 0.736 -1.747 633 1HE LYS 79 2HE LYS 79 9.845 -1.112 -3.372 634 2HE LYS 79 1HE LYS 79 9.042 0.061 -4.413 635 1HZ LYS 79 1HZ LYS 79 11.077 1.266 -4.651 636 2HZ LYS 79 2HZ LYS 79 11.391 -0.366 -4.993 637 3HZ LYS 79 3HZ LYS 79 11.857 0.291 -3.502 638 H ASP 80 H ASP 80 8.376 -0.612 1.975 639 HA ASP 80 HA ASP 80 8.517 -3.241 0.852 640 1HB ASP 80 2HB ASP 80 10.442 -2.126 1.972 641 2HB ASP 80 1HB ASP 80 9.593 -2.276 3.508 642 H ASN 81 H ASN 81 7.060 -1.826 3.745 643 HA ASN 81 HA ASN 81 6.171 -4.235 4.899 644 1HB ASN 81 2HB ASN 81 5.359 -1.366 5.207 645 2HB ASN 81 1HB ASN 81 4.404 -2.633 5.971 646 1HD2 ASN 81 1HD2 ASN 81 7.498 -1.037 5.878 647 2HD2 ASN 81 2HD2 ASN 81 8.075 -1.638 7.395 648 H PHE 82 H PHE 82 4.759 -2.128 2.478 649 HA PHE 82 HA PHE 82 2.202 -3.316 2.397 650 1HB PHE 82 2HB PHE 82 2.726 -1.135 1.356 651 2HB PHE 82 1HB PHE 82 3.730 -1.955 0.167 652 HD1 PHE 82 1HD PHE 82 0.242 -1.993 1.485 653 HD2 PHE 82 2HD PHE 82 2.813 -2.505 -1.869 654 HE1 PHE 82 1HE PHE 82 -1.719 -2.291 0.030 655 HE2 PHE 82 2HE PHE 82 0.854 -2.806 -3.326 656 HZ PHE 82 HZ PHE 82 -1.413 -2.699 -2.377 657 H LEU 83 H LEU 83 5.177 -3.950 0.573 658 HA LEU 83 HA LEU 83 4.138 -5.979 -1.072 659 1HB LEU 83 2HB LEU 83 6.953 -5.507 -0.102 660 2HB LEU 83 1HB LEU 83 6.523 -6.654 -1.356 661 HG LEU 83 HG LEU 83 6.134 -3.662 -1.497 662 1HD1 LEU 83 1HD1 LEU 83 7.856 -3.796 -3.259 663 2HD1 LEU 83 2HD1 LEU 83 8.105 -5.492 -2.849 664 3HD1 LEU 83 3HD1 LEU 83 8.465 -4.236 -1.664 665 1HD2 LEU 83 1HD2 LEU 83 5.460 -4.029 -3.789 666 2HD2 LEU 83 2HD2 LEU 83 4.402 -4.934 -2.705 667 3HD2 LEU 83 3HD2 LEU 83 5.672 -5.770 -3.602 668 H GLU 84 H GLU 84 5.843 -6.133 2.039 669 HA GLU 84 HA GLU 84 5.759 -8.932 2.318 670 1HB GLU 84 2HB GLU 84 7.216 -7.523 3.689 671 2HB GLU 84 1HB GLU 84 5.814 -6.785 4.448 672 1HG GLU 84 2HG GLU 84 5.218 -8.863 5.493 673 2HG GLU 84 1HG GLU 84 6.502 -9.709 4.630 674 H LEU 85 H LEU 85 3.490 -6.385 3.196 675 HA LEU 85 HA LEU 85 1.650 -7.893 4.652 676 1HB LEU 85 2HB LEU 85 1.739 -5.373 4.345 677 2HB LEU 85 1HB LEU 85 0.969 -5.615 2.792 678 HG LEU 85 HG LEU 85 -0.325 -6.586 5.332 679 1HD1 LEU 85 1HD1 LEU 85 -1.562 -4.466 5.383 680 2HD1 LEU 85 2HD1 LEU 85 -0.536 -3.844 4.092 681 3HD1 LEU 85 3HD1 LEU 85 0.163 -4.231 5.664 682 1HD2 LEU 85 1HD2 LEU 85 -2.370 -6.322 4.022 683 2HD2 LEU 85 2HD2 LEU 85 -1.235 -7.403 3.213 684 3HD2 LEU 85 3HD2 LEU 85 -1.425 -5.741 2.650 685 H VAL 86 H VAL 86 1.629 -7.103 1.168 686 HA VAL 86 HA VAL 86 -0.631 -8.616 0.508 687 HB VAL 86 HB VAL 86 1.759 -7.996 -1.242 688 1HG1 VAL 86 1HG1 VAL 86 0.216 -8.284 -3.123 689 2HG1 VAL 86 2HG1 VAL 86 -1.053 -8.778 -2.003 690 3HG1 VAL 86 3HG1 VAL 86 0.391 -9.773 -2.192 691 1HG2 VAL 86 1HG2 VAL 86 0.422 -6.098 -2.033 692 2HG2 VAL 86 2HG2 VAL 86 0.771 -5.981 -0.309 693 3HG2 VAL 86 3HG2 VAL 86 -0.826 -6.493 -0.851 694 H LEU 87 H LEU 87 2.770 -9.517 0.678 695 HA LEU 87 HA LEU 87 2.633 -12.022 -0.531 696 1HB LEU 87 2HB LEU 87 4.720 -10.856 -0.035 697 2HB LEU 87 1HB LEU 87 4.453 -11.086 1.682 698 HG LEU 87 HG LEU 87 4.610 -13.546 1.333 699 1HD1 LEU 87 1HD1 LEU 87 3.969 -13.604 -1.024 700 2HD1 LEU 87 2HD1 LEU 87 5.523 -14.393 -0.757 701 3HD1 LEU 87 3HD1 LEU 87 5.466 -12.774 -1.452 702 1HD2 LEU 87 1HD2 LEU 87 7.036 -13.587 1.040 703 2HD2 LEU 87 2HD2 LEU 87 6.538 -12.257 2.086 704 3HD2 LEU 87 3HD2 LEU 87 6.991 -11.939 0.411 705 H GLN 88 H GLN 88 2.532 -11.303 2.993 706 HA GLN 88 HA GLN 88 2.025 -14.093 3.491 707 1HB GLN 88 2HB GLN 88 1.902 -13.358 5.916 708 2HB GLN 88 1HB GLN 88 3.435 -13.155 5.090 709 1HG GLN 88 2HG GLN 88 3.150 -11.224 6.369 710 2HG GLN 88 1HG GLN 88 2.760 -10.745 4.722 711 1HE2 GLN 88 1HE2 GLN 88 1.598 -8.981 5.493 712 2HE2 GLN 88 2HE2 GLN 88 0.025 -9.158 6.182 713 H SER 89 H SER 89 0.011 -11.529 2.716 714 HA SER 89 HA SER 89 -2.267 -12.214 4.261 715 1HB SER 89 2HB SER 89 -2.044 -10.825 1.582 716 2HB SER 89 1HB SER 89 -3.551 -10.994 2.481 717 HG SER 89 HG SER 89 -1.198 -9.626 3.295 718 H TYR 90 H TYR 90 -0.832 -13.567 1.400 719 HA TYR 90 HA TYR 90 -3.157 -15.126 0.711 720 1HB TYR 90 2HB TYR 90 -0.297 -15.214 -0.256 721 2HB TYR 90 1HB TYR 90 -1.551 -16.296 -0.848 722 HD1 TYR 90 1HD TYR 90 0.171 -13.384 -1.570 723 HD2 TYR 90 2HD TYR 90 -3.782 -14.954 -1.587 724 HE1 TYR 90 1HE TYR 90 -0.481 -11.712 -3.254 725 HE2 TYR 90 2HE TYR 90 -4.443 -13.289 -3.269 726 HH TYR 90 HH TYR 90 -3.705 -11.063 -4.049 727 H VAL 91 H VAL 91 0.074 -15.883 2.009 728 HA VAL 91 HA VAL 91 -0.596 -18.638 2.381 729 HB VAL 91 HB VAL 91 1.629 -18.787 3.513 730 1HG1 VAL 91 1HG1 VAL 91 1.541 -17.451 0.810 731 2HG1 VAL 91 2HG1 VAL 91 1.424 -19.182 1.131 732 3HG1 VAL 91 3HG1 VAL 91 2.927 -18.321 1.467 733 1HG2 VAL 91 1HG2 VAL 91 3.114 -16.853 3.425 734 2HG2 VAL 91 2HG2 VAL 91 1.702 -16.514 4.426 735 3HG2 VAL 91 3HG2 VAL 91 1.801 -15.861 2.791 736 H HIS 92 H HIS 92 -1.052 -15.847 4.277 737 HA HIS 92 HA HIS 92 -1.964 -15.492 6.331 738 1HB HIS 92 2HB HIS 92 -2.503 -18.474 6.344 739 2HB HIS 92 1HB HIS 92 -3.218 -17.294 7.435 740 HD1 HIS 92 1HD HIS 92 -5.044 -19.056 5.773 741 HD2 HIS 92 2HD HIS 92 -3.712 -15.321 4.521 742 HE1 HIS 92 1HE HIS 92 -6.678 -18.307 4.020 743 HE2 HIS 92 2HE HIS 92 -5.737 -16.146 3.142 744 H HIS 93 H HIS 93 0.860 -16.208 5.976 745 HA HIS 93 HA HIS 93 1.569 -17.880 8.232 746 1HB HIS 93 2HB HIS 93 2.718 -17.831 5.925 747 2HB HIS 93 1HB HIS 93 3.500 -16.361 6.488 748 HD1 HIS 93 1HD HIS 93 3.438 -20.069 7.012 749 HD2 HIS 93 2HD HIS 93 5.533 -16.744 8.394 750 HE1 HIS 93 1HE HIS 93 5.429 -20.983 8.254 751 HE2 HIS 93 2HE HIS 93 6.618 -18.959 9.177 752 H ILE 94 H ILE 94 0.296 -15.938 9.378 753 HA ILE 94 HA ILE 94 2.318 -14.625 10.952 754 HB ILE 94 HB ILE 94 1.950 -13.027 9.045 755 1HG1 ILE 94 2HG1 ILE 94 1.015 -11.978 11.726 756 2HG1 ILE 94 1HG1 ILE 94 2.695 -12.316 11.321 757 1HG2 ILE 94 1HG2 ILE 94 -0.125 -11.784 8.906 758 2HG2 ILE 94 2HG2 ILE 94 -0.804 -12.722 10.237 759 3HG2 ILE 94 3HG2 ILE 94 -0.437 -13.508 8.701 760 1HD1 ILE 94 1HD1 ILE 94 2.601 -10.638 9.551 761 2HD1 ILE 94 2HD1 ILE 94 2.211 -9.953 11.128 762 3HD1 ILE 94 3HD1 ILE 94 0.923 -10.293 9.971 763 H HIS 95 H HIS 95 1.493 -13.949 12.991 764 HA HIS 95 HA HIS 95 -0.895 -15.452 13.683 765 1HB HIS 95 2HB HIS 95 1.289 -14.197 15.332 766 2HB HIS 95 1HB HIS 95 -0.161 -14.880 16.061 767 HD1 HIS 95 1HD HIS 95 -0.113 -17.322 16.548 768 HD2 HIS 95 2HD HIS 95 2.789 -16.206 13.776 769 HE1 HIS 95 1HE HIS 95 1.265 -19.388 16.128 770 HE2 HIS 95 2HE HIS 95 2.875 -18.741 14.299 771 H LYS 96 H LYS 96 -1.499 -13.161 12.226 772 HA LYS 96 HA LYS 96 -3.314 -11.822 12.176 773 1HB LYS 96 2HB LYS 96 -3.704 -12.848 14.981 774 2HB LYS 96 1HB LYS 96 -4.855 -11.800 14.158 775 1HG LYS 96 2HG LYS 96 -5.358 -13.428 12.551 776 2HG LYS 96 1HG LYS 96 -3.947 -14.398 12.969 777 1HD LYS 96 2HD LYS 96 -4.939 -14.920 15.136 778 2HD LYS 96 1HD LYS 96 -6.343 -13.923 14.742 779 1HE LYS 96 2HE LYS 96 -6.725 -16.350 14.396 780 2HE LYS 96 1HE LYS 96 -6.948 -15.385 12.938 781 1HZ LYS 96 1HZ LYS 96 -5.713 -17.398 12.468 782 2HZ LYS 96 2HZ LYS 96 -4.529 -16.981 13.608 783 3HZ LYS 96 3HZ LYS 96 -4.732 -16.045 12.216 784 H LYS 97 H LYS 97 -2.008 -11.306 15.485 785 HA LYS 97 HA LYS 97 -2.957 -8.699 15.671 786 1HB LYS 97 2HB LYS 97 -1.473 -8.414 17.578 787 2HB LYS 97 1HB LYS 97 -2.255 -9.985 17.622 788 1HG LYS 97 2HG LYS 97 -0.297 -11.124 17.193 789 2HG LYS 97 1HG LYS 97 0.474 -9.728 16.436 790 1HD LYS 97 2HD LYS 97 0.505 -8.623 18.673 791 2HD LYS 97 1HD LYS 97 -0.093 -10.129 19.371 792 1HE LYS 97 2HE LYS 97 1.880 -11.290 18.810 793 2HE LYS 97 1HE LYS 97 2.416 -10.013 17.719 794 1HZ LYS 97 1HZ LYS 97 2.101 -9.618 20.641 795 2HZ LYS 97 2HZ LYS 97 2.873 -8.595 19.536 796 3HZ LYS 97 3HZ LYS 97 3.564 -10.097 19.926 797 H ARG 98 H ARG 98 0.272 -9.784 14.636 798 HA ARG 98 HA ARG 98 1.305 -7.133 14.462 799 1HB ARG 98 2HB ARG 98 2.476 -9.551 14.609 800 2HB ARG 98 1HB ARG 98 2.578 -9.296 12.873 801 1HG ARG 98 2HG ARG 98 3.516 -7.202 14.801 802 2HG ARG 98 1HG ARG 98 4.550 -8.555 14.345 803 1HD ARG 98 2HD ARG 98 5.076 -7.573 12.421 804 2HD ARG 98 1HD ARG 98 3.376 -7.371 12.007 805 HE ARG 98 HE ARG 98 3.480 -5.281 13.379 806 1HH1 ARG 98 1HH1 ARG 98 6.407 -6.604 12.002 807 2HH1 ARG 98 2HH1 ARG 98 7.178 -5.057 11.832 808 1HH2 ARG 98 1HH2 ARG 98 4.471 -3.246 13.157 809 2HH2 ARG 98 2HH2 ARG 98 6.077 -3.143 12.469 810 H PHE 99 H PHE 99 -0.536 -9.147 12.374 811 HA PHE 99 HA PHE 99 0.088 -7.958 9.890 812 1HB PHE 99 2HB PHE 99 -1.090 -10.069 9.954 813 2HB PHE 99 1HB PHE 99 -2.414 -9.357 10.868 814 HD1 PHE 99 1HD PHE 99 -4.233 -8.379 9.776 815 HD2 PHE 99 2HD PHE 99 -0.705 -9.302 7.591 816 HE1 PHE 99 1HE PHE 99 -5.415 -7.899 7.673 817 HE2 PHE 99 2HE PHE 99 -1.874 -8.823 5.483 818 HZ PHE 99 HZ PHE 99 -4.234 -8.119 5.520 819 H LYS 100 H LYS 100 -2.381 -7.277 12.334 820 HA LYS 100 HA LYS 100 -3.598 -5.127 10.960 821 1HB LYS 100 2HB LYS 100 -3.502 -5.664 13.936 822 2HB LYS 100 1HB LYS 100 -4.629 -4.601 13.109 823 1HG LYS 100 2HG LYS 100 -5.500 -6.549 11.869 824 2HG LYS 100 1HG LYS 100 -4.437 -7.584 12.823 825 1HD LYS 100 2HD LYS 100 -6.663 -7.591 13.763 826 2HD LYS 100 1HD LYS 100 -5.549 -6.798 14.873 827 1HE LYS 100 2HE LYS 100 -6.327 -4.627 14.189 828 2HE LYS 100 1HE LYS 100 -7.318 -5.337 12.916 829 1HZ LYS 100 1HZ LYS 100 -7.722 -5.873 15.810 830 2HZ LYS 100 2HZ LYS 100 -8.743 -6.318 14.529 831 3HZ LYS 100 3HZ LYS 100 -8.560 -4.682 14.940 832 H ASP 101 H ASP 101 -1.007 -5.352 13.318 833 HA ASP 101 HA ASP 101 -0.507 -2.644 13.781 834 1HB ASP 101 2HB ASP 101 0.582 -4.492 15.015 835 2HB ASP 101 1HB ASP 101 1.513 -4.896 13.579 836 H ILE 102 H ILE 102 0.944 -4.766 11.315 837 HA ILE 102 HA ILE 102 2.379 -2.765 9.968 838 HB ILE 102 HB ILE 102 1.193 -5.317 8.854 839 1HG1 ILE 102 2HG1 ILE 102 3.997 -4.702 9.808 840 2HG1 ILE 102 1HG1 ILE 102 2.807 -5.651 10.692 841 1HG2 ILE 102 1HG2 ILE 102 1.659 -3.786 7.047 842 2HG2 ILE 102 2HG2 ILE 102 2.854 -5.081 7.052 843 3HG2 ILE 102 3HG2 ILE 102 3.280 -3.488 7.676 844 1HD1 ILE 102 1HD1 ILE 102 2.804 -7.300 8.877 845 2HD1 ILE 102 2HD1 ILE 102 4.399 -7.095 9.600 846 3HD1 ILE 102 3HD1 ILE 102 4.039 -6.360 8.038 847 H THR 103 H THR 103 -0.850 -4.100 9.313 848 HA THR 103 HA THR 103 -1.439 -2.617 7.036 849 HB THR 103 HB THR 103 -3.400 -3.554 9.139 850 HG1 THR 103 1HG THR 103 -2.159 -5.298 8.393 851 1HG2 THR 103 1HG2 THR 103 -4.381 -1.994 7.527 852 2HG2 THR 103 2HG2 THR 103 -4.998 -3.629 7.284 853 3HG2 THR 103 3HG2 THR 103 -3.770 -2.977 6.199 854 H GLU 104 H GLU 104 -2.003 -1.818 10.458 855 HA GLU 104 HA GLU 104 -3.406 0.579 10.005 856 1HB GLU 104 2HB GLU 104 -3.308 -0.731 12.148 857 2HB GLU 104 1HB GLU 104 -1.677 -0.125 12.382 858 1HG GLU 104 2HG GLU 104 -2.516 2.143 12.421 859 2HG GLU 104 1HG GLU 104 -4.158 1.553 12.181 860 H SER 105 H SER 105 0.012 -0.047 10.768 861 HA SER 105 HA SER 105 0.892 2.606 10.686 862 1HB SER 105 2HB SER 105 2.431 0.111 9.916 863 2HB SER 105 1HB SER 105 3.138 1.664 10.361 864 HG SER 105 HG SER 105 1.934 -0.281 11.958 865 H VAL 106 H VAL 106 0.457 0.275 8.078 866 HA VAL 106 HA VAL 106 1.591 1.920 6.043 867 HB VAL 106 HB VAL 106 -0.260 -0.464 5.880 868 1HG1 VAL 106 1HG1 VAL 106 1.153 0.987 3.646 869 2HG1 VAL 106 2HG1 VAL 106 -0.588 0.910 3.903 870 3HG1 VAL 106 3HG1 VAL 106 0.307 -0.553 3.489 871 1HG2 VAL 106 1HG2 VAL 106 1.948 -0.983 6.736 872 2HG2 VAL 106 2HG2 VAL 106 2.697 -0.146 5.375 873 3HG2 VAL 106 3HG2 VAL 106 1.770 -1.621 5.100 874 H LEU 107 H LEU 107 -1.777 1.160 6.944 875 HA LEU 107 HA LEU 107 -2.979 2.732 4.966 876 1HB LEU 107 2HB LEU 107 -3.919 1.579 7.548 877 2HB LEU 107 1HB LEU 107 -4.938 2.732 6.710 878 HG LEU 107 HG LEU 107 -3.940 0.123 5.552 879 1HD1 LEU 107 1HD1 LEU 107 -6.251 -0.603 5.735 880 2HD1 LEU 107 2HD1 LEU 107 -6.693 0.937 6.471 881 3HD1 LEU 107 3HD1 LEU 107 -5.615 -0.170 7.323 882 1HD2 LEU 107 1HD2 LEU 107 -5.487 0.615 3.718 883 2HD2 LEU 107 2HD2 LEU 107 -4.222 1.836 3.843 884 3HD2 LEU 107 3HD2 LEU 107 -5.843 2.181 4.442 885 H TYR 108 H TYR 108 -1.998 3.581 8.273 886 HA TYR 108 HA TYR 108 -3.155 6.135 8.357 887 1HB TYR 108 2HB TYR 108 -2.102 5.058 10.329 888 2HB TYR 108 1HB TYR 108 -0.520 5.287 9.591 889 HD1 TYR 108 1HD TYR 108 0.572 7.428 9.646 890 HD2 TYR 108 2HD TYR 108 -3.398 7.010 11.116 891 HE1 TYR 108 1HE TYR 108 0.718 9.664 10.657 892 HE2 TYR 108 2HE TYR 108 -3.262 9.244 12.135 893 HH TYR 108 HH TYR 108 -1.391 10.790 12.967 894 H THR 109 H THR 109 0.060 5.134 7.247 895 HA THR 109 HA THR 109 0.928 7.697 6.465 896 HB THR 109 HB THR 109 1.819 5.044 5.320 897 HG1 THR 109 1HG THR 109 2.331 4.772 7.391 898 1HG2 THR 109 1HG2 THR 109 3.945 6.222 4.931 899 2HG2 THR 109 2HG2 THR 109 3.218 7.718 5.524 900 3HG2 THR 109 3HG2 THR 109 2.617 6.968 4.044 901 H LEU 110 H LEU 110 -0.733 5.109 4.715 902 HA LEU 110 HA LEU 110 -0.707 6.298 2.171 903 1HB LEU 110 2HB LEU 110 -2.734 4.451 3.427 904 2HB LEU 110 1HB LEU 110 -2.711 4.877 1.727 905 HG LEU 110 HG LEU 110 -0.589 3.325 3.215 906 1HD1 LEU 110 1HD1 LEU 110 -2.524 2.524 1.042 907 2HD1 LEU 110 2HD1 LEU 110 -2.608 2.047 2.739 908 3HD1 LEU 110 3HD1 LEU 110 -1.265 1.500 1.733 909 1HD2 LEU 110 1HD2 LEU 110 0.424 4.774 1.542 910 2HD2 LEU 110 2HD2 LEU 110 -0.700 4.174 0.324 911 3HD2 LEU 110 3HD2 LEU 110 0.493 3.087 1.034 912 H HIS 111 H HIS 111 -3.032 6.546 4.834 913 HA HIS 111 HA HIS 111 -4.878 8.218 3.510 914 1HB HIS 111 2HB HIS 111 -4.279 7.666 6.400 915 2HB HIS 111 1HB HIS 111 -5.408 8.941 5.965 916 HD1 HIS 111 1HD HIS 111 -7.551 7.881 6.748 917 HD2 HIS 111 2HD HIS 111 -5.344 5.391 4.242 918 HE1 HIS 111 1HE HIS 111 -9.047 5.915 6.248 919 HE2 HIS 111 2HE HIS 111 -7.698 4.417 4.725 920 H ALA 112 H ALA 112 -1.949 8.868 5.314 921 HA ALA 112 HA ALA 112 -2.182 11.645 5.575 922 1HB ALA 112 1HB ALA 112 0.319 9.994 5.269 923 2HB ALA 112 2HB ALA 112 -0.533 10.300 6.783 924 3HB ALA 112 3HB ALA 112 0.232 11.630 5.911 925 H VAL 113 H VAL 113 -0.632 9.703 3.038 926 HA VAL 113 HA VAL 113 0.193 11.955 1.490 927 HB VAL 113 HB VAL 113 -0.178 9.102 0.549 928 1HG1 VAL 113 1HG1 VAL 113 0.088 10.718 -1.262 929 2HG1 VAL 113 2HG1 VAL 113 1.503 9.674 -1.131 930 3HG1 VAL 113 3HG1 VAL 113 1.566 11.324 -0.513 931 1HG2 VAL 113 1HG2 VAL 113 2.263 10.402 1.759 932 2HG2 VAL 113 2HG2 VAL 113 2.196 8.783 1.061 933 3HG2 VAL 113 3HG2 VAL 113 1.266 9.155 2.513 934 H LYS 114 H LYS 114 -2.522 9.762 1.461 935 HA LYS 114 HA LYS 114 -3.753 10.486 -0.925 936 1HB LYS 114 2HB LYS 114 -4.295 8.547 0.588 937 2HB LYS 114 1HB LYS 114 -5.124 9.673 1.644 938 1HG LYS 114 2HG LYS 114 -5.900 9.387 -1.237 939 2HG LYS 114 1HG LYS 114 -6.497 8.270 -0.012 940 1HD LYS 114 2HD LYS 114 -7.384 10.224 1.252 941 2HD LYS 114 1HD LYS 114 -6.894 11.260 -0.090 942 1HE LYS 114 2HE LYS 114 -8.876 8.990 -0.203 943 2HE LYS 114 1HE LYS 114 -9.251 10.712 -0.263 944 1HZ LYS 114 1HZ LYS 114 -7.742 9.146 -2.296 945 2HZ LYS 114 2HZ LYS 114 -7.945 10.830 -2.332 946 3HZ LYS 114 3HZ LYS 114 -9.291 9.821 -2.470 947 H ASP 115 H ASP 115 -3.929 11.955 2.286 948 HA ASP 115 HA ASP 115 -6.034 13.759 1.613 949 1HB ASP 115 2HB ASP 115 -5.511 13.039 3.950 950 2HB ASP 115 1HB ASP 115 -4.043 14.009 3.877 951 H GLU 116 H GLU 116 -2.516 14.179 2.007 952 HA GLU 116 HA GLU 116 -2.440 16.914 1.496 953 1HB GLU 116 2HB GLU 116 -0.335 14.788 1.068 954 2HB GLU 116 1HB GLU 116 -0.020 16.512 0.911 955 1HG GLU 116 2HG GLU 116 -0.751 16.808 3.258 956 2HG GLU 116 1HG GLU 116 -0.922 15.061 3.388 957 H ILE 117 H ILE 117 -2.103 14.201 -0.787 958 HA ILE 117 HA ILE 117 -1.578 15.824 -3.041 959 HB ILE 117 HB ILE 117 -2.789 13.057 -2.945 960 1HG1 ILE 117 2HG1 ILE 117 0.050 13.988 -3.423 961 2HG1 ILE 117 1HG1 ILE 117 -0.542 13.191 -1.968 962 1HG2 ILE 117 1HG2 ILE 117 -1.610 14.571 -5.276 963 2HG2 ILE 117 2HG2 ILE 117 -3.309 14.142 -5.056 964 3HG2 ILE 117 3HG2 ILE 117 -2.104 12.878 -5.292 965 1HD1 ILE 117 1HD1 ILE 117 0.686 11.662 -3.408 966 2HD1 ILE 117 2HD1 ILE 117 -0.452 11.975 -4.722 967 3HD1 ILE 117 3HD1 ILE 117 -1.002 11.177 -3.247 968 H ALA 118 H ALA 118 -4.611 14.424 -1.804 969 HA ALA 118 HA ALA 118 -6.230 15.458 -3.899 970 1HB ALA 118 1HB ALA 118 -6.945 13.564 -2.534 971 2HB ALA 118 2HB ALA 118 -8.122 14.877 -2.453 972 3HB ALA 118 3HB ALA 118 -7.010 14.604 -1.112 973 H ARG 119 H ARG 119 -5.049 16.728 -0.904 974 HA ARG 119 HA ARG 119 -6.854 18.900 -0.642 975 1HB ARG 119 2HB ARG 119 -5.574 17.999 1.234 976 2HB ARG 119 1HB ARG 119 -4.069 18.482 0.470 977 1HG ARG 119 2HG ARG 119 -4.533 20.781 0.813 978 2HG ARG 119 1HG ARG 119 -6.209 20.446 1.256 979 1HD ARG 119 2HD ARG 119 -3.728 19.719 2.817 980 2HD ARG 119 1HD ARG 119 -4.966 20.896 3.267 981 HE ARG 119 HE ARG 119 -5.162 17.981 3.416 982 1HH1 ARG 119 1HH1 ARG 119 -6.691 21.110 3.847 983 2HH1 ARG 119 2HH1 ARG 119 -8.092 20.454 4.641 984 1HH2 ARG 119 1HH2 ARG 119 -6.969 17.116 4.457 985 2HH2 ARG 119 2HH2 ARG 119 -8.265 18.166 4.980 986 H GLU 120 H GLU 120 -3.874 18.412 -2.378 987 HA GLU 120 HA GLU 120 -3.462 21.200 -2.933 988 1HB GLU 120 2HB GLU 120 -2.091 18.672 -3.638 989 2HB GLU 120 1HB GLU 120 -1.806 20.073 -4.663 990 1HG GLU 120 2HG GLU 120 -1.386 19.959 -1.685 991 2HG GLU 120 1HG GLU 120 -0.121 19.855 -2.910 992 H ASP 121 H ASP 121 -4.898 18.467 -4.644 993 HA ASP 121 HA ASP 121 -5.236 20.175 -6.998 994 1HB ASP 121 2HB ASP 121 -4.389 17.744 -7.139 995 2HB ASP 121 1HB ASP 121 -6.067 17.283 -6.855 996 H SER 122 H SER 122 -7.554 19.064 -8.078 997 HA SER 122 HA SER 122 -9.452 20.578 -6.451 998 1HB SER 122 2HB SER 122 -9.687 19.661 -9.325 999 2HB SER 122 1HB SER 122 -10.693 20.860 -8.511 1000 HG SER 122 HG SER 122 -8.434 21.888 -8.162 1001 H ARG 123 H ARG 123 -11.408 19.739 -5.784 1002 HA ARG 123 HA ARG 123 -11.659 16.833 -6.004 1003 1HB ARG 123 2HB ARG 123 -12.764 18.841 -4.062 1004 2HB ARG 123 1HB ARG 123 -13.497 17.252 -4.215 1005 1HG ARG 123 2HG ARG 123 -11.989 17.095 -2.421 1006 2HG ARG 123 1HG ARG 123 -11.208 16.282 -3.776 1007 1HD ARG 123 2HD ARG 123 -9.467 17.542 -2.986 1008 2HD ARG 123 1HD ARG 123 -10.150 18.652 -4.173 1009 HE ARG 123 HE ARG 123 -11.374 19.130 -1.686 1010 1HH1 ARG 123 1HH1 ARG 123 -8.274 19.532 -3.282 1011 2HH1 ARG 123 2HH1 ARG 123 -7.765 20.814 -2.229 1012 1HH2 ARG 123 1HH2 ARG 123 -10.688 20.813 -0.303 1013 2HH2 ARG 123 2HH2 ARG 123 -9.119 21.533 -0.526 Start of MODEL 8 1 1H MET 1 1HT MET 1 -12.009 15.033 -12.651 2 2H MET 1 2HT MET 1 -11.522 16.578 -12.149 3 3H MET 1 3HT MET 1 -13.123 16.085 -11.917 4 HA MET 1 HA MET 1 -11.831 16.025 -9.867 5 1HB MET 1 2HB MET 1 -12.833 13.422 -11.014 6 2HB MET 1 1HB MET 1 -12.296 13.568 -9.347 7 1HG MET 1 2HG MET 1 -14.539 15.112 -10.623 8 2HG MET 1 1HG MET 1 -14.709 13.749 -9.518 9 1HE MET 1 1HE MET 1 -16.289 15.141 -7.914 10 2HE MET 1 2HE MET 1 -16.184 16.479 -9.057 11 3HE MET 1 3HE MET 1 -15.902 16.762 -7.339 12 H LEU 2 H LEU 2 -10.140 15.082 -8.649 13 HA LEU 2 HA LEU 2 -7.920 14.171 -10.331 14 1HB LEU 2 2HB LEU 2 -7.991 15.453 -7.608 15 2HB LEU 2 1HB LEU 2 -6.549 14.681 -8.233 16 HG LEU 2 HG LEU 2 -6.302 17.006 -8.605 17 1HD1 LEU 2 1HD1 LEU 2 -6.166 17.174 -11.037 18 2HD1 LEU 2 2HD1 LEU 2 -7.160 15.726 -11.194 19 3HD1 LEU 2 3HD1 LEU 2 -5.562 15.622 -10.455 20 1HD2 LEU 2 1HD2 LEU 2 -9.030 16.978 -9.888 21 2HD2 LEU 2 2HD2 LEU 2 -7.935 18.360 -9.840 22 3HD2 LEU 2 3HD2 LEU 2 -8.605 17.713 -8.342 23 H SER 3 H SER 3 -8.287 12.032 -10.522 24 HA SER 3 HA SER 3 -7.905 10.465 -8.076 25 1HB SER 3 2HB SER 3 -10.339 10.469 -8.645 26 2HB SER 3 1HB SER 3 -9.943 9.761 -10.208 27 HG SER 3 HG SER 3 -9.033 7.976 -9.051 28 H GLN 4 H GLN 4 -6.880 11.264 -11.083 29 HA GLN 4 HA GLN 4 -5.756 8.600 -11.628 30 1HB GLN 4 2HB GLN 4 -6.016 10.970 -13.490 31 2HB GLN 4 1HB GLN 4 -5.433 9.370 -13.925 32 1HG GLN 4 2HG GLN 4 -7.620 8.422 -13.480 33 2HG GLN 4 1HG GLN 4 -8.217 9.998 -12.959 34 1HE2 GLN 4 1HE2 GLN 4 -7.302 8.021 -15.638 35 2HE2 GLN 4 2HE2 GLN 4 -7.907 9.056 -16.888 36 H THR 5 H THR 5 -3.641 9.202 -13.167 37 HA THR 5 HA THR 5 -1.470 9.828 -13.204 38 HB THR 5 HB THR 5 -2.175 12.216 -11.504 39 HG1 THR 5 1HG THR 5 -2.817 11.651 -14.209 40 1HG2 THR 5 1HG2 THR 5 -0.180 11.807 -13.737 41 2HG2 THR 5 2HG2 THR 5 0.199 11.868 -12.015 42 3HG2 THR 5 3HG2 THR 5 -0.426 13.300 -12.832 43 H LEU 6 H LEU 6 -1.868 11.432 -10.110 44 HA LEU 6 HA LEU 6 0.112 9.599 -8.993 45 1HB LEU 6 2HB LEU 6 0.514 12.049 -8.937 46 2HB LEU 6 1HB LEU 6 -0.905 12.235 -7.925 47 HG LEU 6 HG LEU 6 0.178 10.895 -6.164 48 1HD1 LEU 6 1HD1 LEU 6 2.559 10.923 -8.016 49 2HD1 LEU 6 2HD1 LEU 6 1.604 9.511 -7.568 50 3HD1 LEU 6 3HD1 LEU 6 2.559 10.352 -6.347 51 1HD2 LEU 6 1HD2 LEU 6 1.855 13.209 -7.136 52 2HD2 LEU 6 2HD2 LEU 6 1.818 12.565 -5.493 53 3HD2 LEU 6 3HD2 LEU 6 0.383 13.337 -6.171 54 H LEU 7 H LEU 7 -3.198 10.630 -8.607 55 HA LEU 7 HA LEU 7 -3.590 9.577 -6.004 56 1HB LEU 7 2HB LEU 7 -5.439 10.383 -8.209 57 2HB LEU 7 1HB LEU 7 -6.066 9.500 -6.833 58 HG LEU 7 HG LEU 7 -6.476 11.748 -6.385 59 1HD1 LEU 7 1HD1 LEU 7 -3.972 10.991 -4.909 60 2HD1 LEU 7 2HD1 LEU 7 -5.625 10.556 -4.471 61 3HD1 LEU 7 3HD1 LEU 7 -5.113 12.243 -4.419 62 1HD2 LEU 7 1HD2 LEU 7 -3.609 12.351 -7.083 63 2HD2 LEU 7 2HD2 LEU 7 -4.800 13.517 -6.506 64 3HD2 LEU 7 3HD2 LEU 7 -5.019 12.733 -8.070 65 H GLU 8 H GLU 8 -4.227 8.288 -9.233 66 HA GLU 8 HA GLU 8 -5.729 6.086 -8.630 67 1HB GLU 8 2HB GLU 8 -5.305 6.840 -10.901 68 2HB GLU 8 1HB GLU 8 -3.613 6.379 -10.772 69 1HG GLU 8 2HG GLU 8 -4.285 4.043 -10.522 70 2HG GLU 8 1HG GLU 8 -5.972 4.519 -10.699 71 H MET 9 H MET 9 -2.177 6.279 -8.595 72 HA MET 9 HA MET 9 -1.727 3.545 -8.078 73 1HB MET 9 2HB MET 9 -0.023 5.933 -7.350 74 2HB MET 9 1HB MET 9 0.508 4.257 -7.291 75 1HG MET 9 2HG MET 9 0.110 4.067 -9.707 76 2HG MET 9 1HG MET 9 -0.336 5.771 -9.751 77 1HE MET 9 1HE MET 9 1.335 7.715 -9.002 78 2HE MET 9 2HE MET 9 3.049 7.464 -8.663 79 3HE MET 9 3HE MET 9 1.830 6.869 -7.538 80 H THR 10 H THR 10 -2.148 6.317 -5.927 81 HA THR 10 HA THR 10 -1.766 4.885 -3.502 82 HB THR 10 HB THR 10 -3.354 7.438 -3.870 83 HG1 THR 10 1HG THR 10 -1.449 8.070 -4.661 84 1HG2 THR 10 1HG2 THR 10 -1.774 6.347 -1.533 85 2HG2 THR 10 2HG2 THR 10 -3.532 6.395 -1.659 86 3HG2 THR 10 3HG2 THR 10 -2.616 7.899 -1.576 87 H GLU 11 H GLU 11 -4.674 5.983 -5.247 88 HA GLU 11 HA GLU 11 -6.664 4.939 -3.658 89 1HB GLU 11 2HB GLU 11 -6.570 4.944 -6.683 90 2HB GLU 11 1HB GLU 11 -8.022 4.826 -5.711 91 1HG GLU 11 2HG GLU 11 -6.164 7.183 -5.883 92 2HG GLU 11 1HG GLU 11 -7.774 7.054 -6.583 93 H GLN 12 H GLN 12 -4.831 3.320 -6.212 94 HA GLN 12 HA GLN 12 -6.062 0.813 -6.092 95 1HB GLN 12 2HB GLN 12 -4.574 1.490 -7.914 96 2HB GLN 12 1HB GLN 12 -3.212 1.518 -6.806 97 1HG GLN 12 2HG GLN 12 -3.196 -0.479 -8.171 98 2HG GLN 12 1HG GLN 12 -3.411 -0.877 -6.468 99 1HE2 GLN 12 1HE2 GLN 12 -4.322 -2.860 -6.941 100 2HE2 GLN 12 2HE2 GLN 12 -5.920 -3.016 -7.579 101 H MET 13 H MET 13 -3.160 2.014 -4.424 102 HA MET 13 HA MET 13 -2.559 -0.365 -3.062 103 1HB MET 13 2HB MET 13 -1.920 2.509 -2.426 104 2HB MET 13 1HB MET 13 -1.320 1.167 -1.464 105 1HG MET 13 2HG MET 13 -0.234 0.251 -3.463 106 2HG MET 13 1HG MET 13 -0.789 1.648 -4.382 107 1HE MET 13 1HE MET 13 1.704 2.079 -5.151 108 2HE MET 13 2HE MET 13 2.257 0.702 -4.200 109 3HE MET 13 3HE MET 13 3.059 2.264 -4.039 110 H ILE 14 H ILE 14 -4.642 2.347 -2.196 111 HA ILE 14 HA ILE 14 -5.167 1.578 0.459 112 HB ILE 14 HB ILE 14 -6.930 3.084 -1.482 113 1HG1 ILE 14 2HG1 ILE 14 -5.134 4.071 0.746 114 2HG1 ILE 14 1HG1 ILE 14 -4.747 4.139 -0.971 115 1HG2 ILE 14 1HG2 ILE 14 -8.160 3.875 0.481 116 2HG2 ILE 14 2HG2 ILE 14 -7.195 2.815 1.509 117 3HG2 ILE 14 3HG2 ILE 14 -8.278 2.124 0.302 118 1HD1 ILE 14 1HD1 ILE 14 -7.048 5.549 0.364 119 2HD1 ILE 14 2HD1 ILE 14 -6.615 5.644 -1.345 120 3HD1 ILE 14 3HD1 ILE 14 -5.520 6.288 -0.119 121 H GLU 15 H GLU 15 -6.910 0.864 -2.546 122 HA GLU 15 HA GLU 15 -8.966 -0.679 -1.416 123 1HB GLU 15 2HB GLU 15 -8.797 0.276 -3.778 124 2HB GLU 15 1HB GLU 15 -7.809 -1.127 -4.161 125 1HG GLU 15 2HG GLU 15 -10.038 -1.580 -4.831 126 2HG GLU 15 1HG GLU 15 -9.687 -2.574 -3.424 127 H VAL 16 H VAL 16 -5.825 -1.649 -2.786 128 HA VAL 16 HA VAL 16 -6.129 -4.423 -2.429 129 HB VAL 16 HB VAL 16 -3.579 -2.791 -2.426 130 1HG1 VAL 16 1HG1 VAL 16 -3.229 -4.988 -1.425 131 2HG1 VAL 16 2HG1 VAL 16 -2.459 -4.893 -3.009 132 3HG1 VAL 16 3HG1 VAL 16 -3.987 -5.755 -2.821 133 1HG2 VAL 16 1HG2 VAL 16 -3.419 -3.534 -4.782 134 2HG2 VAL 16 2HG2 VAL 16 -4.817 -2.501 -4.480 135 3HG2 VAL 16 3HG2 VAL 16 -5.027 -4.245 -4.638 136 H ALA 17 H ALA 17 -4.630 -1.971 -0.336 137 HA ALA 17 HA ALA 17 -3.820 -3.708 1.710 138 1HB ALA 17 1HB ALA 17 -3.636 -1.724 3.094 139 2HB ALA 17 2HB ALA 17 -4.610 -0.808 1.944 140 3HB ALA 17 3HB ALA 17 -3.015 -1.401 1.476 141 H GLU 18 H GLU 18 -6.827 -1.836 1.330 142 HA GLU 18 HA GLU 18 -8.041 -2.629 3.721 143 1HB GLU 18 2HB GLU 18 -8.997 -1.589 1.100 144 2HB GLU 18 1HB GLU 18 -10.177 -2.254 2.208 145 1HG GLU 18 2HG GLU 18 -9.226 -0.678 3.948 146 2HG GLU 18 1HG GLU 18 -8.370 0.100 2.615 147 H LYS 19 H LYS 19 -8.310 -4.015 0.450 148 HA LYS 19 HA LYS 19 -10.135 -6.044 1.230 149 1HB LYS 19 2HB LYS 19 -8.668 -5.326 -1.211 150 2HB LYS 19 1HB LYS 19 -9.005 -7.041 -1.045 151 1HG LYS 19 2HG LYS 19 -10.794 -6.171 -2.275 152 2HG LYS 19 1HG LYS 19 -11.420 -6.394 -0.647 153 1HD LYS 19 2HD LYS 19 -10.355 -3.749 -1.594 154 2HD LYS 19 1HD LYS 19 -12.025 -4.232 -1.876 155 1HE LYS 19 2HE LYS 19 -12.299 -4.535 0.569 156 2HE LYS 19 1HE LYS 19 -10.657 -3.931 0.797 157 1HZ LYS 19 1HZ LYS 19 -11.521 -1.909 -0.525 158 2HZ LYS 19 2HZ LYS 19 -11.938 -2.059 1.111 159 3HZ LYS 19 3HZ LYS 19 -13.060 -2.474 -0.085 160 H GLY 20 H GLY 20 -6.646 -5.866 1.149 161 1HA GLY 20 2HA GLY 20 -6.125 -8.632 1.462 162 2HA GLY 20 1HA GLY 20 -5.044 -7.323 1.922 163 H ALA 21 H ALA 21 -6.449 -6.010 3.844 164 HA ALA 21 HA ALA 21 -6.171 -7.679 6.120 165 1HB ALA 21 1HB ALA 21 -7.052 -5.782 7.381 166 2HB ALA 21 2HB ALA 21 -7.545 -5.004 5.879 167 3HB ALA 21 3HB ALA 21 -5.833 -5.257 6.220 168 H ASP 22 H ASP 22 -8.928 -6.541 4.262 169 HA ASP 22 HA ASP 22 -11.015 -7.565 5.816 170 1HB ASP 22 2HB ASP 22 -11.362 -6.025 3.942 171 2HB ASP 22 1HB ASP 22 -10.797 -7.246 2.809 172 H ARG 23 H ARG 23 -9.139 -9.033 3.209 173 HA ARG 23 HA ARG 23 -10.487 -11.515 3.167 174 1HB ARG 23 2HB ARG 23 -8.959 -10.518 1.393 175 2HB ARG 23 1HB ARG 23 -7.609 -11.024 2.390 176 1HG ARG 23 2HG ARG 23 -9.644 -13.041 1.580 177 2HG ARG 23 1HG ARG 23 -8.438 -12.503 0.411 178 1HD ARG 23 2HD ARG 23 -6.653 -13.162 1.915 179 2HD ARG 23 1HD ARG 23 -7.832 -13.630 3.142 180 HE ARG 23 HE ARG 23 -8.589 -15.166 1.108 181 1HH1 ARG 23 1HH1 ARG 23 -5.368 -14.501 2.329 182 2HH1 ARG 23 2HH1 ARG 23 -4.769 -16.085 1.947 183 1HH2 ARG 23 1HH2 ARG 23 -7.776 -17.234 0.589 184 2HH2 ARG 23 2HH2 ARG 23 -6.120 -17.628 0.951 185 H TYR 24 H TYR 24 -7.734 -10.296 4.977 186 HA TYR 24 HA TYR 24 -6.994 -12.761 6.178 187 1HB TYR 24 2HB TYR 24 -5.452 -10.869 6.090 188 2HB TYR 24 1HB TYR 24 -6.544 -9.906 7.077 189 HD1 TYR 24 1HD TYR 24 -6.538 -10.086 9.451 190 HD2 TYR 24 2HD TYR 24 -4.251 -12.799 7.107 191 HE1 TYR 24 1HE TYR 24 -5.384 -10.853 11.479 192 HE2 TYR 24 2HE TYR 24 -3.088 -13.575 9.131 193 HH TYR 24 HH TYR 24 -2.583 -12.778 11.387 194 H GLN 25 H GLN 25 -9.258 -10.211 7.024 195 HA GLN 25 HA GLN 25 -9.764 -11.012 9.684 196 1HB GLN 25 2HB GLN 25 -10.323 -8.781 8.762 197 2HB GLN 25 1HB GLN 25 -11.580 -9.518 7.782 198 1HG GLN 25 2HG GLN 25 -12.829 -10.130 9.730 199 2HG GLN 25 1HG GLN 25 -11.523 -9.600 10.789 200 1HE2 GLN 25 1HE2 GLN 25 -12.819 -8.146 11.874 201 2HE2 GLN 25 2HE2 GLN 25 -13.377 -6.675 11.154 202 H GLU 26 H GLU 26 -11.118 -11.989 6.609 203 HA GLU 26 HA GLU 26 -13.090 -13.714 7.847 204 1HB GLU 26 2HB GLU 26 -12.301 -13.128 5.006 205 2HB GLU 26 1HB GLU 26 -13.384 -14.456 5.394 206 1HG GLU 26 2HG GLU 26 -13.892 -11.617 6.233 207 2HG GLU 26 1HG GLU 26 -14.482 -12.305 4.721 208 H GLY 27 H GLY 27 -9.950 -13.999 6.269 209 1HA GLY 27 2HA GLY 27 -8.475 -15.769 6.148 210 2HA GLY 27 1HA GLY 27 -9.464 -16.600 7.346 211 H LYS 28 H LYS 28 -10.738 -15.374 4.367 212 HA LYS 28 HA LYS 28 -11.879 -17.969 3.818 213 1HB LYS 28 2HB LYS 28 -13.058 -15.690 3.696 214 2HB LYS 28 1HB LYS 28 -12.209 -15.465 2.176 215 1HG LYS 28 2HG LYS 28 -13.295 -17.471 1.279 216 2HG LYS 28 1HG LYS 28 -14.158 -17.675 2.807 217 1HD LYS 28 2HD LYS 28 -15.092 -15.368 2.469 218 2HD LYS 28 1HD LYS 28 -14.399 -15.394 0.849 219 1HE LYS 28 2HE LYS 28 -16.696 -16.027 0.678 220 2HE LYS 28 1HE LYS 28 -15.717 -17.465 0.399 221 1HZ LYS 28 1HZ LYS 28 -16.194 -18.266 2.562 222 2HZ LYS 28 2HZ LYS 28 -17.682 -17.769 1.898 223 3HZ LYS 28 3HZ LYS 28 -16.894 -16.794 3.038 224 H ASN 29 H ASN 29 -10.607 -19.389 2.800 225 HA ASN 29 HA ASN 29 -9.056 -18.461 0.485 226 1HB ASN 29 2HB ASN 29 -7.785 -20.590 0.690 227 2HB ASN 29 1HB ASN 29 -7.648 -19.574 2.117 228 1HD2 ASN 29 1HD2 ASN 29 -7.203 -22.427 1.827 229 2HD2 ASN 29 2HD2 ASN 29 -8.290 -23.208 2.929 230 H SER 30 H SER 30 -10.293 -18.586 -1.262 231 HA SER 30 HA SER 30 -12.191 -20.784 -1.527 232 1HB SER 30 2HB SER 30 -12.921 -18.421 -1.954 233 2HB SER 30 1HB SER 30 -11.831 -18.384 -3.340 234 HG SER 30 HG SER 30 -13.030 -20.095 -4.255 235 H ASN 31 H ASN 31 -11.429 -22.561 -2.372 236 HA ASN 31 HA ASN 31 -10.550 -24.041 -3.842 237 1HB ASN 31 2HB ASN 31 -10.143 -21.706 -5.723 238 2HB ASN 31 1HB ASN 31 -10.236 -23.413 -6.151 239 1HD2 ASN 31 1HD2 ASN 31 -12.249 -24.462 -6.081 240 2HD2 ASN 31 2HD2 ASN 31 -13.735 -23.564 -6.091 241 H HIS 32 H HIS 32 -8.431 -24.153 -5.459 242 HA HIS 32 HA HIS 32 -6.228 -23.232 -3.737 243 1HB HIS 32 2HB HIS 32 -6.365 -25.555 -5.677 244 2HB HIS 32 1HB HIS 32 -4.902 -25.055 -4.833 245 HD1 HIS 32 1HD HIS 32 -7.793 -27.232 -4.505 246 HD2 HIS 32 2HD HIS 32 -5.193 -25.268 -1.911 247 HE1 HIS 32 1HE HIS 32 -8.061 -28.371 -2.279 248 HE2 HIS 32 2HE HIS 32 -6.355 -27.288 -0.772 249 H SER 33 H SER 33 -7.135 -21.286 -5.247 250 HA SER 33 HA SER 33 -5.684 -21.207 -7.779 251 1HB SER 33 2HB SER 33 -7.473 -19.084 -6.574 252 2HB SER 33 1HB SER 33 -6.968 -19.231 -8.258 253 HG SER 33 HG SER 33 -9.156 -20.132 -7.305 254 H TYR 34 H TYR 34 -4.666 -20.918 -4.826 255 HA TYR 34 HA TYR 34 -3.273 -18.346 -5.148 256 1HB TYR 34 2HB TYR 34 -3.761 -19.966 -2.638 257 2HB TYR 34 1HB TYR 34 -2.919 -18.423 -2.708 258 HD1 TYR 34 1HD TYR 34 -6.119 -20.062 -2.517 259 HD2 TYR 34 2HD TYR 34 -4.203 -16.365 -3.376 260 HE1 TYR 34 1HE TYR 34 -8.255 -18.890 -2.195 261 HE2 TYR 34 2HE TYR 34 -6.334 -15.180 -3.056 262 HH TYR 34 HH TYR 34 -8.744 -15.647 -3.117 263 H ASP 35 H ASP 35 -2.583 -20.994 -6.324 264 HA ASP 35 HA ASP 35 -0.330 -22.007 -4.884 265 1HB ASP 35 2HB ASP 35 -1.728 -22.668 -7.392 266 2HB ASP 35 1HB ASP 35 -0.009 -23.049 -7.370 267 H PHE 36 H PHE 36 0.377 -19.597 -4.880 268 HA PHE 36 HA PHE 36 2.058 -18.148 -5.249 269 1HB PHE 36 2HB PHE 36 3.247 -20.443 -5.002 270 2HB PHE 36 1HB PHE 36 3.568 -20.278 -6.723 271 HD1 PHE 36 1HD PHE 36 4.206 -18.868 -3.402 272 HD2 PHE 36 2HD PHE 36 5.181 -18.708 -7.538 273 HE1 PHE 36 1HE PHE 36 6.158 -17.471 -2.878 274 HE2 PHE 36 2HE PHE 36 7.138 -17.308 -7.022 275 HZ PHE 36 HZ PHE 36 7.628 -16.687 -4.691 276 H PHE 37 H PHE 37 2.649 -19.992 -8.225 277 HA PHE 37 HA PHE 37 3.134 -17.576 -9.646 278 1HB PHE 37 2HB PHE 37 2.854 -20.384 -10.724 279 2HB PHE 37 1HB PHE 37 3.583 -19.018 -11.559 280 HD1 PHE 37 1HD PHE 37 4.104 -21.723 -9.271 281 HD2 PHE 37 2HD PHE 37 5.689 -18.010 -10.616 282 HE1 PHE 37 1HE PHE 37 6.294 -22.318 -8.321 283 HE2 PHE 37 2HE PHE 37 7.881 -18.598 -9.668 284 HZ PHE 37 HZ PHE 37 8.185 -20.758 -8.520 285 H GLU 38 H GLU 38 0.245 -18.969 -8.851 286 HA GLU 38 HA GLU 38 -1.138 -18.632 -11.342 287 1HB GLU 38 2HB GLU 38 -2.197 -18.972 -8.532 288 2HB GLU 38 1HB GLU 38 -3.189 -18.982 -9.984 289 1HG GLU 38 2HG GLU 38 -1.054 -20.960 -9.233 290 2HG GLU 38 1HG GLU 38 -2.795 -21.230 -9.285 291 H THR 39 H THR 39 -2.148 -17.127 -8.321 292 HA THR 39 HA THR 39 -2.784 -14.697 -9.799 293 HB THR 39 HB THR 39 -3.894 -14.139 -7.515 294 HG1 THR 39 1HG THR 39 -4.281 -16.802 -7.038 295 1HG2 THR 39 1HG2 THR 39 -5.893 -15.437 -8.131 296 2HG2 THR 39 2HG2 THR 39 -4.917 -16.393 -9.247 297 3HG2 THR 39 3HG2 THR 39 -5.155 -14.669 -9.536 298 H ILE 40 H ILE 40 -0.593 -15.900 -7.410 299 HA ILE 40 HA ILE 40 0.103 -13.284 -6.377 300 HB ILE 40 HB ILE 40 1.561 -15.866 -5.814 301 1HG1 ILE 40 2HG1 ILE 40 -0.886 -14.797 -4.383 302 2HG1 ILE 40 1HG1 ILE 40 -0.872 -16.194 -5.455 303 1HG2 ILE 40 1HG2 ILE 40 2.632 -13.815 -5.041 304 2HG2 ILE 40 2HG2 ILE 40 2.069 -14.783 -3.678 305 3HG2 ILE 40 3HG2 ILE 40 1.159 -13.359 -4.183 306 1HD1 ILE 40 1HD1 ILE 40 0.618 -15.946 -2.851 307 2HD1 ILE 40 2HD1 ILE 40 0.645 -17.345 -3.925 308 3HD1 ILE 40 3HD1 ILE 40 -0.857 -16.872 -3.130 309 H LYS 41 H LYS 41 0.497 -13.149 -8.984 310 HA LYS 41 HA LYS 41 3.385 -12.861 -9.144 311 1HB LYS 41 2HB LYS 41 3.065 -15.009 -10.202 312 2HB LYS 41 1HB LYS 41 1.787 -14.367 -11.222 313 1HG LYS 41 2HG LYS 41 3.436 -12.890 -12.308 314 2HG LYS 41 1HG LYS 41 4.706 -13.629 -11.327 315 1HD LYS 41 2HD LYS 41 4.263 -15.790 -12.325 316 2HD LYS 41 1HD LYS 41 2.903 -15.124 -13.230 317 1HE LYS 41 2HE LYS 41 4.422 -13.660 -14.453 318 2HE LYS 41 1HE LYS 41 5.787 -14.293 -13.532 319 1HZ LYS 41 1HZ LYS 41 5.585 -15.329 -15.727 320 2HZ LYS 41 2HZ LYS 41 4.039 -15.908 -15.316 321 3HZ LYS 41 3HZ LYS 41 5.402 -16.467 -14.479 322 HA PRO 42 HA PRO 42 1.555 -10.127 -12.684 323 1HB PRO 42 2HB PRO 42 -1.192 -9.923 -12.792 324 2HB PRO 42 1HB PRO 42 -0.226 -10.981 -13.825 325 1HG PRO 42 2HG PRO 42 -1.736 -11.630 -11.330 326 2HG PRO 42 1HG PRO 42 -1.596 -12.566 -12.830 327 1HD PRO 42 2HD PRO 42 -0.183 -13.205 -10.640 328 2HD PRO 42 1HD PRO 42 0.502 -13.384 -12.268 329 H ALA 43 H ALA 43 -0.741 -10.334 -9.964 330 HA ALA 43 HA ALA 43 -1.082 -7.555 -9.653 331 1HB ALA 43 1HB ALA 43 -2.649 -9.190 -8.737 332 2HB ALA 43 2HB ALA 43 -2.063 -8.098 -7.483 333 3HB ALA 43 3HB ALA 43 -1.422 -9.738 -7.594 334 H VAL 44 H VAL 44 1.203 -9.841 -8.250 335 HA VAL 44 HA VAL 44 2.310 -8.105 -6.322 336 HB VAL 44 HB VAL 44 3.627 -10.441 -7.720 337 1HG1 VAL 44 1HG1 VAL 44 4.335 -9.045 -5.140 338 2HG1 VAL 44 2HG1 VAL 44 5.265 -9.011 -6.637 339 3HG1 VAL 44 3HG1 VAL 44 5.090 -10.521 -5.743 340 1HG2 VAL 44 1HG2 VAL 44 2.097 -10.321 -5.122 341 2HG2 VAL 44 2HG2 VAL 44 2.953 -11.731 -5.745 342 3HG2 VAL 44 3HG2 VAL 44 1.558 -11.091 -6.614 343 H GLU 45 H GLU 45 3.343 -8.938 -9.621 344 HA GLU 45 HA GLU 45 5.605 -7.299 -9.708 345 1HB GLU 45 2HB GLU 45 3.775 -8.271 -11.901 346 2HB GLU 45 1HB GLU 45 5.301 -7.454 -12.191 347 1HG GLU 45 2HG GLU 45 6.478 -9.226 -10.995 348 2HG GLU 45 1HG GLU 45 4.943 -10.046 -10.715 349 H GLU 46 H GLU 46 2.241 -6.629 -10.627 350 HA GLU 46 HA GLU 46 2.555 -4.060 -11.614 351 1HB GLU 46 2HB GLU 46 0.311 -5.543 -10.305 352 2HB GLU 46 1HB GLU 46 0.131 -3.852 -10.696 353 1HG GLU 46 2HG GLU 46 0.835 -6.000 -12.670 354 2HG GLU 46 1HG GLU 46 -0.779 -5.332 -12.425 355 H ASN 47 H ASN 47 1.795 -5.092 -8.284 356 HA ASN 47 HA ASN 47 1.741 -2.421 -7.290 357 1HB ASN 47 2HB ASN 47 1.777 -5.113 -5.949 358 2HB ASN 47 1HB ASN 47 1.881 -3.623 -5.015 359 1HD2 ASN 47 1HD2 ASN 47 -0.132 -5.635 -6.990 360 2HD2 ASN 47 2HD2 ASN 47 -1.629 -4.819 -6.659 361 H ASP 48 H ASP 48 4.260 -4.779 -7.723 362 HA ASP 48 HA ASP 48 6.198 -3.624 -6.015 363 1HB ASP 48 2HB ASP 48 6.458 -5.870 -6.996 364 2HB ASP 48 1HB ASP 48 6.598 -5.155 -8.598 365 H GLU 49 H GLU 49 5.638 -3.258 -9.511 366 HA GLU 49 HA GLU 49 7.518 -1.161 -9.856 367 1HB GLU 49 2HB GLU 49 5.114 -1.877 -11.547 368 2HB GLU 49 1HB GLU 49 6.431 -0.819 -12.040 369 1HG GLU 49 2HG GLU 49 7.991 -2.716 -11.788 370 2HG GLU 49 1HG GLU 49 6.617 -3.757 -11.422 371 H LEU 50 H LEU 50 4.107 -1.295 -9.107 372 HA LEU 50 HA LEU 50 3.410 1.395 -9.363 373 1HB LEU 50 2HB LEU 50 2.014 -0.752 -8.779 374 2HB LEU 50 1HB LEU 50 2.363 -0.303 -7.124 375 HG LEU 50 HG LEU 50 1.318 1.942 -7.619 376 1HD1 LEU 50 1HD1 LEU 50 1.500 1.878 -10.040 377 2HD1 LEU 50 2HD1 LEU 50 -0.186 2.050 -9.548 378 3HD1 LEU 50 3HD1 LEU 50 0.419 0.484 -10.098 379 1HD2 LEU 50 1HD2 LEU 50 -0.437 -0.492 -7.916 380 2HD2 LEU 50 2HD2 LEU 50 -0.953 1.108 -7.380 381 3HD2 LEU 50 3HD2 LEU 50 0.160 0.161 -6.391 382 H ALA 51 H ALA 51 4.633 -0.397 -6.547 383 HA ALA 51 HA ALA 51 4.702 1.765 -4.755 384 1HB ALA 51 1HB ALA 51 6.129 0.367 -3.384 385 2HB ALA 51 2HB ALA 51 6.433 -0.700 -4.752 386 3HB ALA 51 3HB ALA 51 4.813 -0.589 -4.066 387 H ALA 52 H ALA 52 6.990 0.670 -7.173 388 HA ALA 52 HA ALA 52 9.228 2.151 -6.286 389 1HB ALA 52 1HB ALA 52 8.542 1.273 -9.092 390 2HB ALA 52 2HB ALA 52 9.402 0.307 -7.891 391 3HB ALA 52 3HB ALA 52 10.131 1.786 -8.519 392 H ARG 53 H ARG 53 6.939 2.855 -8.943 393 HA ARG 53 HA ARG 53 7.861 5.463 -9.384 394 1HB ARG 53 2HB ARG 53 6.405 3.879 -10.831 395 2HB ARG 53 1HB ARG 53 5.055 4.556 -9.934 396 1HG ARG 53 2HG ARG 53 6.997 6.389 -11.238 397 2HG ARG 53 1HG ARG 53 5.779 5.560 -12.202 398 1HD ARG 53 2HD ARG 53 4.005 6.562 -11.018 399 2HD ARG 53 1HD ARG 53 5.079 7.109 -9.732 400 HE ARG 53 HE ARG 53 5.992 8.724 -11.316 401 1HH1 ARG 53 1HH1 ARG 53 2.972 7.191 -12.192 402 2HH1 ARG 53 2HH1 ARG 53 2.422 8.510 -13.178 403 1HH2 ARG 53 1HH2 ARG 53 5.271 10.484 -12.617 404 2HH2 ARG 53 2HH2 ARG 53 3.716 10.393 -13.399 405 H TRP 54 H TRP 54 5.374 4.145 -7.265 406 HA TRP 54 HA TRP 54 4.152 6.566 -6.519 407 1HB TRP 54 2HB TRP 54 3.241 4.294 -6.041 408 2HB TRP 54 1HB TRP 54 4.500 4.081 -4.830 409 HD1 TRP 54 HD TRP 54 1.351 6.195 -5.501 410 HE1 TRP 54 1HE TRP 54 0.423 7.004 -3.241 411 HE3 TRP 54 3HE TRP 54 5.086 4.497 -2.451 412 HZ2 TRP 54 2HZ TRP 54 1.185 6.931 -0.517 413 HZ3 TRP 54 3HZ TRP 54 4.912 4.905 -0.030 414 HH2 TRP 54 HH TRP 54 3.001 6.097 0.918 415 H ALA 55 H ALA 55 6.781 4.724 -4.982 416 HA ALA 55 HA ALA 55 7.289 6.524 -2.895 417 1HB ALA 55 1HB ALA 55 9.215 4.657 -4.272 418 2HB ALA 55 2HB ALA 55 8.165 4.248 -2.913 419 3HB ALA 55 3HB ALA 55 9.463 5.424 -2.706 420 H GLU 56 H GLU 56 8.637 6.321 -6.171 421 HA GLU 56 HA GLU 56 10.504 8.378 -5.960 422 1HB GLU 56 2HB GLU 56 9.199 6.853 -8.074 423 2HB GLU 56 1HB GLU 56 9.617 8.486 -8.558 424 1HG GLU 56 2HG GLU 56 11.536 6.528 -7.332 425 2HG GLU 56 1HG GLU 56 11.367 6.832 -9.058 426 H GLY 57 H GLY 57 7.079 8.467 -6.899 427 1HA GLY 57 2HA GLY 57 7.037 11.268 -7.421 428 2HA GLY 57 1HA GLY 57 5.636 10.238 -7.177 429 H ALA 58 H ALA 58 6.310 9.308 -4.583 430 HA ALA 58 HA ALA 58 5.262 11.414 -3.003 431 1HB ALA 58 1HB ALA 58 6.554 8.836 -2.117 432 2HB ALA 58 2HB ALA 58 4.849 9.050 -2.515 433 3HB ALA 58 3HB ALA 58 5.541 9.884 -1.124 434 H LEU 59 H LEU 59 8.496 9.947 -3.205 435 HA LEU 59 HA LEU 59 9.776 11.548 -1.312 436 1HB LEU 59 2HB LEU 59 10.712 10.065 -3.750 437 2HB LEU 59 1HB LEU 59 11.817 10.958 -2.741 438 HG LEU 59 HG LEU 59 10.107 8.644 -1.838 439 1HD1 LEU 59 1HD1 LEU 59 13.078 8.821 -2.311 440 2HD1 LEU 59 2HD1 LEU 59 11.917 7.963 -3.324 441 3HD1 LEU 59 3HD1 LEU 59 12.209 7.426 -1.669 442 1HD2 LEU 59 1HD2 LEU 59 10.477 10.239 -0.041 443 2HD2 LEU 59 2HD2 LEU 59 12.210 10.228 -0.366 444 3HD2 LEU 59 3HD2 LEU 59 11.416 8.771 0.233 445 H GLU 60 H GLU 60 9.154 12.015 -4.738 446 HA GLU 60 HA GLU 60 10.535 14.429 -5.108 447 1HB GLU 60 2HB GLU 60 9.587 13.111 -6.959 448 2HB GLU 60 1HB GLU 60 7.966 13.450 -6.382 449 1HG GLU 60 2HG GLU 60 8.420 14.851 -8.254 450 2HG GLU 60 1HG GLU 60 8.365 15.855 -6.806 451 H LEU 61 H LEU 61 7.159 13.807 -4.247 452 HA LEU 61 HA LEU 61 6.278 16.441 -4.150 453 1HB LEU 61 2HB LEU 61 4.838 14.424 -4.170 454 2HB LEU 61 1HB LEU 61 5.292 14.110 -2.507 455 HG LEU 61 HG LEU 61 4.251 16.283 -1.866 456 1HD1 LEU 61 1HD1 LEU 61 4.416 17.412 -4.019 457 2HD1 LEU 61 2HD1 LEU 61 2.747 17.369 -3.454 458 3HD1 LEU 61 3HD1 LEU 61 3.275 16.261 -4.720 459 1HD2 LEU 61 1HD2 LEU 61 1.946 15.484 -2.063 460 2HD2 LEU 61 2HD2 LEU 61 3.044 14.177 -1.622 461 3HD2 LEU 61 3HD2 LEU 61 2.455 14.312 -3.278 462 H ILE 62 H ILE 62 7.558 14.415 -1.521 463 HA ILE 62 HA ILE 62 6.933 16.297 0.507 464 HB ILE 62 HB ILE 62 8.317 14.914 2.004 465 1HG1 ILE 62 2HG1 ILE 62 8.910 13.296 -0.485 466 2HG1 ILE 62 1HG1 ILE 62 10.064 14.327 0.346 467 1HG2 ILE 62 1HG2 ILE 62 6.494 13.329 0.199 468 2HG2 ILE 62 2HG2 ILE 62 5.992 14.310 1.576 469 3HG2 ILE 62 3HG2 ILE 62 6.982 12.874 1.830 470 1HD1 ILE 62 1HD1 ILE 62 8.742 11.892 1.503 471 2HD1 ILE 62 2HD1 ILE 62 9.923 12.917 2.318 472 3HD1 ILE 62 3HD1 ILE 62 10.393 11.990 0.892 473 H LYS 63 H LYS 63 9.790 15.921 -1.529 474 HA LYS 63 HA LYS 63 11.299 17.659 0.230 475 1HB LYS 63 2HB LYS 63 13.163 17.390 -1.172 476 2HB LYS 63 1HB LYS 63 12.387 15.820 -1.108 477 1HG LYS 63 2HG LYS 63 11.652 15.952 -3.305 478 2HG LYS 63 1HG LYS 63 11.839 17.711 -3.363 479 1HD LYS 63 2HD LYS 63 14.261 17.460 -3.199 480 2HD LYS 63 1HD LYS 63 14.085 15.709 -3.133 481 1HE LYS 63 2HE LYS 63 13.246 17.458 -5.441 482 2HE LYS 63 1HE LYS 63 14.753 16.550 -5.355 483 1HZ LYS 63 1HZ LYS 63 13.141 14.559 -4.959 484 2HZ LYS 63 2HZ LYS 63 13.441 15.126 -6.526 485 3HZ LYS 63 3HZ LYS 63 12.012 15.571 -5.733 486 H VAL 64 H VAL 64 9.215 17.963 -2.477 487 HA VAL 64 HA VAL 64 10.100 20.642 -3.129 488 HB VAL 64 HB VAL 64 7.629 19.154 -4.037 489 1HG1 VAL 64 1HG1 VAL 64 7.342 21.558 -4.223 490 2HG1 VAL 64 2HG1 VAL 64 7.525 20.833 -5.820 491 3HG1 VAL 64 3HG1 VAL 64 8.878 21.690 -5.081 492 1HG2 VAL 64 1HG2 VAL 64 10.278 19.564 -5.416 493 2HG2 VAL 64 2HG2 VAL 64 8.855 18.802 -6.126 494 3HG2 VAL 64 3HG2 VAL 64 9.671 18.046 -4.756 495 H ARG 65 H ARG 65 7.338 19.122 -1.513 496 HA ARG 65 HA ARG 65 6.877 21.671 -0.130 497 1HB ARG 65 2HB ARG 65 4.470 21.321 -0.188 498 2HB ARG 65 1HB ARG 65 5.109 21.386 -1.823 499 1HG ARG 65 2HG ARG 65 4.916 19.014 -2.063 500 2HG ARG 65 1HG ARG 65 4.497 18.828 -0.360 501 1HD ARG 65 2HD ARG 65 2.866 20.244 -2.465 502 2HD ARG 65 1HD ARG 65 2.514 18.672 -1.751 503 HE ARG 65 HE ARG 65 2.691 20.970 0.046 504 1HH1 ARG 65 1HH1 ARG 65 0.698 18.585 -1.594 505 2HH1 ARG 65 2HH1 ARG 65 -0.715 18.947 -0.654 506 1HH2 ARG 65 1HH2 ARG 65 0.819 21.473 1.251 507 2HH2 ARG 65 2HH2 ARG 65 -0.651 20.598 0.952 508 H ARG 66 H ARG 66 6.775 21.496 2.013 509 HA ARG 66 HA ARG 66 7.321 18.973 3.230 510 1HB ARG 66 2HB ARG 66 7.031 21.783 4.193 511 2HB ARG 66 1HB ARG 66 6.957 20.474 5.366 512 1HG ARG 66 2HG ARG 66 9.142 19.831 4.991 513 2HG ARG 66 1HG ARG 66 9.197 20.584 3.397 514 1HD ARG 66 2HD ARG 66 8.902 22.198 5.910 515 2HD ARG 66 1HD ARG 66 10.482 21.721 5.288 516 HE ARG 66 HE ARG 66 8.672 23.110 3.466 517 1HH1 ARG 66 1HH1 ARG 66 11.466 23.236 5.584 518 2HH1 ARG 66 2HH1 ARG 66 12.123 24.665 4.835 519 1HH2 ARG 66 1HH2 ARG 66 9.534 24.986 2.481 520 2HH2 ARG 66 2HH2 ARG 66 11.036 25.644 3.057 521 HA PRO 67 HA PRO 67 3.053 17.876 3.691 522 1HB PRO 67 2HB PRO 67 3.476 15.380 4.577 523 2HB PRO 67 1HB PRO 67 3.776 15.837 2.897 524 1HG PRO 67 2HG PRO 67 5.720 15.498 5.143 525 2HG PRO 67 1HG PRO 67 5.863 14.988 3.450 526 1HD PRO 67 2HD PRO 67 7.014 17.257 4.476 527 2HD PRO 67 1HD PRO 67 6.579 17.048 2.770 528 H LYS 68 H LYS 68 1.594 17.258 5.349 529 HA LYS 68 HA LYS 68 2.508 18.185 7.990 530 1HB LYS 68 2HB LYS 68 -0.221 18.135 6.703 531 2HB LYS 68 1HB LYS 68 0.017 18.480 8.408 532 1HG LYS 68 2HG LYS 68 -0.222 20.552 7.281 533 2HG LYS 68 1HG LYS 68 1.474 20.396 7.738 534 1HD LYS 68 2HD LYS 68 2.051 19.734 5.477 535 2HD LYS 68 1HD LYS 68 0.350 19.787 5.007 536 1HE LYS 68 2HE LYS 68 1.542 21.795 4.283 537 2HE LYS 68 1HE LYS 68 0.282 22.177 5.454 538 1HZ LYS 68 1HZ LYS 68 3.199 21.983 6.007 539 2HZ LYS 68 2HZ LYS 68 2.010 22.257 7.183 540 3HZ LYS 68 3HZ LYS 68 2.273 23.402 5.960 541 H TYR 69 H TYR 69 1.041 15.487 6.329 542 HA TYR 69 HA TYR 69 0.596 14.153 8.924 543 1HB TYR 69 2HB TYR 69 -0.527 13.436 6.205 544 2HB TYR 69 1HB TYR 69 -0.894 12.626 7.720 545 HD1 TYR 69 1HD TYR 69 -1.697 15.361 5.536 546 HD2 TYR 69 2HD TYR 69 -2.160 13.889 9.496 547 HE1 TYR 69 1HE TYR 69 -3.595 16.883 5.868 548 HE2 TYR 69 2HE TYR 69 -4.062 15.409 9.844 549 HH TYR 69 HH TYR 69 -5.571 17.073 7.278 550 H VAL 70 H VAL 70 1.659 13.425 5.597 551 HA VAL 70 HA VAL 70 2.841 10.941 6.427 552 HB VAL 70 HB VAL 70 1.825 11.247 4.181 553 1HG1 VAL 70 1HG1 VAL 70 3.079 12.389 2.424 554 2HG1 VAL 70 2HG1 VAL 70 4.254 12.938 3.620 555 3HG1 VAL 70 3HG1 VAL 70 2.585 13.500 3.701 556 1HG2 VAL 70 1HG2 VAL 70 3.374 9.419 4.582 557 2HG2 VAL 70 2HG2 VAL 70 4.735 10.460 4.165 558 3HG2 VAL 70 3HG2 VAL 70 3.545 10.029 2.937 559 H HIS 71 H HIS 71 5.090 10.406 6.209 560 HA HIS 71 HA HIS 71 6.926 12.685 6.407 561 1HB HIS 71 2HB HIS 71 6.628 10.416 8.371 562 2HB HIS 71 1HB HIS 71 8.126 11.326 8.233 563 HD1 HIS 71 1HD HIS 71 4.438 12.007 8.940 564 HD2 HIS 71 2HD HIS 71 8.206 13.556 9.765 565 HE1 HIS 71 1HE HIS 71 4.057 13.855 10.593 566 HE2 HIS 71 2HE HIS 71 6.368 14.607 11.260 567 H LYS 72 H LYS 72 9.120 12.160 5.946 568 HA LYS 72 HA LYS 72 9.473 10.591 3.674 569 1HB LYS 72 2HB LYS 72 10.909 12.505 4.512 570 2HB LYS 72 1HB LYS 72 11.647 11.370 5.628 571 1HG LYS 72 2HG LYS 72 11.638 10.737 2.718 572 2HG LYS 72 1HG LYS 72 12.770 11.938 3.338 573 1HD LYS 72 2HD LYS 72 13.592 10.256 4.962 574 2HD LYS 72 1HD LYS 72 12.514 9.066 4.227 575 1HE LYS 72 2HE LYS 72 13.663 9.304 2.101 576 2HE LYS 72 1HE LYS 72 14.704 10.553 2.779 577 1HZ LYS 72 1HZ LYS 72 15.800 8.390 2.693 578 2HZ LYS 72 2HZ LYS 72 14.596 7.724 3.687 579 3HZ LYS 72 3HZ LYS 72 15.631 8.924 4.295 580 H GLU 73 H GLU 73 10.170 9.873 7.061 581 HA GLU 73 HA GLU 73 11.441 7.402 6.719 582 1HB GLU 73 2HB GLU 73 9.655 8.097 9.050 583 2HB GLU 73 1HB GLU 73 11.040 7.017 9.040 584 1HG GLU 73 2HG GLU 73 11.999 8.816 10.020 585 2HG GLU 73 1HG GLU 73 12.306 9.233 8.337 586 H GLN 74 H GLN 74 8.036 8.249 6.870 587 HA GLN 74 HA GLN 74 7.060 5.615 7.238 588 1HB GLN 74 2HB GLN 74 5.781 8.181 6.345 589 2HB GLN 74 1HB GLN 74 4.882 6.674 6.383 590 1HG GLN 74 2HG GLN 74 6.215 8.004 8.726 591 2HG GLN 74 1HG GLN 74 4.487 7.986 8.379 592 1HE2 GLN 74 1HE2 GLN 74 3.357 6.007 8.540 593 2HE2 GLN 74 2HE2 GLN 74 3.954 4.723 9.532 594 H ILE 75 H ILE 75 7.500 7.650 4.388 595 HA ILE 75 HA ILE 75 6.051 6.097 2.577 596 HB ILE 75 HB ILE 75 8.445 7.862 2.031 597 1HG1 ILE 75 2HG1 ILE 75 5.482 8.451 1.903 598 2HG1 ILE 75 1HG1 ILE 75 6.561 8.980 3.187 599 1HG2 ILE 75 1HG2 ILE 75 6.322 6.838 0.152 600 2HG2 ILE 75 2HG2 ILE 75 8.019 6.361 0.162 601 3HG2 ILE 75 3HG2 ILE 75 7.569 8.014 -0.260 602 1HD1 ILE 75 1HD1 ILE 75 6.745 9.777 0.296 603 2HD1 ILE 75 2HD1 ILE 75 7.806 10.325 1.591 604 3HD1 ILE 75 3HD1 ILE 75 6.097 10.765 1.606 605 H GLU 76 H GLU 76 9.451 5.911 3.516 606 HA GLU 76 HA GLU 76 10.131 3.931 1.578 607 1HB GLU 76 2HB GLU 76 11.529 4.649 4.160 608 2HB GLU 76 1HB GLU 76 12.217 3.711 2.840 609 1HG GLU 76 2HG GLU 76 12.016 5.652 1.367 610 2HG GLU 76 1HG GLU 76 11.349 6.588 2.706 611 H ALA 77 H ALA 77 9.116 3.879 4.939 612 HA ALA 77 HA ALA 77 9.519 1.113 5.373 613 1HB ALA 77 1HB ALA 77 9.313 2.700 7.216 614 2HB ALA 77 2HB ALA 77 8.117 1.412 7.352 615 3HB ALA 77 3HB ALA 77 7.632 3.006 6.776 616 H VAL 78 H VAL 78 6.699 3.016 4.368 617 HA VAL 78 HA VAL 78 4.866 0.869 4.395 618 HB VAL 78 HB VAL 78 4.781 3.482 2.880 619 1HG1 VAL 78 1HG1 VAL 78 3.338 1.881 1.758 620 2HG1 VAL 78 2HG1 VAL 78 2.357 3.059 2.633 621 3HG1 VAL 78 3HG1 VAL 78 2.594 1.440 3.294 622 1HG2 VAL 78 1HG2 VAL 78 3.256 4.185 4.638 623 2HG2 VAL 78 2HG2 VAL 78 4.797 3.677 5.330 624 3HG2 VAL 78 3HG2 VAL 78 3.397 2.607 5.415 625 H LYS 79 H LYS 79 6.938 2.191 1.845 626 HA LYS 79 HA LYS 79 5.925 0.824 -0.346 627 1HB LYS 79 2HB LYS 79 7.669 2.540 -0.516 628 2HB LYS 79 1HB LYS 79 8.819 1.462 0.256 629 1HG LYS 79 2HG LYS 79 8.380 -0.133 -1.675 630 2HG LYS 79 1HG LYS 79 7.584 1.228 -2.467 631 1HD LYS 79 2HD LYS 79 9.621 2.534 -2.329 632 2HD LYS 79 1HD LYS 79 10.423 1.233 -1.448 633 1HE LYS 79 2HE LYS 79 9.991 -0.231 -3.448 634 2HE LYS 79 1HE LYS 79 9.475 1.220 -4.307 635 1HZ LYS 79 1HZ LYS 79 11.778 0.748 -4.768 636 2HZ LYS 79 2HZ LYS 79 12.152 0.740 -3.117 637 3HZ LYS 79 3HZ LYS 79 11.670 2.186 -3.868 638 H ASP 80 H ASP 80 8.315 -0.246 2.028 639 HA ASP 80 HA ASP 80 8.648 -2.829 0.815 640 1HB ASP 80 2HB ASP 80 10.510 -1.941 2.029 641 2HB ASP 80 1HB ASP 80 9.527 -1.683 3.466 642 H ASN 81 H ASN 81 7.078 -1.653 3.782 643 HA ASN 81 HA ASN 81 6.208 -4.180 4.650 644 1HB ASN 81 2HB ASN 81 5.387 -1.379 5.312 645 2HB ASN 81 1HB ASN 81 4.460 -2.737 5.941 646 1HD2 ASN 81 1HD2 ASN 81 7.525 -1.098 5.976 647 2HD2 ASN 81 2HD2 ASN 81 8.148 -1.866 7.403 648 H PHE 82 H PHE 82 4.827 -1.985 2.316 649 HA PHE 82 HA PHE 82 2.232 -3.095 2.242 650 1HB PHE 82 2HB PHE 82 2.856 -0.947 1.144 651 2HB PHE 82 1HB PHE 82 3.783 -1.856 -0.045 652 HD1 PHE 82 1HD PHE 82 2.753 -2.725 -1.954 653 HD2 PHE 82 2HD PHE 82 0.363 -1.361 1.294 654 HE1 PHE 82 1HE PHE 82 0.736 -2.965 -3.343 655 HE2 PHE 82 2HE PHE 82 -1.658 -1.602 -0.085 656 HZ PHE 82 HZ PHE 82 -1.475 -2.406 -2.407 657 H LEU 83 H LEU 83 5.149 -3.809 0.340 658 HA LEU 83 HA LEU 83 4.027 -5.945 -1.127 659 1HB LEU 83 2HB LEU 83 6.873 -5.226 -0.448 660 2HB LEU 83 1HB LEU 83 6.467 -6.593 -1.461 661 HG LEU 83 HG LEU 83 5.883 -3.691 -2.054 662 1HD1 LEU 83 1HD1 LEU 83 8.214 -4.291 -2.364 663 2HD1 LEU 83 2HD1 LEU 83 7.429 -4.038 -3.924 664 3HD1 LEU 83 3HD1 LEU 83 7.745 -5.676 -3.350 665 1HD2 LEU 83 1HD2 LEU 83 5.213 -6.173 -3.631 666 2HD2 LEU 83 2HD2 LEU 83 5.058 -4.518 -4.224 667 3HD2 LEU 83 3HD2 LEU 83 4.067 -5.068 -2.871 668 H GLU 84 H GLU 84 5.821 -5.794 1.902 669 HA GLU 84 HA GLU 84 5.979 -8.523 2.481 670 1HB GLU 84 2HB GLU 84 5.623 -6.169 4.348 671 2HB GLU 84 1HB GLU 84 6.095 -7.784 4.855 672 1HG GLU 84 2HG GLU 84 7.684 -6.222 2.851 673 2HG GLU 84 1HG GLU 84 7.928 -6.048 4.588 674 H LEU 85 H LEU 85 3.455 -6.156 3.224 675 HA LEU 85 HA LEU 85 1.757 -7.791 4.719 676 1HB LEU 85 2HB LEU 85 1.738 -5.240 4.319 677 2HB LEU 85 1HB LEU 85 0.797 -5.605 2.891 678 HG LEU 85 HG LEU 85 -0.074 -6.467 5.648 679 1HD1 LEU 85 1HD1 LEU 85 -1.509 -4.493 5.686 680 2HD1 LEU 85 2HD1 LEU 85 -0.794 -3.935 4.174 681 3HD1 LEU 85 3HD1 LEU 85 0.194 -4.038 5.631 682 1HD2 LEU 85 1HD2 LEU 85 -2.282 -6.569 4.608 683 2HD2 LEU 85 2HD2 LEU 85 -1.139 -7.617 3.767 684 3HD2 LEU 85 3HD2 LEU 85 -1.588 -6.062 3.068 685 H VAL 86 H VAL 86 1.789 -7.112 1.228 686 HA VAL 86 HA VAL 86 -0.447 -8.604 0.507 687 HB VAL 86 HB VAL 86 2.089 -8.177 -1.089 688 1HG1 VAL 86 1HG1 VAL 86 -0.658 -8.995 -2.043 689 2HG1 VAL 86 2HG1 VAL 86 0.764 -10.036 -1.982 690 3HG1 VAL 86 3HG1 VAL 86 0.737 -8.645 -3.066 691 1HG2 VAL 86 1HG2 VAL 86 0.863 -6.349 -2.143 692 2HG2 VAL 86 2HG2 VAL 86 1.007 -6.096 -0.404 693 3HG2 VAL 86 3HG2 VAL 86 -0.517 -6.658 -1.090 694 H LEU 87 H LEU 87 2.953 -9.631 0.706 695 HA LEU 87 HA LEU 87 2.532 -12.285 -0.126 696 1HB LEU 87 2HB LEU 87 4.726 -11.192 -0.098 697 2HB LEU 87 1HB LEU 87 4.689 -11.146 1.653 698 HG LEU 87 HG LEU 87 4.691 -13.626 1.691 699 1HD1 LEU 87 1HD1 LEU 87 3.691 -14.014 -0.503 700 2HD1 LEU 87 2HD1 LEU 87 5.233 -14.855 -0.338 701 3HD1 LEU 87 3HD1 LEU 87 5.137 -13.365 -1.279 702 1HD2 LEU 87 1HD2 LEU 87 7.033 -13.888 1.066 703 2HD2 LEU 87 2HD2 LEU 87 6.772 -12.364 1.916 704 3HD2 LEU 87 3HD2 LEU 87 6.970 -12.374 0.163 705 H GLN 88 H GLN 88 2.669 -10.840 3.116 706 HA GLN 88 HA GLN 88 2.423 -13.367 4.434 707 1HB GLN 88 2HB GLN 88 2.343 -12.105 6.491 708 2HB GLN 88 1HB GLN 88 3.592 -11.443 5.448 709 1HG GLN 88 2HG GLN 88 1.850 -9.732 4.729 710 2HG GLN 88 1HG GLN 88 0.908 -10.291 6.109 711 1HE2 GLN 88 1HE2 GLN 88 4.393 -10.133 6.062 712 2HE2 GLN 88 2HE2 GLN 88 4.549 -8.846 7.203 713 H SER 89 H SER 89 0.161 -11.216 3.042 714 HA SER 89 HA SER 89 -2.075 -11.876 4.680 715 1HB SER 89 2HB SER 89 -1.965 -9.840 3.252 716 2HB SER 89 1HB SER 89 -2.059 -10.867 1.821 717 HG SER 89 HG SER 89 -4.040 -9.993 3.442 718 H TYR 90 H TYR 90 -0.599 -13.295 1.837 719 HA TYR 90 HA TYR 90 -2.778 -15.097 1.330 720 1HB TYR 90 2HB TYR 90 0.059 -15.037 0.297 721 2HB TYR 90 1HB TYR 90 -1.140 -16.216 -0.214 722 HD1 TYR 90 1HD TYR 90 0.346 -13.144 -0.971 723 HD2 TYR 90 2HD TYR 90 -3.405 -15.148 -1.106 724 HE1 TYR 90 1HE TYR 90 -0.414 -11.589 -2.715 725 HE2 TYR 90 2HE TYR 90 -4.177 -13.596 -2.850 726 HH TYR 90 HH TYR 90 -3.649 -11.308 -3.642 727 H VAL 91 H VAL 91 0.552 -15.553 2.536 728 HA VAL 91 HA VAL 91 -0.072 -18.317 3.167 729 HB VAL 91 HB VAL 91 2.332 -18.498 3.757 730 1HG1 VAL 91 1HG1 VAL 91 3.166 -18.284 1.480 731 2HG1 VAL 91 2HG1 VAL 91 1.789 -17.268 1.058 732 3HG1 VAL 91 3HG1 VAL 91 1.538 -18.960 1.486 733 1HG2 VAL 91 1HG2 VAL 91 3.832 -16.627 3.186 734 2HG2 VAL 91 2HG2 VAL 91 2.744 -16.234 4.519 735 3HG2 VAL 91 3HG2 VAL 91 2.420 -15.606 2.903 736 H HIS 92 H HIS 92 -0.167 -15.383 4.821 737 HA HIS 92 HA HIS 92 -0.489 -14.802 6.996 738 1HB HIS 92 2HB HIS 92 -1.114 -17.748 7.281 739 2HB HIS 92 1HB HIS 92 -1.357 -16.566 8.560 740 HD1 HIS 92 1HD HIS 92 -3.771 -18.107 7.602 741 HD2 HIS 92 2HD HIS 92 -2.564 -14.496 5.919 742 HE1 HIS 92 1HE HIS 92 -5.822 -17.145 6.505 743 HE2 HIS 92 2HE HIS 92 -5.014 -15.067 5.337 744 H HIS 93 H HIS 93 2.148 -15.258 6.186 745 HA HIS 93 HA HIS 93 3.470 -16.748 8.299 746 1HB HIS 93 2HB HIS 93 4.230 -16.736 5.864 747 2HB HIS 93 1HB HIS 93 4.790 -15.092 6.144 748 HD1 HIS 93 1HD HIS 93 5.388 -18.608 7.438 749 HD2 HIS 93 2HD HIS 93 7.301 -14.920 7.194 750 HE1 HIS 93 1HE HIS 93 7.753 -19.014 8.201 751 HE2 HIS 93 2HE HIS 93 8.938 -16.816 7.858 752 H ILE 94 H ILE 94 2.300 -15.145 9.755 753 HA ILE 94 HA ILE 94 4.158 -13.499 11.039 754 HB ILE 94 HB ILE 94 3.730 -12.020 9.055 755 1HG1 ILE 94 2HG1 ILE 94 2.777 -10.902 11.702 756 2HG1 ILE 94 1HG1 ILE 94 4.461 -11.096 11.232 757 1HG2 ILE 94 1HG2 ILE 94 1.403 -12.578 8.654 758 2HG2 ILE 94 2HG2 ILE 94 1.582 -10.841 8.909 759 3HG2 ILE 94 3HG2 ILE 94 0.948 -11.859 10.200 760 1HD1 ILE 94 1HD1 ILE 94 2.457 -9.319 9.861 761 2HD1 ILE 94 2HD1 ILE 94 4.160 -9.497 9.433 762 3HD1 ILE 94 3HD1 ILE 94 3.710 -8.796 10.987 763 H HIS 95 H HIS 95 3.066 -12.330 12.905 764 HA HIS 95 HA HIS 95 0.771 -13.953 13.715 765 1HB HIS 95 2HB HIS 95 2.716 -12.344 15.373 766 2HB HIS 95 1HB HIS 95 1.320 -13.191 16.034 767 HD1 HIS 95 1HD HIS 95 1.516 -15.732 16.356 768 HD2 HIS 95 2HD HIS 95 4.782 -14.039 14.404 769 HE1 HIS 95 1HE HIS 95 3.263 -17.543 16.242 770 HE2 HIS 95 2HE HIS 95 5.158 -16.542 14.910 771 H LYS 96 H LYS 96 -0.802 -12.835 15.208 772 HA LYS 96 HA LYS 96 -2.287 -11.204 13.529 773 1HB LYS 96 2HB LYS 96 -2.619 -11.608 16.502 774 2HB LYS 96 1HB LYS 96 -3.844 -10.968 15.415 775 1HG LYS 96 2HG LYS 96 -3.894 -13.086 14.209 776 2HG LYS 96 1HG LYS 96 -2.647 -13.728 15.281 777 1HD LYS 96 2HD LYS 96 -4.828 -14.508 15.993 778 2HD LYS 96 1HD LYS 96 -4.161 -13.406 17.199 779 1HE LYS 96 2HE LYS 96 -5.521 -11.583 16.229 780 2HE LYS 96 1HE LYS 96 -6.231 -12.741 15.105 781 1HZ LYS 96 1HZ LYS 96 -7.683 -12.402 16.979 782 2HZ LYS 96 2HZ LYS 96 -6.451 -12.814 18.069 783 3HZ LYS 96 3HZ LYS 96 -7.081 -13.987 17.016 784 H LYS 97 H LYS 97 -0.705 -10.235 16.598 785 HA LYS 97 HA LYS 97 -1.742 -7.612 16.482 786 1HB LYS 97 2HB LYS 97 -0.845 -8.849 18.531 787 2HB LYS 97 1HB LYS 97 0.755 -8.361 17.987 788 1HG LYS 97 2HG LYS 97 0.033 -6.003 18.072 789 2HG LYS 97 1HG LYS 97 -1.524 -6.533 18.705 790 1HD LYS 97 2HD LYS 97 -0.311 -7.588 20.610 791 2HD LYS 97 1HD LYS 97 1.176 -6.850 20.005 792 1HE LYS 97 2HE LYS 97 -1.318 -5.410 20.919 793 2HE LYS 97 1HE LYS 97 0.229 -5.479 21.763 794 1HZ LYS 97 1HZ LYS 97 1.253 -4.215 20.034 795 2HZ LYS 97 2HZ LYS 97 -0.148 -3.395 20.504 796 3HZ LYS 97 3HZ LYS 97 -0.135 -4.286 19.065 797 H ARG 98 H ARG 98 1.234 -9.005 15.257 798 HA ARG 98 HA ARG 98 2.435 -6.460 14.691 799 1HB ARG 98 2HB ARG 98 3.763 -8.525 15.122 800 2HB ARG 98 1HB ARG 98 3.184 -9.174 13.595 801 1HG ARG 98 2HG ARG 98 5.472 -8.201 13.499 802 2HG ARG 98 1HG ARG 98 4.333 -7.487 12.355 803 1HD ARG 98 2HD ARG 98 5.782 -5.821 13.497 804 2HD ARG 98 1HD ARG 98 4.059 -5.550 13.751 805 HE ARG 98 HE ARG 98 5.111 -7.124 15.858 806 1HH1 ARG 98 1HH1 ARG 98 5.244 -3.846 14.618 807 2HH1 ARG 98 2HH1 ARG 98 5.426 -3.120 16.187 808 1HH2 ARG 98 1HH2 ARG 98 5.351 -6.178 17.921 809 2HH2 ARG 98 2HH2 ARG 98 5.483 -4.457 18.070 810 H PHE 99 H PHE 99 0.649 -8.903 12.850 811 HA PHE 99 HA PHE 99 0.845 -7.703 10.319 812 1HB PHE 99 2HB PHE 99 -0.040 -9.976 10.650 813 2HB PHE 99 1HB PHE 99 -1.445 -9.318 11.480 814 HD1 PHE 99 1HD PHE 99 -3.260 -8.338 10.257 815 HD2 PHE 99 2HD PHE 99 0.230 -9.691 8.240 816 HE1 PHE 99 1HE PHE 99 -4.438 -8.159 8.105 817 HE2 PHE 99 2HE PHE 99 -0.941 -9.515 6.085 818 HZ PHE 99 HZ PHE 99 -3.279 -8.745 6.015 819 H LYS 100 H LYS 100 -1.506 -7.289 12.931 820 HA LYS 100 HA LYS 100 -3.176 -5.427 11.664 821 1HB LYS 100 2HB LYS 100 -3.506 -6.724 13.876 822 2HB LYS 100 1HB LYS 100 -2.589 -5.430 14.626 823 1HG LYS 100 2HG LYS 100 -5.079 -4.931 13.021 824 2HG LYS 100 1HG LYS 100 -5.108 -5.264 14.752 825 1HD LYS 100 2HD LYS 100 -3.611 -2.992 13.440 826 2HD LYS 100 1HD LYS 100 -5.182 -2.848 14.229 827 1HE LYS 100 2HE LYS 100 -4.163 -3.602 16.341 828 2HE LYS 100 1HE LYS 100 -2.596 -3.688 15.537 829 1HZ LYS 100 1HZ LYS 100 -4.224 -1.216 15.813 830 2HZ LYS 100 2HZ LYS 100 -2.657 -1.329 15.166 831 3HZ LYS 100 3HZ LYS 100 -2.914 -1.626 16.809 832 H ASP 101 H ASP 101 -0.265 -5.019 13.628 833 HA ASP 101 HA ASP 101 -0.268 -2.222 13.814 834 1HB ASP 101 2HB ASP 101 1.204 -3.680 15.155 835 2HB ASP 101 1HB ASP 101 2.114 -4.089 13.704 836 H ILE 102 H ILE 102 1.397 -4.339 11.500 837 HA ILE 102 HA ILE 102 2.521 -2.309 9.928 838 HB ILE 102 HB ILE 102 1.714 -5.112 9.135 839 1HG1 ILE 102 2HG1 ILE 102 4.390 -3.960 9.965 840 2HG1 ILE 102 1HG1 ILE 102 3.354 -4.956 10.983 841 1HG2 ILE 102 1HG2 ILE 102 3.274 -4.853 7.267 842 2HG2 ILE 102 2HG2 ILE 102 3.547 -3.169 7.720 843 3HG2 ILE 102 3HG2 ILE 102 1.954 -3.688 7.164 844 1HD1 ILE 102 1HD1 ILE 102 4.606 -5.839 8.392 845 2HD1 ILE 102 2HD1 ILE 102 3.648 -6.832 9.492 846 3HD1 ILE 102 3HD1 ILE 102 5.214 -6.206 10.006 847 H THR 103 H THR 103 -0.505 -4.133 9.497 848 HA THR 103 HA THR 103 -1.374 -2.917 7.149 849 HB THR 103 HB THR 103 -3.105 -3.901 9.431 850 HG1 THR 103 1HG THR 103 -1.746 -5.555 8.730 851 1HG2 THR 103 1HG2 THR 103 -4.387 -2.588 7.838 852 2HG2 THR 103 2HG2 THR 103 -4.782 -4.298 7.663 853 3HG2 THR 103 3HG2 THR 103 -3.714 -3.517 6.497 854 H GLU 104 H GLU 104 -1.979 -1.970 10.523 855 HA GLU 104 HA GLU 104 -3.614 0.240 10.011 856 1HB GLU 104 2HB GLU 104 -3.287 -0.876 12.204 857 2HB GLU 104 1HB GLU 104 -1.672 -0.196 12.285 858 1HG GLU 104 2HG GLU 104 -2.620 2.046 12.271 859 2HG GLU 104 1HG GLU 104 -4.240 1.356 12.217 860 H SER 105 H SER 105 -0.117 0.020 10.551 861 HA SER 105 HA SER 105 0.528 2.719 10.303 862 1HB SER 105 2HB SER 105 2.098 0.953 11.067 863 2HB SER 105 1HB SER 105 2.200 0.356 9.411 864 HG SER 105 HG SER 105 3.927 1.764 9.938 865 H VAL 106 H VAL 106 0.304 0.223 7.780 866 HA VAL 106 HA VAL 106 1.074 1.875 5.626 867 HB VAL 106 HB VAL 106 -0.638 -0.620 5.607 868 1HG1 VAL 106 1HG1 VAL 106 -0.104 -0.759 3.218 869 2HG1 VAL 106 2HG1 VAL 106 0.722 0.796 3.312 870 3HG1 VAL 106 3HG1 VAL 106 -1.017 0.703 3.586 871 1HG2 VAL 106 1HG2 VAL 106 1.433 -1.728 4.893 872 2HG2 VAL 106 2HG2 VAL 106 1.620 -0.970 6.475 873 3HG2 VAL 106 3HG2 VAL 106 2.299 -0.199 5.040 874 H LEU 107 H LEU 107 -2.191 0.868 6.696 875 HA LEU 107 HA LEU 107 -3.609 2.378 4.809 876 1HB LEU 107 2HB LEU 107 -4.282 1.136 7.424 877 2HB LEU 107 1HB LEU 107 -5.399 2.318 6.785 878 HG LEU 107 HG LEU 107 -6.110 0.083 6.182 879 1HD1 LEU 107 1HD1 LEU 107 -5.030 1.588 3.809 880 2HD1 LEU 107 2HD1 LEU 107 -6.574 1.881 4.611 881 3HD1 LEU 107 3HD1 LEU 107 -6.294 0.358 3.765 882 1HD2 LEU 107 1HD2 LEU 107 -4.781 -1.343 4.725 883 2HD2 LEU 107 2HD2 LEU 107 -3.936 -1.027 6.240 884 3HD2 LEU 107 3HD2 LEU 107 -3.462 -0.174 4.771 885 H TYR 108 H TYR 108 -2.544 3.241 8.086 886 HA TYR 108 HA TYR 108 -3.798 5.749 8.221 887 1HB TYR 108 2HB TYR 108 -2.731 4.604 10.156 888 2HB TYR 108 1HB TYR 108 -1.152 4.954 9.458 889 HD1 TYR 108 1HD TYR 108 -4.167 6.472 10.959 890 HD2 TYR 108 2HD TYR 108 -0.148 7.102 9.716 891 HE1 TYR 108 1HE TYR 108 -4.152 8.637 12.119 892 HE2 TYR 108 2HE TYR 108 -0.123 9.273 10.872 893 HH TYR 108 HH TYR 108 -2.499 10.184 13.108 894 H THR 109 H THR 109 -0.568 4.846 7.069 895 HA THR 109 HA THR 109 0.225 7.457 6.363 896 HB THR 109 HB THR 109 1.180 4.850 5.164 897 HG1 THR 109 1HG THR 109 1.609 4.686 7.310 898 1HG2 THR 109 1HG2 THR 109 3.231 6.080 4.668 899 2HG2 THR 109 2HG2 THR 109 2.530 7.548 5.350 900 3HG2 THR 109 3HG2 THR 109 1.847 6.844 3.882 901 H LEU 110 H LEU 110 -1.367 4.871 4.514 902 HA LEU 110 HA LEU 110 -1.405 6.158 2.022 903 1HB LEU 110 2HB LEU 110 -3.357 4.201 3.231 904 2HB LEU 110 1HB LEU 110 -3.411 4.721 1.557 905 HG LEU 110 HG LEU 110 -1.133 3.220 2.853 906 1HD1 LEU 110 1HD1 LEU 110 -3.109 1.838 2.564 907 2HD1 LEU 110 2HD1 LEU 110 -1.848 1.372 1.423 908 3HD1 LEU 110 3HD1 LEU 110 -3.223 2.329 0.874 909 1HD2 LEU 110 1HD2 LEU 110 -0.262 3.033 0.564 910 2HD2 LEU 110 2HD2 LEU 110 -0.343 4.711 1.100 911 3HD2 LEU 110 3HD2 LEU 110 -1.561 4.081 -0.009 912 H HIS 111 H HIS 111 -3.666 6.306 4.739 913 HA HIS 111 HA HIS 111 -5.593 7.979 3.541 914 1HB HIS 111 2HB HIS 111 -4.778 7.612 6.427 915 2HB HIS 111 1HB HIS 111 -6.099 8.666 5.943 916 HD1 HIS 111 1HD HIS 111 -7.324 6.829 7.629 917 HD2 HIS 111 2HD HIS 111 -6.278 5.559 3.803 918 HE1 HIS 111 1HE HIS 111 -8.739 4.798 7.170 919 HE2 HIS 111 2HE HIS 111 -8.261 4.199 4.764 920 H ALA 112 H ALA 112 -2.605 8.660 5.244 921 HA ALA 112 HA ALA 112 -2.911 11.463 5.430 922 1HB ALA 112 1HB ALA 112 -0.516 11.472 5.938 923 2HB ALA 112 2HB ALA 112 -0.404 9.789 5.426 924 3HB ALA 112 3HB ALA 112 -1.366 10.215 6.841 925 H VAL 113 H VAL 113 -1.263 9.380 3.069 926 HA VAL 113 HA VAL 113 -0.136 11.530 1.578 927 HB VAL 113 HB VAL 113 -0.658 8.681 0.681 928 1HG1 VAL 113 1HG1 VAL 113 1.118 9.106 -0.954 929 2HG1 VAL 113 2HG1 VAL 113 1.209 10.781 -0.411 930 3HG1 VAL 113 3HG1 VAL 113 -0.256 10.184 -1.191 931 1HG2 VAL 113 1HG2 VAL 113 0.724 8.760 2.692 932 2HG2 VAL 113 2HG2 VAL 113 1.809 9.908 1.908 933 3HG2 VAL 113 3HG2 VAL 113 1.673 8.260 1.291 934 H LYS 114 H LYS 114 -2.975 9.490 1.219 935 HA LYS 114 HA LYS 114 -3.940 10.371 -1.225 936 1HB LYS 114 2HB LYS 114 -4.738 8.456 0.243 937 2HB LYS 114 1HB LYS 114 -5.624 9.646 1.177 938 1HG LYS 114 2HG LYS 114 -6.048 9.257 -1.777 939 2HG LYS 114 1HG LYS 114 -6.923 8.331 -0.560 940 1HD LYS 114 2HD LYS 114 -7.739 10.477 0.398 941 2HD LYS 114 1HD LYS 114 -6.959 11.324 -0.939 942 1HE LYS 114 2HE LYS 114 -9.183 9.296 -1.130 943 2HE LYS 114 1HE LYS 114 -9.300 11.029 -1.432 944 1HZ LYS 114 1HZ LYS 114 -7.666 10.686 -3.258 945 2HZ LYS 114 2HZ LYS 114 -9.161 9.942 -3.517 946 3HZ LYS 114 3HZ LYS 114 -7.820 9.012 -3.036 947 H ASP 115 H ASP 115 -4.501 11.688 2.033 948 HA ASP 115 HA ASP 115 -6.339 13.679 1.246 949 1HB ASP 115 2HB ASP 115 -5.979 12.904 3.610 950 2HB ASP 115 1HB ASP 115 -4.458 13.788 3.618 951 H GLU 116 H GLU 116 -2.832 13.847 1.861 952 HA GLU 116 HA GLU 116 -2.708 16.634 1.409 953 1HB GLU 116 2HB GLU 116 -0.481 14.592 1.422 954 2HB GLU 116 1HB GLU 116 -0.256 16.338 1.461 955 1HG GLU 116 2HG GLU 116 -1.747 16.262 3.560 956 2HG GLU 116 1HG GLU 116 -1.391 14.537 3.562 957 H ILE 117 H ILE 117 -2.213 13.875 -0.739 958 HA ILE 117 HA ILE 117 -1.174 15.317 -2.922 959 HB ILE 117 HB ILE 117 -2.932 12.854 -2.957 960 1HG1 ILE 117 2HG1 ILE 117 0.070 13.172 -3.216 961 2HG1 ILE 117 1HG1 ILE 117 -0.778 12.538 -1.809 962 1HG2 ILE 117 1HG2 ILE 117 -2.096 12.519 -5.247 963 2HG2 ILE 117 2HG2 ILE 117 -1.291 14.085 -5.168 964 3HG2 ILE 117 3HG2 ILE 117 -3.051 13.996 -5.097 965 1HD1 ILE 117 1HD1 ILE 117 -1.576 10.655 -3.144 966 2HD1 ILE 117 2HD1 ILE 117 0.185 10.751 -3.144 967 3HD1 ILE 117 3HD1 ILE 117 -0.728 11.295 -4.553 968 H ALA 118 H ALA 118 -4.522 14.670 -1.910 969 HA ALA 118 HA ALA 118 -5.597 16.185 -4.127 970 1HB ALA 118 1HB ALA 118 -6.957 15.124 -1.653 971 2HB ALA 118 2HB ALA 118 -6.825 14.281 -3.196 972 3HB ALA 118 3HB ALA 118 -7.763 15.770 -3.081 973 H ARG 119 H ARG 119 -4.474 16.829 -0.951 974 HA ARG 119 HA ARG 119 -5.922 19.336 -0.701 975 1HB ARG 119 2HB ARG 119 -5.515 17.793 1.242 976 2HB ARG 119 1HB ARG 119 -3.807 18.186 1.127 977 1HG ARG 119 2HG ARG 119 -4.374 20.566 1.527 978 2HG ARG 119 1HG ARG 119 -6.055 20.087 1.762 979 1HD ARG 119 2HD ARG 119 -3.712 19.117 3.398 980 2HD ARG 119 1HD ARG 119 -4.845 20.375 3.886 981 HE ARG 119 HE ARG 119 -5.607 17.546 3.443 982 1HH1 ARG 119 1HH1 ARG 119 -5.974 20.624 5.102 983 2HH1 ARG 119 2HH1 ARG 119 -7.128 20.008 6.254 984 1HH2 ARG 119 1HH2 ARG 119 -7.090 16.729 4.978 985 2HH2 ARG 119 2HH2 ARG 119 -7.750 17.797 6.185 986 H GLU 120 H GLU 120 -3.304 18.431 -2.431 987 HA GLU 120 HA GLU 120 -1.359 20.343 -2.032 988 1HB GLU 120 2HB GLU 120 -0.824 20.192 -4.410 989 2HB GLU 120 1HB GLU 120 -1.156 18.600 -3.746 990 1HG GLU 120 2HG GLU 120 -3.310 18.545 -4.775 991 2HG GLU 120 1HG GLU 120 -3.163 20.229 -5.280 992 H ASP 121 H ASP 121 -4.512 20.725 -3.548 993 HA ASP 121 HA ASP 121 -4.123 23.633 -3.343 994 1HB ASP 121 2HB ASP 121 -4.176 22.957 -5.721 995 2HB ASP 121 1HB ASP 121 -5.750 22.211 -5.466 996 H SER 122 H SER 122 -6.983 21.699 -4.172 997 HA SER 122 HA SER 122 -8.205 22.339 -1.608 998 1HB SER 122 2HB SER 122 -9.488 23.158 -4.224 999 2HB SER 122 1HB SER 122 -10.133 23.420 -2.605 1000 HG SER 122 HG SER 122 -7.846 24.596 -3.800 1001 H ARG 123 H ARG 123 -9.063 20.471 -0.924 1002 HA ARG 123 HA ARG 123 -10.754 19.023 -2.856 1003 1HB ARG 123 2HB ARG 123 -10.323 16.944 -1.772 1004 2HB ARG 123 1HB ARG 123 -8.766 17.687 -2.091 1005 1HG ARG 123 2HG ARG 123 -8.505 18.290 0.209 1006 2HG ARG 123 1HG ARG 123 -10.159 17.788 0.577 1007 1HD ARG 123 2HD ARG 123 -9.518 15.481 -0.189 1008 2HD ARG 123 1HD ARG 123 -7.851 16.042 -0.262 1009 HE ARG 123 HE ARG 123 -7.795 16.159 2.084 1010 1HH1 ARG 123 1HH1 ARG 123 -10.922 15.098 0.899 1011 2HH1 ARG 123 2HH1 ARG 123 -11.372 14.327 2.385 1012 1HH2 ARG 123 1HH2 ARG 123 -8.394 15.115 4.054 1013 2HH2 ARG 123 2HH2 ARG 123 -9.953 14.337 4.167 Start of MODEL 9 1 1H MET 1 1HT MET 1 4.073 13.793 -23.003 2 2H MET 1 2HT MET 1 4.629 12.229 -23.299 3 3H MET 1 3HT MET 1 5.728 13.446 -22.866 4 HA MET 1 HA MET 1 5.335 12.019 -21.006 5 1HB MET 1 2HB MET 1 4.040 14.742 -20.787 6 2HB MET 1 1HB MET 1 4.418 13.729 -19.398 7 1HG MET 1 2HG MET 1 6.775 13.819 -19.939 8 2HG MET 1 1HG MET 1 6.429 14.750 -21.394 9 1HE MET 1 1HE MET 1 4.720 15.130 -17.856 10 2HE MET 1 2HE MET 1 5.761 16.338 -17.108 11 3HE MET 1 3HE MET 1 6.394 14.732 -17.469 12 H LEU 2 H LEU 2 4.072 10.540 -20.162 13 HA LEU 2 HA LEU 2 1.264 10.456 -20.951 14 1HB LEU 2 2HB LEU 2 3.007 8.439 -19.524 15 2HB LEU 2 1HB LEU 2 1.310 8.189 -19.874 16 HG LEU 2 HG LEU 2 2.495 6.981 -21.511 17 1HD1 LEU 2 1HD1 LEU 2 0.623 8.234 -22.407 18 2HD1 LEU 2 2HD1 LEU 2 1.905 8.075 -23.607 19 3HD1 LEU 2 3HD1 LEU 2 1.682 9.602 -22.752 20 1HD2 LEU 2 1HD2 LEU 2 4.264 7.916 -22.902 21 2HD2 LEU 2 2HD2 LEU 2 4.689 7.995 -21.192 22 3HD2 LEU 2 3HD2 LEU 2 4.149 9.447 -22.034 23 H SER 3 H SER 3 -0.368 10.939 -19.598 24 HA SER 3 HA SER 3 0.396 12.000 -17.011 25 1HB SER 3 2HB SER 3 -2.278 12.052 -18.425 26 2HB SER 3 1HB SER 3 -1.884 12.915 -16.939 27 HG SER 3 HG SER 3 -0.884 13.337 -19.554 28 H GLN 4 H GLN 4 0.889 9.904 -16.062 29 HA GLN 4 HA GLN 4 -1.369 8.249 -15.358 30 1HB GLN 4 2HB GLN 4 0.203 7.065 -13.869 31 2HB GLN 4 1HB GLN 4 0.808 7.179 -15.512 32 1HG GLN 4 2HG GLN 4 2.415 8.785 -14.925 33 2HG GLN 4 1HG GLN 4 1.641 9.110 -13.374 34 1HE2 GLN 4 1HE2 GLN 4 1.908 7.664 -11.687 35 2HE2 GLN 4 2HE2 GLN 4 3.154 6.470 -11.682 36 H THR 5 H THR 5 -2.681 8.537 -13.677 37 HA THR 5 HA THR 5 -2.503 11.020 -12.278 38 HB THR 5 HB THR 5 -4.608 9.924 -11.110 39 HG1 THR 5 1HG THR 5 -5.564 8.450 -12.694 40 1HG2 THR 5 1HG2 THR 5 -5.985 10.738 -12.973 41 2HG2 THR 5 2HG2 THR 5 -4.560 10.774 -14.013 42 3HG2 THR 5 3HG2 THR 5 -4.664 11.854 -12.620 43 H LEU 6 H LEU 6 -1.712 11.420 -10.357 44 HA LEU 6 HA LEU 6 -0.192 9.494 -8.955 45 1HB LEU 6 2HB LEU 6 0.350 11.893 -9.018 46 2HB LEU 6 1HB LEU 6 -1.105 12.247 -8.105 47 HG LEU 6 HG LEU 6 -0.173 10.941 -6.200 48 1HD1 LEU 6 1HD1 LEU 6 2.207 10.390 -6.206 49 2HD1 LEU 6 2HD1 LEU 6 2.318 10.883 -7.896 50 3HD1 LEU 6 3HD1 LEU 6 1.330 9.494 -7.445 51 1HD2 LEU 6 1HD2 LEU 6 1.509 13.236 -7.205 52 2HD2 LEU 6 2HD2 LEU 6 1.474 12.642 -5.543 53 3HD2 LEU 6 3HD2 LEU 6 0.026 13.359 -6.252 54 H LEU 7 H LEU 7 -3.328 11.012 -8.341 55 HA LEU 7 HA LEU 7 -3.691 9.942 -5.754 56 1HB LEU 7 2HB LEU 7 -4.937 11.878 -6.670 57 2HB LEU 7 1HB LEU 7 -5.791 10.793 -7.749 58 HG LEU 7 HG LEU 7 -6.779 9.648 -5.798 59 1HD1 LEU 7 1HD1 LEU 7 -5.025 10.079 -4.174 60 2HD1 LEU 7 2HD1 LEU 7 -6.584 10.654 -3.580 61 3HD1 LEU 7 3HD1 LEU 7 -5.400 11.803 -4.207 62 1HD2 LEU 7 1HD2 LEU 7 -7.192 12.633 -5.869 63 2HD2 LEU 7 2HD2 LEU 7 -8.284 11.467 -5.120 64 3HD2 LEU 7 3HD2 LEU 7 -8.018 11.435 -6.863 65 H GLU 8 H GLU 8 -4.743 8.814 -8.952 66 HA GLU 8 HA GLU 8 -6.237 6.618 -8.041 67 1HB GLU 8 2HB GLU 8 -4.919 7.272 -10.654 68 2HB GLU 8 1HB GLU 8 -5.730 5.734 -10.407 69 1HG GLU 8 2HG GLU 8 -7.807 6.887 -9.910 70 2HG GLU 8 1HG GLU 8 -6.998 8.443 -10.115 71 H MET 9 H MET 9 -2.811 6.988 -8.763 72 HA MET 9 HA MET 9 -2.109 4.267 -8.702 73 1HB MET 9 2HB MET 9 -0.614 6.090 -9.500 74 2HB MET 9 1HB MET 9 -0.419 6.625 -7.838 75 1HG MET 9 2HG MET 9 0.698 4.593 -7.241 76 2HG MET 9 1HG MET 9 0.355 3.888 -8.819 77 1HE MET 9 1HE MET 9 1.466 7.568 -8.023 78 2HE MET 9 2HE MET 9 3.219 7.442 -8.165 79 3HE MET 9 3HE MET 9 2.380 6.617 -6.850 80 H THR 10 H THR 10 -2.291 6.707 -6.139 81 HA THR 10 HA THR 10 -1.564 4.942 -4.026 82 HB THR 10 HB THR 10 -3.215 7.474 -3.809 83 HG1 THR 10 1HG THR 10 -0.779 7.237 -4.749 84 1HG2 THR 10 1HG2 THR 10 -1.417 6.063 -1.832 85 2HG2 THR 10 2HG2 THR 10 -3.178 6.118 -1.773 86 3HG2 THR 10 3HG2 THR 10 -2.242 7.598 -1.553 87 H GLU 11 H GLU 11 -4.659 6.063 -5.352 88 HA GLU 11 HA GLU 11 -6.442 4.861 -3.620 89 1HB GLU 11 2HB GLU 11 -6.562 5.472 -6.557 90 2HB GLU 11 1HB GLU 11 -7.897 4.647 -5.765 91 1HG GLU 11 2HG GLU 11 -6.797 7.304 -4.890 92 2HG GLU 11 1HG GLU 11 -8.184 7.098 -5.960 93 H GLN 12 H GLN 12 -4.790 3.457 -6.408 94 HA GLN 12 HA GLN 12 -6.070 0.951 -6.355 95 1HB GLN 12 2HB GLN 12 -4.239 2.155 -7.986 96 2HB GLN 12 1HB GLN 12 -3.230 0.977 -7.162 97 1HG GLN 12 2HG GLN 12 -5.733 0.376 -8.721 98 2HG GLN 12 1HG GLN 12 -4.081 0.121 -9.273 99 1HE2 GLN 12 1HE2 GLN 12 -2.884 -1.570 -8.431 100 2HE2 GLN 12 2HE2 GLN 12 -3.610 -2.861 -7.541 101 H MET 13 H MET 13 -3.017 2.056 -4.924 102 HA MET 13 HA MET 13 -2.290 -0.350 -3.688 103 1HB MET 13 2HB MET 13 -1.673 2.508 -2.937 104 2HB MET 13 1HB MET 13 -0.917 1.120 -2.176 105 1HG MET 13 2HG MET 13 0.001 0.440 -4.336 106 2HG MET 13 1HG MET 13 -0.750 1.847 -5.087 107 1HE MET 13 1HE MET 13 0.926 1.646 -1.536 108 2HE MET 13 2HE MET 13 2.579 2.136 -1.904 109 3HE MET 13 3HE MET 13 1.959 0.602 -2.516 110 H ILE 14 H ILE 14 -4.295 2.325 -2.534 111 HA ILE 14 HA ILE 14 -4.511 1.426 0.134 112 HB ILE 14 HB ILE 14 -6.423 3.167 -1.437 113 1HG1 ILE 14 2HG1 ILE 14 -4.224 3.891 0.517 114 2HG1 ILE 14 1HG1 ILE 14 -4.128 4.074 -1.232 115 1HG2 ILE 14 1HG2 ILE 14 -6.209 2.730 1.539 116 2HG2 ILE 14 2HG2 ILE 14 -7.516 2.164 0.501 117 3HG2 ILE 14 3HG2 ILE 14 -7.269 3.894 0.743 118 1HD1 ILE 14 1HD1 ILE 14 -4.608 6.190 -0.126 119 2HD1 ILE 14 2HD1 ILE 14 -6.068 5.491 0.577 120 3HD1 ILE 14 3HD1 ILE 14 -5.941 5.693 -1.170 121 H GLU 15 H GLU 15 -6.646 0.987 -2.678 122 HA GLU 15 HA GLU 15 -8.690 -0.369 -1.328 123 1HB GLU 15 2HB GLU 15 -8.893 0.590 -3.610 124 2HB GLU 15 1HB GLU 15 -7.883 -0.713 -4.221 125 1HG GLU 15 2HG GLU 15 -9.546 -2.348 -3.498 126 2HG GLU 15 1HG GLU 15 -10.561 -1.044 -2.888 127 H VAL 16 H VAL 16 -5.786 -1.623 -2.953 128 HA VAL 16 HA VAL 16 -6.387 -4.360 -2.659 129 HB VAL 16 HB VAL 16 -3.672 -3.024 -2.724 130 1HG1 VAL 16 1HG1 VAL 16 -4.424 -5.909 -3.190 131 2HG1 VAL 16 2HG1 VAL 16 -3.522 -5.274 -1.813 132 3HG1 VAL 16 3HG1 VAL 16 -2.820 -5.211 -3.430 133 1HG2 VAL 16 1HG2 VAL 16 -3.680 -3.618 -5.099 134 2HG2 VAL 16 2HG2 VAL 16 -5.010 -2.532 -4.699 135 3HG2 VAL 16 3HG2 VAL 16 -5.315 -4.253 -4.934 136 H ALA 17 H ALA 17 -4.656 -2.097 -0.543 137 HA ALA 17 HA ALA 17 -3.961 -3.996 1.433 138 1HB ALA 17 1HB ALA 17 -2.849 -1.825 1.239 139 2HB ALA 17 2HB ALA 17 -3.491 -2.078 2.862 140 3HB ALA 17 3HB ALA 17 -4.336 -1.016 1.733 141 H GLU 18 H GLU 18 -6.759 -1.836 1.066 142 HA GLU 18 HA GLU 18 -8.026 -2.436 3.487 143 1HB GLU 18 2HB GLU 18 -9.173 -1.650 0.810 144 2HB GLU 18 1HB GLU 18 -10.089 -1.705 2.298 145 1HG GLU 18 2HG GLU 18 -8.533 -0.021 3.254 146 2HG GLU 18 1HG GLU 18 -7.779 0.101 1.665 147 H LYS 19 H LYS 19 -8.303 -3.898 0.277 148 HA LYS 19 HA LYS 19 -10.246 -5.827 0.945 149 1HB LYS 19 2HB LYS 19 -8.178 -5.691 -1.240 150 2HB LYS 19 1HB LYS 19 -9.310 -7.026 -1.109 151 1HG LYS 19 2HG LYS 19 -11.177 -5.444 -1.302 152 2HG LYS 19 1HG LYS 19 -10.017 -4.124 -1.477 153 1HD LYS 19 2HD LYS 19 -9.160 -5.093 -3.513 154 2HD LYS 19 1HD LYS 19 -10.197 -6.507 -3.314 155 1HE LYS 19 2HE LYS 19 -12.170 -5.075 -3.508 156 2HE LYS 19 1HE LYS 19 -11.127 -3.670 -3.723 157 1HZ LYS 19 1HZ LYS 19 -10.270 -4.640 -5.750 158 2HZ LYS 19 2HZ LYS 19 -11.960 -4.527 -5.829 159 3HZ LYS 19 3HZ LYS 19 -11.227 -6.024 -5.532 160 H GLY 20 H GLY 20 -6.705 -5.959 0.887 161 1HA GLY 20 2HA GLY 20 -6.405 -8.655 1.596 162 2HA GLY 20 1HA GLY 20 -5.232 -7.388 1.909 163 H ALA 21 H ALA 21 -6.474 -5.770 3.679 164 HA ALA 21 HA ALA 21 -6.231 -7.098 6.135 165 1HB ALA 21 1HB ALA 21 -7.107 -5.069 7.144 166 2HB ALA 21 2HB ALA 21 -7.709 -4.524 5.579 167 3HB ALA 21 3HB ALA 21 -5.975 -4.661 5.854 168 H ASP 22 H ASP 22 -9.125 -6.100 4.343 169 HA ASP 22 HA ASP 22 -11.029 -6.995 6.195 170 1HB ASP 22 2HB ASP 22 -11.664 -5.502 4.403 171 2HB ASP 22 1HB ASP 22 -11.204 -6.694 3.191 172 H ARG 23 H ARG 23 -9.534 -8.646 3.441 173 HA ARG 23 HA ARG 23 -11.123 -10.987 3.608 174 1HB ARG 23 2HB ARG 23 -9.526 -10.076 1.710 175 2HB ARG 23 1HB ARG 23 -8.328 -11.060 2.540 176 1HG ARG 23 2HG ARG 23 -9.288 -12.329 0.749 177 2HG ARG 23 1HG ARG 23 -9.816 -13.018 2.288 178 1HD ARG 23 2HD ARG 23 -11.905 -11.619 2.055 179 2HD ARG 23 1HD ARG 23 -11.389 -11.270 0.406 180 HE ARG 23 HE ARG 23 -11.645 -13.603 -0.110 181 1HH1 ARG 23 1HH1 ARG 23 -12.965 -12.528 2.945 182 2HH1 ARG 23 2HH1 ARG 23 -13.982 -13.926 3.156 183 1HH2 ARG 23 1HH2 ARG 23 -13.010 -15.435 0.133 184 2HH2 ARG 23 2HH2 ARG 23 -13.986 -15.590 1.564 185 H TYR 24 H TYR 24 -8.019 -10.054 4.959 186 HA TYR 24 HA TYR 24 -7.347 -12.552 6.119 187 1HB TYR 24 2HB TYR 24 -5.865 -10.493 5.636 188 2HB TYR 24 1HB TYR 24 -6.481 -9.855 7.154 189 HD1 TYR 24 1HD TYR 24 -5.862 -10.926 9.291 190 HD2 TYR 24 2HD TYR 24 -4.251 -12.257 5.583 191 HE1 TYR 24 1HE TYR 24 -4.070 -12.103 10.496 192 HE2 TYR 24 2HE TYR 24 -2.461 -13.441 6.778 193 HH TYR 24 HH TYR 24 -2.515 -13.943 10.153 194 H GLN 25 H GLN 25 -9.164 -9.757 7.201 195 HA GLN 25 HA GLN 25 -9.335 -10.475 9.937 196 1HB GLN 25 2HB GLN 25 -9.653 -8.178 9.063 197 2HB GLN 25 1HB GLN 25 -11.160 -8.690 8.321 198 1HG GLN 25 2HG GLN 25 -12.174 -9.053 10.438 199 2HG GLN 25 1HG GLN 25 -10.635 -8.848 11.274 200 1HE2 GLN 25 1HE2 GLN 25 -13.250 -7.235 9.634 201 2HE2 GLN 25 2HE2 GLN 25 -12.836 -5.626 10.145 202 H GLU 26 H GLU 26 -11.365 -11.144 7.128 203 HA GLU 26 HA GLU 26 -13.443 -12.408 8.641 204 1HB GLU 26 2HB GLU 26 -13.796 -11.514 6.341 205 2HB GLU 26 1HB GLU 26 -12.751 -12.783 5.715 206 1HG GLU 26 2HG GLU 26 -14.319 -14.467 6.616 207 2HG GLU 26 1HG GLU 26 -15.384 -13.160 7.127 208 H GLY 27 H GLY 27 -10.586 -13.499 6.886 209 1HA GLY 27 2HA GLY 27 -9.267 -15.276 7.875 210 2HA GLY 27 1HA GLY 27 -10.767 -16.034 8.384 211 H LYS 28 H LYS 28 -11.892 -17.314 6.986 212 HA LYS 28 HA LYS 28 -11.470 -17.524 4.215 213 1HB LYS 28 2HB LYS 28 -10.160 -19.558 4.073 214 2HB LYS 28 1HB LYS 28 -9.240 -18.356 4.966 215 1HG LYS 28 2HG LYS 28 -10.017 -19.433 7.078 216 2HG LYS 28 1HG LYS 28 -10.740 -20.705 6.094 217 1HD LYS 28 2HD LYS 28 -8.597 -21.462 6.860 218 2HD LYS 28 1HD LYS 28 -8.493 -21.152 5.127 219 1HE LYS 28 2HE LYS 28 -7.317 -19.127 5.463 220 2HE LYS 28 1HE LYS 28 -7.682 -19.116 7.188 221 1HZ LYS 28 1HZ LYS 28 -5.422 -19.790 6.850 222 2HZ LYS 28 2HZ LYS 28 -5.881 -21.020 5.777 223 3HZ LYS 28 3HZ LYS 28 -6.304 -21.121 7.418 224 H ASN 29 H ASN 29 -12.432 -19.622 3.378 225 HA ASN 29 HA ASN 29 -14.119 -20.985 5.356 226 1HB ASN 29 2HB ASN 29 -15.457 -19.372 3.919 227 2HB ASN 29 1HB ASN 29 -15.039 -20.376 2.536 228 1HD2 ASN 29 1HD2 ASN 29 -17.643 -19.748 3.752 229 2HD2 ASN 29 2HD2 ASN 29 -18.366 -21.275 4.132 230 H SER 30 H SER 30 -14.111 -21.609 1.915 231 HA SER 30 HA SER 30 -12.307 -23.891 2.354 232 1HB SER 30 2HB SER 30 -13.500 -24.878 0.330 233 2HB SER 30 1HB SER 30 -14.457 -24.769 1.807 234 HG SER 30 HG SER 30 -15.558 -24.018 -0.096 235 H ASN 31 H ASN 31 -12.335 -20.900 1.292 236 HA ASN 31 HA ASN 31 -11.078 -21.202 -1.292 237 1HB ASN 31 2HB ASN 31 -11.407 -18.723 0.414 238 2HB ASN 31 1HB ASN 31 -10.959 -18.765 -1.289 239 1HD2 ASN 31 1HD2 ASN 31 -12.530 -19.138 -2.834 240 2HD2 ASN 31 2HD2 ASN 31 -14.223 -19.094 -2.466 241 H HIS 32 H HIS 32 -9.028 -21.704 -1.482 242 HA HIS 32 HA HIS 32 -6.992 -20.332 -0.012 243 1HB HIS 32 2HB HIS 32 -5.934 -22.513 0.831 244 2HB HIS 32 1HB HIS 32 -7.306 -21.886 1.734 245 HD1 HIS 32 1HD HIS 32 -8.977 -23.588 2.333 246 HD2 HIS 32 2HD HIS 32 -6.878 -24.637 -1.105 247 HE1 HIS 32 1HE HIS 32 -9.815 -25.867 1.692 248 HE2 HIS 32 2HE HIS 32 -8.693 -26.383 -0.504 249 H SER 33 H SER 33 -7.588 -20.362 -2.631 250 HA SER 33 HA SER 33 -6.061 -22.333 -4.068 251 1HB SER 33 2HB SER 33 -8.125 -21.390 -5.003 252 2HB SER 33 1HB SER 33 -7.410 -19.782 -4.986 253 HG SER 33 HG SER 33 -6.813 -20.275 -6.926 254 H TYR 34 H TYR 34 -3.975 -22.041 -3.187 255 HA TYR 34 HA TYR 34 -2.301 -20.308 -4.641 256 1HB TYR 34 2HB TYR 34 -1.430 -18.967 -2.678 257 2HB TYR 34 1HB TYR 34 -3.027 -18.507 -3.246 258 HD1 TYR 34 1HD TYR 34 -1.314 -20.522 -0.615 259 HD2 TYR 34 2HD TYR 34 -4.817 -18.384 -1.746 260 HE1 TYR 34 1HE TYR 34 -2.201 -20.783 1.662 261 HE2 TYR 34 2HE TYR 34 -5.712 -18.641 0.531 262 HH TYR 34 HH TYR 34 -3.780 -20.006 3.125 263 H ASP 35 H ASP 35 -0.267 -21.118 -4.650 264 HA ASP 35 HA ASP 35 0.786 -22.295 -2.220 265 1HB ASP 35 2HB ASP 35 -0.210 -24.212 -3.538 266 2HB ASP 35 1HB ASP 35 0.980 -23.872 -4.792 267 H PHE 36 H PHE 36 1.728 -20.144 -2.566 268 HA PHE 36 HA PHE 36 3.650 -18.971 -2.720 269 1HB PHE 36 2HB PHE 36 4.777 -21.118 -2.266 270 2HB PHE 36 1HB PHE 36 4.832 -21.445 -3.993 271 HD1 PHE 36 1HD PHE 36 5.878 -18.851 -1.525 272 HD2 PHE 36 2HD PHE 36 6.727 -20.882 -5.168 273 HE1 PHE 36 1HE PHE 36 8.038 -17.681 -1.668 274 HE2 PHE 36 2HE PHE 36 8.886 -19.714 -5.318 275 HZ PHE 36 HZ PHE 36 9.546 -18.112 -3.567 276 H PHE 37 H PHE 37 2.132 -20.238 -5.537 277 HA PHE 37 HA PHE 37 3.595 -18.244 -7.138 278 1HB PHE 37 2HB PHE 37 3.970 -20.734 -7.659 279 2HB PHE 37 1HB PHE 37 2.346 -20.700 -8.340 280 HD1 PHE 37 1HD PHE 37 5.752 -19.343 -8.642 281 HD2 PHE 37 2HD PHE 37 1.920 -19.698 -10.461 282 HE1 PHE 37 1HE PHE 37 6.681 -18.485 -10.753 283 HE2 PHE 37 2HE PHE 37 2.843 -18.842 -12.576 284 HZ PHE 37 HZ PHE 37 5.227 -18.235 -12.725 285 H GLU 38 H GLU 38 0.453 -19.881 -6.788 286 HA GLU 38 HA GLU 38 -1.046 -18.867 -8.774 287 1HB GLU 38 2HB GLU 38 -1.813 -19.286 -5.900 288 2HB GLU 38 1HB GLU 38 -2.993 -18.826 -7.121 289 1HG GLU 38 2HG GLU 38 -1.262 -21.284 -7.220 290 2HG GLU 38 1HG GLU 38 -2.945 -21.239 -6.702 291 H THR 39 H THR 39 -1.341 -17.216 -5.631 292 HA THR 39 HA THR 39 -2.107 -14.795 -7.050 293 HB THR 39 HB THR 39 -2.531 -14.006 -4.627 294 HG1 THR 39 1HG THR 39 -2.785 -15.761 -3.158 295 1HG2 THR 39 1HG2 THR 39 -4.105 -16.312 -5.778 296 2HG2 THR 39 2HG2 THR 39 -4.322 -14.606 -6.175 297 3HG2 THR 39 3HG2 THR 39 -4.685 -15.187 -4.550 298 H ILE 40 H ILE 40 0.695 -16.125 -5.939 299 HA ILE 40 HA ILE 40 1.838 -13.657 -4.886 300 HB ILE 40 HB ILE 40 3.120 -16.403 -5.035 301 1HG1 ILE 40 2HG1 ILE 40 2.648 -16.251 -2.462 302 2HG1 ILE 40 1HG1 ILE 40 1.392 -15.115 -2.940 303 1HG2 ILE 40 1HG2 ILE 40 4.743 -14.607 -4.810 304 2HG2 ILE 40 2HG2 ILE 40 4.635 -15.531 -3.310 305 3HG2 ILE 40 3HG2 ILE 40 3.854 -13.953 -3.433 306 1HD1 ILE 40 1HD1 ILE 40 1.628 -17.983 -3.825 307 2HD1 ILE 40 2HD1 ILE 40 0.374 -16.850 -4.332 308 3HD1 ILE 40 3HD1 ILE 40 0.491 -17.338 -2.641 309 H LYS 41 H LYS 41 1.248 -14.660 -7.823 310 HA LYS 41 HA LYS 41 3.848 -13.834 -8.894 311 1HB LYS 41 2HB LYS 41 3.103 -15.974 -9.761 312 2HB LYS 41 1HB LYS 41 1.572 -15.279 -10.261 313 1HG LYS 41 2HG LYS 41 3.009 -15.567 -12.169 314 2HG LYS 41 1HG LYS 41 2.763 -13.846 -11.863 315 1HD LYS 41 2HD LYS 41 4.933 -13.743 -10.728 316 2HD LYS 41 1HD LYS 41 5.179 -15.462 -11.042 317 1HE LYS 41 2HE LYS 41 5.080 -15.023 -13.455 318 2HE LYS 41 1HE LYS 41 4.871 -13.304 -13.125 319 1HZ LYS 41 1HZ LYS 41 7.241 -14.930 -12.363 320 2HZ LYS 41 2HZ LYS 41 7.043 -13.271 -12.076 321 3HZ LYS 41 3HZ LYS 41 7.163 -13.843 -13.664 322 HA PRO 42 HA PRO 42 0.980 -11.041 -11.497 323 1HB PRO 42 2HB PRO 42 -1.674 -10.882 -10.932 324 2HB PRO 42 1HB PRO 42 -0.996 -12.044 -12.078 325 1HG PRO 42 2HG PRO 42 -1.793 -12.446 -9.221 326 2HG PRO 42 1HG PRO 42 -2.078 -13.495 -10.623 327 1HD PRO 42 2HD PRO 42 -0.103 -13.966 -8.840 328 2HD PRO 42 1HD PRO 42 0.053 -14.367 -10.562 329 H ALA 43 H ALA 43 -0.370 -11.286 -8.212 330 HA ALA 43 HA ALA 43 -0.877 -8.531 -7.903 331 1HB ALA 43 1HB ALA 43 -1.148 -9.031 -5.535 332 2HB ALA 43 2HB ALA 43 -0.409 -10.614 -5.774 333 3HB ALA 43 3HB ALA 43 -1.959 -10.243 -6.530 334 H VAL 44 H VAL 44 1.924 -10.532 -7.157 335 HA VAL 44 HA VAL 44 3.300 -8.569 -5.656 336 HB VAL 44 HB VAL 44 4.374 -10.974 -7.142 337 1HG1 VAL 44 1HG1 VAL 44 6.380 -10.733 -5.780 338 2HG1 VAL 44 2HG1 VAL 44 5.733 -9.259 -5.062 339 3HG1 VAL 44 3HG1 VAL 44 6.135 -9.302 -6.780 340 1HG2 VAL 44 1HG2 VAL 44 3.703 -10.534 -4.233 341 2HG2 VAL 44 2HG2 VAL 44 4.443 -11.987 -4.907 342 3HG2 VAL 44 3HG2 VAL 44 2.801 -11.533 -5.371 343 H GLU 45 H GLU 45 3.530 -9.544 -9.087 344 HA GLU 45 HA GLU 45 5.597 -7.844 -9.839 345 1HB GLU 45 2HB GLU 45 3.225 -8.809 -11.445 346 2HB GLU 45 1HB GLU 45 4.641 -8.036 -12.132 347 1HG GLU 45 2HG GLU 45 6.033 -9.868 -11.230 348 2HG GLU 45 1HG GLU 45 4.562 -10.656 -10.665 349 H GLU 46 H GLU 46 2.098 -7.253 -9.853 350 HA GLU 46 HA GLU 46 2.126 -4.689 -10.941 351 1HB GLU 46 2HB GLU 46 0.235 -6.239 -9.206 352 2HB GLU 46 1HB GLU 46 -0.092 -4.572 -9.608 353 1HG GLU 46 2HG GLU 46 0.486 -6.556 -11.756 354 2HG GLU 46 1HG GLU 46 -1.127 -6.426 -11.052 355 H ASN 47 H ASN 47 2.041 -5.710 -7.522 356 HA ASN 47 HA ASN 47 1.934 -2.985 -6.645 357 1HB ASN 47 2HB ASN 47 2.161 -5.586 -5.145 358 2HB ASN 47 1HB ASN 47 2.166 -4.019 -4.339 359 1HD2 ASN 47 1HD2 ASN 47 0.269 -6.360 -6.035 360 2HD2 ASN 47 2HD2 ASN 47 -1.268 -5.619 -5.748 361 H ASP 48 H ASP 48 4.493 -5.312 -7.113 362 HA ASP 48 HA ASP 48 6.504 -4.056 -5.601 363 1HB ASP 48 2HB ASP 48 6.721 -6.308 -6.622 364 2HB ASP 48 1HB ASP 48 6.807 -5.561 -8.212 365 H GLU 49 H GLU 49 5.699 -3.706 -9.058 366 HA GLU 49 HA GLU 49 7.302 -1.463 -9.572 367 1HB GLU 49 2HB GLU 49 5.079 -2.860 -10.860 368 2HB GLU 49 1HB GLU 49 5.085 -1.134 -11.185 369 1HG GLU 49 2HG GLU 49 7.730 -2.112 -11.479 370 2HG GLU 49 1HG GLU 49 6.637 -3.157 -12.386 371 H LEU 50 H LEU 50 3.929 -1.730 -8.556 372 HA LEU 50 HA LEU 50 3.189 0.935 -8.695 373 1HB LEU 50 2HB LEU 50 1.951 -1.357 -8.028 374 2HB LEU 50 1HB LEU 50 2.111 -0.640 -6.436 375 HG LEU 50 HG LEU 50 0.915 1.373 -7.247 376 1HD1 LEU 50 1HD1 LEU 50 -0.253 1.267 -9.403 377 2HD1 LEU 50 2HD1 LEU 50 0.571 -0.252 -9.765 378 3HD1 LEU 50 3HD1 LEU 50 1.501 1.240 -9.598 379 1HD2 LEU 50 1HD2 LEU 50 -1.300 0.317 -7.411 380 2HD2 LEU 50 2HD2 LEU 50 -0.321 -0.387 -6.126 381 3HD2 LEU 50 3HD2 LEU 50 -0.523 -1.248 -7.652 382 H ALA 51 H ALA 51 4.444 -0.817 -5.850 383 HA ALA 51 HA ALA 51 4.372 1.401 -4.111 384 1HB ALA 51 1HB ALA 51 5.770 0.063 -2.632 385 2HB ALA 51 2HB ALA 51 6.100 -1.062 -3.950 386 3HB ALA 51 3HB ALA 51 4.461 -0.905 -3.314 387 H ALA 52 H ALA 52 6.924 0.119 -6.205 388 HA ALA 52 HA ALA 52 9.000 1.789 -5.239 389 1HB ALA 52 1HB ALA 52 10.218 1.128 -7.229 390 2HB ALA 52 2HB ALA 52 8.734 0.532 -7.971 391 3HB ALA 52 3HB ALA 52 9.390 -0.271 -6.543 392 H ARG 53 H ARG 53 6.753 2.081 -7.954 393 HA ARG 53 HA ARG 53 7.683 4.529 -8.970 394 1HB ARG 53 2HB ARG 53 5.898 2.600 -9.701 395 2HB ARG 53 1HB ARG 53 4.806 3.881 -9.193 396 1HG ARG 53 2HG ARG 53 5.853 5.397 -10.742 397 2HG ARG 53 1HG ARG 53 6.980 4.144 -11.248 398 1HD ARG 53 2HD ARG 53 4.990 2.755 -11.886 399 2HD ARG 53 1HD ARG 53 3.989 4.176 -11.600 400 HE ARG 53 HE ARG 53 5.196 5.272 -13.417 401 1HH1 ARG 53 1HH1 ARG 53 5.549 1.806 -13.131 402 2HH1 ARG 53 2HH1 ARG 53 5.866 1.560 -14.817 403 1HH2 ARG 53 1HH2 ARG 53 5.612 4.966 -15.659 404 2HH2 ARG 53 2HH2 ARG 53 5.910 3.358 -16.247 405 H TRP 54 H TRP 54 5.174 3.680 -6.624 406 HA TRP 54 HA TRP 54 4.137 6.246 -6.200 407 1HB TRP 54 2HB TRP 54 3.044 4.173 -5.426 408 2HB TRP 54 1HB TRP 54 4.321 3.948 -4.237 409 HD1 TRP 54 HD TRP 54 1.370 6.292 -5.023 410 HE1 TRP 54 1HE TRP 54 0.619 7.421 -2.834 411 HE3 TRP 54 3HE TRP 54 5.052 4.561 -1.930 412 HZ2 TRP 54 2HZ TRP 54 1.485 7.553 -0.142 413 HZ3 TRP 54 3HZ TRP 54 5.019 5.232 0.435 414 HH2 TRP 54 HH TRP 54 3.272 6.697 1.309 415 H ALA 55 H ALA 55 6.683 4.476 -4.466 416 HA ALA 55 HA ALA 55 7.263 6.411 -2.547 417 1HB ALA 55 1HB ALA 55 8.106 4.097 -2.495 418 2HB ALA 55 2HB ALA 55 9.389 5.286 -2.271 419 3HB ALA 55 3HB ALA 55 9.194 4.485 -3.829 420 H GLU 56 H GLU 56 8.650 5.961 -5.786 421 HA GLU 56 HA GLU 56 10.567 7.975 -5.688 422 1HB GLU 56 2HB GLU 56 9.163 6.409 -7.757 423 2HB GLU 56 1HB GLU 56 9.928 7.884 -8.299 424 1HG GLU 56 2HG GLU 56 11.257 5.610 -6.857 425 2HG GLU 56 1HG GLU 56 11.416 6.001 -8.563 426 H GLY 57 H GLY 57 7.197 8.075 -6.845 427 1HA GLY 57 2HA GLY 57 7.270 10.824 -7.571 428 2HA GLY 57 1HA GLY 57 5.822 9.859 -7.330 429 H ALA 58 H ALA 58 6.224 9.131 -4.644 430 HA ALA 58 HA ALA 58 5.157 11.378 -3.319 431 1HB ALA 58 1HB ALA 58 4.677 9.077 -2.644 432 2HB ALA 58 2HB ALA 58 5.304 10.032 -1.297 433 3HB ALA 58 3HB ALA 58 6.352 8.881 -2.126 434 H LEU 59 H LEU 59 8.407 9.968 -3.342 435 HA LEU 59 HA LEU 59 9.580 11.631 -1.436 436 1HB LEU 59 2HB LEU 59 10.598 10.106 -3.807 437 2HB LEU 59 1HB LEU 59 11.673 11.112 -2.872 438 HG LEU 59 HG LEU 59 10.085 8.784 -1.800 439 1HD1 LEU 59 1HD1 LEU 59 13.031 9.075 -2.381 440 2HD1 LEU 59 2HD1 LEU 59 11.889 8.045 -3.246 441 3HD1 LEU 59 3HD1 LEU 59 12.283 7.705 -1.560 442 1HD2 LEU 59 1HD2 LEU 59 10.407 10.521 -0.116 443 2HD2 LEU 59 2HD2 LEU 59 12.139 10.539 -0.454 444 3HD2 LEU 59 3HD2 LEU 59 11.392 9.103 0.244 445 H GLU 60 H GLU 60 9.041 12.071 -4.897 446 HA GLU 60 HA GLU 60 10.483 14.513 -5.123 447 1HB GLU 60 2HB GLU 60 9.626 12.903 -6.985 448 2HB GLU 60 1HB GLU 60 8.121 13.798 -6.842 449 1HG GLU 60 2HG GLU 60 9.368 14.734 -8.639 450 2HG GLU 60 1HG GLU 60 9.383 15.888 -7.308 451 H LEU 61 H LEU 61 7.125 13.679 -4.446 452 HA LEU 61 HA LEU 61 5.998 16.242 -4.579 453 1HB LEU 61 2HB LEU 61 4.664 14.209 -4.560 454 2HB LEU 61 1HB LEU 61 5.185 13.852 -2.926 455 HG LEU 61 HG LEU 61 4.032 15.933 -2.163 456 1HD1 LEU 61 1HD1 LEU 61 2.410 16.984 -3.647 457 2HD1 LEU 61 2HD1 LEU 61 2.935 15.947 -4.972 458 3HD1 LEU 61 3HD1 LEU 61 4.044 17.136 -4.290 459 1HD2 LEU 61 1HD2 LEU 61 2.976 13.749 -1.951 460 2HD2 LEU 61 2HD2 LEU 61 2.321 13.896 -3.581 461 3HD2 LEU 61 3HD2 LEU 61 1.779 14.993 -2.312 462 H ILE 62 H ILE 62 7.208 14.440 -1.745 463 HA ILE 62 HA ILE 62 6.661 16.585 0.062 464 HB ILE 62 HB ILE 62 7.978 15.286 1.702 465 1HG1 ILE 62 2HG1 ILE 62 8.369 13.342 -0.582 466 2HG1 ILE 62 1HG1 ILE 62 9.633 14.340 0.125 467 1HG2 ILE 62 1HG2 ILE 62 6.464 13.348 1.775 468 2HG2 ILE 62 2HG2 ILE 62 5.945 13.713 0.129 469 3HG2 ILE 62 3HG2 ILE 62 5.609 14.853 1.433 470 1HD1 ILE 62 1HD1 ILE 62 9.341 13.180 2.259 471 2HD1 ILE 62 2HD1 ILE 62 9.758 12.073 0.951 472 3HD1 ILE 62 3HD1 ILE 62 8.095 12.169 1.527 473 H LYS 63 H LYS 63 9.207 15.924 -2.093 474 HA LYS 63 HA LYS 63 11.228 17.453 -0.708 475 1HB LYS 63 2HB LYS 63 12.108 15.737 -2.037 476 2HB LYS 63 1HB LYS 63 11.015 16.078 -3.370 477 1HG LYS 63 2HG LYS 63 12.301 18.296 -3.577 478 2HG LYS 63 1HG LYS 63 13.525 17.499 -2.583 479 1HD LYS 63 2HD LYS 63 13.895 15.827 -4.186 480 2HD LYS 63 1HD LYS 63 12.408 16.212 -5.055 481 1HE LYS 63 2HE LYS 63 13.422 18.447 -5.585 482 2HE LYS 63 1HE LYS 63 14.939 17.839 -4.921 483 1HZ LYS 63 1HZ LYS 63 14.817 17.600 -7.330 484 2HZ LYS 63 2HZ LYS 63 13.446 16.609 -7.173 485 3HZ LYS 63 3HZ LYS 63 14.943 16.092 -6.561 486 H VAL 64 H VAL 64 9.228 17.849 -3.607 487 HA VAL 64 HA VAL 64 10.252 20.506 -4.083 488 HB VAL 64 HB VAL 64 8.115 18.923 -5.516 489 1HG1 VAL 64 1HG1 VAL 64 8.335 20.559 -7.317 490 2HG1 VAL 64 2HG1 VAL 64 9.472 21.489 -6.343 491 3HG1 VAL 64 3HG1 VAL 64 7.793 21.330 -5.827 492 1HG2 VAL 64 1HG2 VAL 64 10.353 17.937 -5.659 493 2HG2 VAL 64 2HG2 VAL 64 10.984 19.467 -6.267 494 3HG2 VAL 64 3HG2 VAL 64 9.813 18.556 -7.219 495 H ARG 65 H ARG 65 7.271 19.056 -2.860 496 HA ARG 65 HA ARG 65 6.094 21.733 -2.700 497 1HB ARG 65 2HB ARG 65 4.737 20.041 -3.831 498 2HB ARG 65 1HB ARG 65 4.786 19.023 -2.402 499 1HG ARG 65 2HG ARG 65 2.656 20.157 -2.579 500 2HG ARG 65 1HG ARG 65 3.535 20.711 -1.154 501 1HD ARG 65 2HD ARG 65 4.268 22.701 -2.413 502 2HD ARG 65 1HD ARG 65 3.320 22.152 -3.796 503 HE ARG 65 HE ARG 65 1.622 22.263 -1.588 504 1HH1 ARG 65 1HH1 ARG 65 3.480 24.487 -3.559 505 2HH1 ARG 65 2HH1 ARG 65 2.383 25.807 -3.318 506 1HH2 ARG 65 1HH2 ARG 65 0.160 23.985 -1.299 507 2HH2 ARG 65 2HH2 ARG 65 0.502 25.528 -2.038 508 H ARG 66 H ARG 66 5.049 19.173 -0.562 509 HA ARG 66 HA ARG 66 6.331 20.329 1.758 510 1HB ARG 66 2HB ARG 66 3.351 20.629 1.306 511 2HB ARG 66 1HB ARG 66 4.129 20.834 2.866 512 1HG ARG 66 2HG ARG 66 4.835 22.483 0.457 513 2HG ARG 66 1HG ARG 66 3.583 22.942 1.611 514 1HD ARG 66 2HD ARG 66 6.463 22.407 2.326 515 2HD ARG 66 1HD ARG 66 5.782 24.009 2.044 516 HE ARG 66 HE ARG 66 4.231 22.706 3.987 517 1HH1 ARG 66 1HH1 ARG 66 7.416 24.100 3.581 518 2HH1 ARG 66 2HH1 ARG 66 7.619 24.454 5.271 519 1HH2 ARG 66 1HH2 ARG 66 4.474 23.201 6.207 520 2HH2 ARG 66 2HH2 ARG 66 5.935 23.962 6.760 521 HA PRO 67 HA PRO 67 4.967 16.274 3.183 522 1HB PRO 67 2HB PRO 67 6.705 16.155 5.285 523 2HB PRO 67 1HB PRO 67 7.154 15.743 3.629 524 1HG PRO 67 2HG PRO 67 7.984 18.020 5.237 525 2HG PRO 67 1HG PRO 67 8.626 17.454 3.689 526 1HD PRO 67 2HD PRO 67 6.759 19.631 4.219 527 2HD PRO 67 1HD PRO 67 7.614 19.231 2.716 528 H LYS 68 H LYS 68 2.945 16.601 4.051 529 HA LYS 68 HA LYS 68 2.709 18.425 6.324 530 1HB LYS 68 2HB LYS 68 0.744 17.252 4.387 531 2HB LYS 68 1HB LYS 68 0.193 17.973 5.893 532 1HG LYS 68 2HG LYS 68 0.528 20.059 5.154 533 2HG LYS 68 1HG LYS 68 2.078 19.650 4.419 534 1HD LYS 68 2HD LYS 68 -0.579 18.911 3.198 535 2HD LYS 68 1HD LYS 68 0.281 20.405 2.816 536 1HE LYS 68 2HE LYS 68 2.206 19.098 2.055 537 2HE LYS 68 1HE LYS 68 1.351 17.608 2.449 538 1HZ LYS 68 1HZ LYS 68 1.194 18.065 0.109 539 2HZ LYS 68 2HZ LYS 68 0.545 19.605 0.394 540 3HZ LYS 68 3HZ LYS 68 -0.340 18.219 0.804 541 H TYR 69 H TYR 69 1.468 15.164 5.490 542 HA TYR 69 HA TYR 69 1.401 14.601 8.386 543 1HB TYR 69 2HB TYR 69 0.098 13.054 6.136 544 2HB TYR 69 1HB TYR 69 -0.094 12.754 7.856 545 HD1 TYR 69 1HD TYR 69 -1.449 14.281 9.237 546 HD2 TYR 69 2HD TYR 69 -1.102 14.797 5.032 547 HE1 TYR 69 1HE TYR 69 -3.435 15.735 9.257 548 HE2 TYR 69 2HE TYR 69 -3.077 16.255 5.038 549 HH TYR 69 HH TYR 69 -5.080 16.605 6.424 550 H VAL 70 H VAL 70 2.167 13.085 5.275 551 HA VAL 70 HA VAL 70 3.659 10.964 6.494 552 HB VAL 70 HB VAL 70 2.462 10.800 4.293 553 1HG1 VAL 70 1HG1 VAL 70 4.820 12.380 3.283 554 2HG1 VAL 70 2HG1 VAL 70 3.138 12.910 3.316 555 3HG1 VAL 70 3HG1 VAL 70 3.621 11.571 2.275 556 1HG2 VAL 70 1HG2 VAL 70 4.069 9.113 4.996 557 2HG2 VAL 70 2HG2 VAL 70 5.382 10.048 4.278 558 3HG2 VAL 70 3HG2 VAL 70 4.128 9.352 3.250 559 H HIS 71 H HIS 71 5.922 10.564 6.240 560 HA HIS 71 HA HIS 71 7.549 12.992 5.863 561 1HB HIS 71 2HB HIS 71 8.115 10.786 7.864 562 2HB HIS 71 1HB HIS 71 9.044 12.265 7.642 563 HD1 HIS 71 1HD HIS 71 7.857 14.517 8.440 564 HD2 HIS 71 2HD HIS 71 5.954 10.987 9.552 565 HE1 HIS 71 1HE HIS 71 6.231 15.159 10.255 566 HE2 HIS 71 2HE HIS 71 5.073 13.011 10.895 567 H LYS 72 H LYS 72 9.856 12.460 5.338 568 HA LYS 72 HA LYS 72 10.042 10.837 3.075 569 1HB LYS 72 2HB LYS 72 11.558 12.729 3.678 570 2HB LYS 72 1HB LYS 72 12.292 11.710 4.902 571 1HG LYS 72 2HG LYS 72 12.261 10.767 2.078 572 2HG LYS 72 1HG LYS 72 13.405 12.020 2.556 573 1HD LYS 72 2HD LYS 72 14.144 10.498 4.410 574 2HD LYS 72 1HD LYS 72 13.145 9.238 3.684 575 1HE LYS 72 2HE LYS 72 14.434 9.406 1.614 576 2HE LYS 72 1HE LYS 72 15.421 10.681 2.327 577 1HZ LYS 72 1HZ LYS 72 15.259 7.850 3.219 578 2HZ LYS 72 2HZ LYS 72 16.116 9.068 4.040 579 3HZ LYS 72 3HZ LYS 72 16.585 8.610 2.481 580 H GLU 73 H GLU 73 10.827 10.177 6.440 581 HA GLU 73 HA GLU 73 12.012 7.658 6.185 582 1HB GLU 73 2HB GLU 73 10.204 8.559 8.434 583 2HB GLU 73 1HB GLU 73 11.475 7.350 8.517 584 1HG GLU 73 2HG GLU 73 13.168 8.986 8.308 585 2HG GLU 73 1HG GLU 73 11.999 10.237 7.887 586 H GLN 74 H GLN 74 8.623 8.604 6.497 587 HA GLN 74 HA GLN 74 7.581 6.001 6.803 588 1HB GLN 74 2HB GLN 74 6.258 8.569 5.923 589 2HB GLN 74 1HB GLN 74 5.393 7.082 6.272 590 1HG GLN 74 2HG GLN 74 7.029 8.696 8.210 591 2HG GLN 74 1HG GLN 74 5.271 8.567 8.159 592 1HE2 GLN 74 1HE2 GLN 74 4.292 6.615 8.798 593 2HE2 GLN 74 2HE2 GLN 74 5.134 5.468 9.777 594 H ILE 75 H ILE 75 8.135 8.030 3.979 595 HA ILE 75 HA ILE 75 6.607 6.611 2.118 596 HB ILE 75 HB ILE 75 9.168 8.168 1.699 597 1HG1 ILE 75 2HG1 ILE 75 7.293 9.484 2.611 598 2HG1 ILE 75 1HG1 ILE 75 7.676 9.972 0.964 599 1HG2 ILE 75 1HG2 ILE 75 8.527 8.285 -0.666 600 2HG2 ILE 75 2HG2 ILE 75 7.174 7.198 -0.347 601 3HG2 ILE 75 3HG2 ILE 75 8.831 6.625 -0.148 602 1HD1 ILE 75 1HD1 ILE 75 5.414 8.159 1.771 603 2HD1 ILE 75 2HD1 ILE 75 5.781 8.704 0.134 604 3HD1 ILE 75 3HD1 ILE 75 5.274 9.868 1.359 605 H GLU 76 H GLU 76 9.984 6.168 3.105 606 HA GLU 76 HA GLU 76 10.439 3.999 1.306 607 1HB GLU 76 2HB GLU 76 11.949 4.803 3.798 608 2HB GLU 76 1HB GLU 76 12.516 3.661 2.588 609 1HG GLU 76 2HG GLU 76 12.419 5.494 0.908 610 2HG GLU 76 1HG GLU 76 12.030 6.605 2.222 611 H ALA 77 H ALA 77 9.223 4.316 4.552 612 HA ALA 77 HA ALA 77 9.516 1.594 5.310 613 1HB ALA 77 1HB ALA 77 7.580 3.643 6.386 614 2HB ALA 77 2HB ALA 77 9.238 3.420 6.940 615 3HB ALA 77 3HB ALA 77 8.053 2.133 7.168 616 H VAL 78 H VAL 78 6.789 3.490 4.028 617 HA VAL 78 HA VAL 78 4.894 1.410 4.049 618 HB VAL 78 HB VAL 78 5.049 3.832 2.239 619 1HG1 VAL 78 1HG1 VAL 78 2.738 1.969 2.787 620 2HG1 VAL 78 2HG1 VAL 78 3.610 2.134 1.262 621 3HG1 VAL 78 3HG1 VAL 78 2.644 3.478 1.875 622 1HG2 VAL 78 1HG2 VAL 78 3.414 4.800 3.781 623 2HG2 VAL 78 2HG2 VAL 78 4.921 4.400 4.605 624 3HG2 VAL 78 3HG2 VAL 78 3.511 3.356 4.791 625 H LYS 79 H LYS 79 7.194 2.466 1.587 626 HA LYS 79 HA LYS 79 6.412 0.932 -0.572 627 1HB LYS 79 2HB LYS 79 8.124 2.491 -0.946 628 2HB LYS 79 1HB LYS 79 9.087 1.899 0.396 629 1HG LYS 79 2HG LYS 79 9.511 -0.179 -0.890 630 2HG LYS 79 1HG LYS 79 8.654 0.541 -2.255 631 1HD LYS 79 2HD LYS 79 10.276 2.240 -2.503 632 2HD LYS 79 1HD LYS 79 11.008 1.875 -0.938 633 1HE LYS 79 2HE LYS 79 10.956 -0.050 -3.252 634 2HE LYS 79 1HE LYS 79 12.286 1.060 -2.944 635 1HZ LYS 79 1HZ LYS 79 13.103 -0.303 -1.422 636 2HZ LYS 79 2HZ LYS 79 11.957 -1.462 -1.890 637 3HZ LYS 79 3HZ LYS 79 11.625 -0.413 -0.599 638 H ASP 80 H ASP 80 8.755 0.017 1.947 639 HA ASP 80 HA ASP 80 9.140 -2.582 0.857 640 1HB ASP 80 2HB ASP 80 10.115 -1.030 3.212 641 2HB ASP 80 1HB ASP 80 10.350 -2.761 3.182 642 H ASN 81 H ASN 81 7.337 -1.224 3.563 643 HA ASN 81 HA ASN 81 6.631 -3.695 4.744 644 1HB ASN 81 2HB ASN 81 5.575 -0.900 4.952 645 2HB ASN 81 1HB ASN 81 4.690 -2.227 5.699 646 1HD2 ASN 81 1HD2 ASN 81 6.172 0.078 6.845 647 2HD2 ASN 81 2HD2 ASN 81 7.312 -0.617 7.950 648 H PHE 82 H PHE 82 5.188 -1.772 2.187 649 HA PHE 82 HA PHE 82 2.697 -3.088 2.087 650 1HB PHE 82 2HB PHE 82 3.354 -0.895 0.961 651 2HB PHE 82 1HB PHE 82 4.129 -1.874 -0.278 652 HD1 PHE 82 1HD PHE 82 0.861 -1.422 1.436 653 HD2 PHE 82 2HD PHE 82 2.914 -2.556 -2.113 654 HE1 PHE 82 1HE PHE 82 -1.292 -1.623 0.262 655 HE2 PHE 82 2HE PHE 82 0.769 -2.758 -3.293 656 HZ PHE 82 HZ PHE 82 -1.339 -2.292 -2.108 657 H LEU 83 H LEU 83 5.817 -3.786 0.623 658 HA LEU 83 HA LEU 83 4.959 -5.855 -1.093 659 1HB LEU 83 2HB LEU 83 7.617 -5.179 0.134 660 2HB LEU 83 1HB LEU 83 7.410 -6.584 -0.892 661 HG LEU 83 HG LEU 83 6.828 -3.750 -1.758 662 1HD1 LEU 83 1HD1 LEU 83 9.213 -4.069 -1.329 663 2HD1 LEU 83 2HD1 LEU 83 8.891 -3.927 -3.056 664 3HD1 LEU 83 3HD1 LEU 83 9.207 -5.510 -2.346 665 1HD2 LEU 83 1HD2 LEU 83 6.998 -6.336 -3.297 666 2HD2 LEU 83 2HD2 LEU 83 6.758 -4.736 -3.994 667 3HD2 LEU 83 3HD2 LEU 83 5.525 -5.433 -2.944 668 H GLU 84 H GLU 84 6.377 -5.969 2.182 669 HA GLU 84 HA GLU 84 6.186 -8.756 2.489 670 1HB GLU 84 2HB GLU 84 6.123 -6.543 4.539 671 2HB GLU 84 1HB GLU 84 6.147 -8.248 4.965 672 1HG GLU 84 2HG GLU 84 8.282 -8.467 3.711 673 2HG GLU 84 1HG GLU 84 8.269 -6.716 3.486 674 H LEU 85 H LEU 85 3.921 -6.155 3.141 675 HA LEU 85 HA LEU 85 1.915 -7.473 4.497 676 1HB LEU 85 2HB LEU 85 2.150 -5.011 3.917 677 2HB LEU 85 1HB LEU 85 1.481 -5.400 2.349 678 HG LEU 85 HG LEU 85 -0.021 -5.964 4.899 679 1HD1 LEU 85 1HD1 LEU 85 -0.079 -3.459 3.219 680 2HD1 LEU 85 2HD1 LEU 85 0.550 -3.592 4.862 681 3HD1 LEU 85 3HD1 LEU 85 -1.171 -3.833 4.554 682 1HD2 LEU 85 1HD2 LEU 85 -0.919 -5.520 2.051 683 2HD2 LEU 85 2HD2 LEU 85 -1.965 -5.859 3.430 684 3HD2 LEU 85 3HD2 LEU 85 -0.823 -7.081 2.868 685 H VAL 86 H VAL 86 2.199 -7.050 0.965 686 HA VAL 86 HA VAL 86 -0.053 -8.563 0.264 687 HB VAL 86 HB VAL 86 2.474 -8.128 -1.348 688 1HG1 VAL 86 1HG1 VAL 86 1.156 -9.961 -2.250 689 2HG1 VAL 86 2HG1 VAL 86 1.056 -8.553 -3.307 690 3HG1 VAL 86 3HG1 VAL 86 -0.291 -8.951 -2.238 691 1HG2 VAL 86 1HG2 VAL 86 1.452 -6.028 -0.661 692 2HG2 VAL 86 2HG2 VAL 86 -0.108 -6.566 -1.282 693 3HG2 VAL 86 3HG2 VAL 86 1.233 -6.285 -2.392 694 H LEU 87 H LEU 87 3.342 -9.512 0.620 695 HA LEU 87 HA LEU 87 3.055 -12.141 -0.353 696 1HB LEU 87 2HB LEU 87 5.215 -11.020 -0.196 697 2HB LEU 87 1HB LEU 87 5.091 -10.987 1.553 698 HG LEU 87 HG LEU 87 5.150 -13.471 1.568 699 1HD1 LEU 87 1HD1 LEU 87 5.745 -13.152 -1.372 700 2HD1 LEU 87 2HD1 LEU 87 4.288 -13.867 -0.677 701 3HD1 LEU 87 3HD1 LEU 87 5.852 -14.653 -0.449 702 1HD2 LEU 87 1HD2 LEU 87 7.477 -12.121 0.204 703 2HD2 LEU 87 2HD2 LEU 87 7.535 -13.655 1.074 704 3HD2 LEU 87 3HD2 LEU 87 7.173 -12.162 1.942 705 H GLN 88 H GLN 88 3.138 -10.901 2.995 706 HA GLN 88 HA GLN 88 2.890 -13.513 4.125 707 1HB GLN 88 2HB GLN 88 2.732 -12.389 6.270 708 2HB GLN 88 1HB GLN 88 4.013 -11.670 5.306 709 1HG GLN 88 2HG GLN 88 2.404 -9.862 4.679 710 2HG GLN 88 1HG GLN 88 1.283 -10.541 5.858 711 1HE2 GLN 88 1HE2 GLN 88 3.479 -11.301 7.664 712 2HE2 GLN 88 2HE2 GLN 88 3.998 -9.834 8.410 713 H SER 89 H SER 89 0.637 -11.254 2.901 714 HA SER 89 HA SER 89 -1.629 -11.960 4.432 715 1HB SER 89 2HB SER 89 -1.466 -9.928 2.985 716 2HB SER 89 1HB SER 89 -1.553 -10.971 1.567 717 HG SER 89 HG SER 89 -3.540 -10.334 3.442 718 H TYR 90 H TYR 90 -0.233 -13.264 1.451 719 HA TYR 90 HA TYR 90 -2.423 -15.092 1.045 720 1HB TYR 90 2HB TYR 90 0.273 -14.941 -0.320 721 2HB TYR 90 1HB TYR 90 -1.065 -15.967 -0.826 722 HD1 TYR 90 1HD TYR 90 0.590 -13.246 -1.834 723 HD2 TYR 90 2HD TYR 90 -3.386 -14.317 -0.770 724 HE1 TYR 90 1HE TYR 90 -0.272 -11.411 -3.224 725 HE2 TYR 90 2HE TYR 90 -4.256 -12.486 -2.158 726 HH TYR 90 HH TYR 90 -3.454 -10.317 -3.055 727 H VAL 91 H VAL 91 0.986 -15.402 2.020 728 HA VAL 91 HA VAL 91 0.832 -18.248 2.223 729 HB VAL 91 HB VAL 91 3.088 -18.149 3.151 730 1HG1 VAL 91 1HG1 VAL 91 2.826 -18.035 0.750 731 2HG1 VAL 91 2HG1 VAL 91 4.188 -17.033 1.253 732 3HG1 VAL 91 3HG1 VAL 91 2.649 -16.281 0.827 733 1HG2 VAL 91 1HG2 VAL 91 2.743 -15.149 3.117 734 2HG2 VAL 91 2HG2 VAL 91 4.234 -16.018 3.484 735 3HG2 VAL 91 3HG2 VAL 91 2.843 -16.162 4.559 736 H HIS 92 H HIS 92 0.096 -15.665 4.368 737 HA HIS 92 HA HIS 92 -0.506 -15.541 6.557 738 1HB HIS 92 2HB HIS 92 -1.177 -18.465 6.135 739 2HB HIS 92 1HB HIS 92 -1.701 -17.495 7.505 740 HD1 HIS 92 1HD HIS 92 -3.031 -18.780 4.555 741 HD2 HIS 92 2HD HIS 92 -3.113 -15.004 6.287 742 HE1 HIS 92 1HE HIS 92 -5.033 -17.621 3.562 743 HE2 HIS 92 2HE HIS 92 -5.186 -15.425 4.783 744 H HIS 93 H HIS 93 2.026 -15.478 6.492 745 HA HIS 93 HA HIS 93 3.425 -17.703 7.622 746 1HB HIS 93 2HB HIS 93 4.408 -15.987 6.062 747 2HB HIS 93 1HB HIS 93 4.348 -14.832 7.385 748 HD1 HIS 93 1HD HIS 93 6.155 -17.938 6.255 749 HD2 HIS 93 2HD HIS 93 6.405 -15.040 9.231 750 HE1 HIS 93 1HE HIS 93 8.404 -18.264 7.338 751 HE2 HIS 93 2HE HIS 93 8.619 -16.337 8.954 752 H ILE 94 H ILE 94 1.476 -15.305 8.930 753 HA ILE 94 HA ILE 94 2.500 -15.870 11.621 754 HB ILE 94 HB ILE 94 1.818 -13.511 12.249 755 1HG1 ILE 94 2HG1 ILE 94 1.922 -13.171 9.244 756 2HG1 ILE 94 1HG1 ILE 94 0.498 -12.988 10.265 757 1HG2 ILE 94 1HG2 ILE 94 4.143 -14.164 12.118 758 2HG2 ILE 94 2HG2 ILE 94 3.940 -12.529 11.491 759 3HG2 ILE 94 3HG2 ILE 94 4.150 -13.879 10.377 760 1HD1 ILE 94 1HD1 ILE 94 1.559 -11.076 11.367 761 2HD1 ILE 94 2HD1 ILE 94 1.380 -10.837 9.629 762 3HD1 ILE 94 3HD1 ILE 94 2.956 -11.253 10.303 763 H HIS 95 H HIS 95 0.705 -14.797 13.214 764 HA HIS 95 HA HIS 95 -1.650 -16.347 12.623 765 1HB HIS 95 2HB HIS 95 -0.718 -14.831 15.039 766 2HB HIS 95 1HB HIS 95 -2.380 -15.399 14.925 767 HD1 HIS 95 1HD HIS 95 -0.277 -16.464 17.027 768 HD2 HIS 95 2HD HIS 95 -1.305 -18.323 13.452 769 HE1 HIS 95 1HE HIS 95 0.233 -18.905 17.358 770 HE2 HIS 95 2HE HIS 95 -0.231 -19.979 15.124 771 H LYS 96 H LYS 96 -1.364 -12.943 13.773 772 HA LYS 96 HA LYS 96 -3.273 -12.067 11.812 773 1HB LYS 96 2HB LYS 96 -4.706 -13.311 13.419 774 2HB LYS 96 1HB LYS 96 -4.193 -12.204 14.685 775 1HG LYS 96 2HG LYS 96 -5.154 -10.336 13.346 776 2HG LYS 96 1HG LYS 96 -5.791 -11.540 12.223 777 1HD LYS 96 2HD LYS 96 -6.448 -11.296 15.158 778 2HD LYS 96 1HD LYS 96 -7.507 -10.881 13.809 779 1HE LYS 96 2HE LYS 96 -7.531 -13.214 13.099 780 2HE LYS 96 1HE LYS 96 -6.437 -13.639 14.416 781 1HZ LYS 96 1HZ LYS 96 -9.181 -12.546 14.714 782 2HZ LYS 96 2HZ LYS 96 -8.133 -12.929 15.993 783 3HZ LYS 96 3HZ LYS 96 -8.721 -14.155 14.983 784 H LYS 97 H LYS 97 -2.212 -11.247 15.133 785 HA LYS 97 HA LYS 97 -2.819 -8.557 15.010 786 1HB LYS 97 2HB LYS 97 -2.317 -9.690 17.108 787 2HB LYS 97 1HB LYS 97 -0.631 -9.858 16.635 788 1HG LYS 97 2HG LYS 97 -0.434 -7.399 16.577 789 2HG LYS 97 1HG LYS 97 -2.098 -7.278 17.150 790 1HD LYS 97 2HD LYS 97 -1.502 -8.419 19.205 791 2HD LYS 97 1HD LYS 97 0.152 -8.642 18.627 792 1HE LYS 97 2HE LYS 97 0.443 -6.213 18.542 793 2HE LYS 97 1HE LYS 97 -1.205 -5.997 19.135 794 1HZ LYS 97 1HZ LYS 97 -0.582 -7.140 21.169 795 2HZ LYS 97 2HZ LYS 97 0.404 -5.785 20.917 796 3HZ LYS 97 3HZ LYS 97 1.002 -7.338 20.602 797 H ARG 98 H ARG 98 0.328 -10.062 14.241 798 HA ARG 98 HA ARG 98 1.721 -7.634 13.960 799 1HB ARG 98 2HB ARG 98 2.299 -10.249 12.558 800 2HB ARG 98 1HB ARG 98 3.418 -8.906 12.741 801 1HG ARG 98 2HG ARG 98 3.240 -9.210 15.220 802 2HG ARG 98 1HG ARG 98 2.324 -10.686 14.907 803 1HD ARG 98 2HD ARG 98 4.536 -11.409 15.217 804 2HD ARG 98 1HD ARG 98 4.305 -11.411 13.470 805 HE ARG 98 HE ARG 98 5.668 -9.206 14.887 806 1HH1 ARG 98 1HH1 ARG 98 5.510 -11.519 12.255 807 2HH1 ARG 98 2HH1 ARG 98 6.963 -10.957 11.503 808 1HH2 ARG 98 1HH2 ARG 98 7.606 -8.486 13.915 809 2HH2 ARG 98 2HH2 ARG 98 8.158 -9.226 12.436 810 H PHE 99 H PHE 99 -0.091 -9.556 11.615 811 HA PHE 99 HA PHE 99 0.598 -7.978 9.351 812 1HB PHE 99 2HB PHE 99 -0.217 -10.253 9.065 813 2HB PHE 99 1HB PHE 99 -1.742 -9.839 9.838 814 HD1 PHE 99 1HD PHE 99 -3.497 -8.798 8.621 815 HD2 PHE 99 2HD PHE 99 0.321 -9.356 6.824 816 HE1 PHE 99 1HE PHE 99 -4.449 -8.224 6.427 817 HE2 PHE 99 2HE PHE 99 -0.626 -8.782 4.628 818 HZ PHE 99 HZ PHE 99 -3.015 -8.215 4.427 819 H LYS 100 H LYS 100 -2.136 -8.042 11.561 820 HA LYS 100 HA LYS 100 -3.737 -6.111 10.338 821 1HB LYS 100 2HB LYS 100 -4.458 -7.649 12.137 822 2HB LYS 100 1HB LYS 100 -3.456 -6.780 13.280 823 1HG LYS 100 2HG LYS 100 -5.602 -5.329 11.799 824 2HG LYS 100 1HG LYS 100 -6.016 -6.348 13.179 825 1HD LYS 100 2HD LYS 100 -4.132 -5.024 14.385 826 2HD LYS 100 1HD LYS 100 -4.366 -3.853 13.087 827 1HE LYS 100 2HE LYS 100 -6.536 -4.868 14.916 828 2HE LYS 100 1HE LYS 100 -5.685 -3.338 15.113 829 1HZ LYS 100 1HZ LYS 100 -7.837 -3.082 14.025 830 2HZ LYS 100 2HZ LYS 100 -7.331 -4.074 12.745 831 3HZ LYS 100 3HZ LYS 100 -6.568 -2.580 13.019 832 H ASP 101 H ASP 101 -1.292 -5.766 12.875 833 HA ASP 101 HA ASP 101 -1.492 -2.999 13.233 834 1HB ASP 101 2HB ASP 101 -0.238 -4.433 14.768 835 2HB ASP 101 1HB ASP 101 0.950 -4.762 13.513 836 H ILE 102 H ILE 102 0.749 -4.828 11.167 837 HA ILE 102 HA ILE 102 2.054 -2.633 10.049 838 HB ILE 102 HB ILE 102 1.524 -5.349 8.851 839 1HG1 ILE 102 2HG1 ILE 102 3.987 -4.202 10.183 840 2HG1 ILE 102 1HG1 ILE 102 2.853 -5.318 10.936 841 1HG2 ILE 102 1HG2 ILE 102 1.979 -3.754 7.071 842 2HG2 ILE 102 2HG2 ILE 102 3.334 -4.861 7.280 843 3HG2 ILE 102 3HG2 ILE 102 3.439 -3.215 7.904 844 1HD1 ILE 102 1HD1 ILE 102 3.409 -6.992 9.227 845 2HD1 ILE 102 2HD1 ILE 102 4.801 -6.505 10.195 846 3HD1 ILE 102 3HD1 ILE 102 4.603 -5.881 8.558 847 H THR 103 H THR 103 -0.769 -4.433 8.808 848 HA THR 103 HA THR 103 -1.027 -2.981 6.423 849 HB THR 103 HB THR 103 -3.259 -4.331 7.956 850 HG1 THR 103 1HG THR 103 -1.625 -5.829 7.640 851 1HG2 THR 103 1HG2 THR 103 -4.108 -2.990 6.135 852 2HG2 THR 103 2HG2 THR 103 -4.180 -4.690 5.667 853 3HG2 THR 103 3HG2 THR 103 -2.904 -3.655 5.033 854 H GLU 104 H GLU 104 -2.472 -2.480 9.608 855 HA GLU 104 HA GLU 104 -4.167 -0.351 8.869 856 1HB GLU 104 2HB GLU 104 -4.262 -1.810 10.946 857 2HB GLU 104 1HB GLU 104 -2.944 -0.836 11.578 858 1HG GLU 104 2HG GLU 104 -4.257 1.109 11.583 859 2HG GLU 104 1HG GLU 104 -5.547 0.332 10.672 860 H SER 105 H SER 105 -0.910 -0.494 10.237 861 HA SER 105 HA SER 105 -0.472 2.270 10.469 862 1HB SER 105 2HB SER 105 1.564 0.110 9.868 863 2HB SER 105 1HB SER 105 1.913 1.715 10.508 864 HG SER 105 HG SER 105 0.514 -0.415 11.758 865 H VAL 106 H VAL 106 -0.008 0.061 7.736 866 HA VAL 106 HA VAL 106 1.142 1.968 5.987 867 HB VAL 106 HB VAL 106 -0.423 -0.539 5.349 868 1HG1 VAL 106 1HG1 VAL 106 1.268 1.182 3.540 869 2HG1 VAL 106 2HG1 VAL 106 -0.479 0.959 3.443 870 3HG1 VAL 106 3HG1 VAL 106 0.602 -0.397 3.119 871 1HG2 VAL 106 1HG2 VAL 106 1.780 -1.520 4.941 872 2HG2 VAL 106 2HG2 VAL 106 1.626 -0.948 6.603 873 3HG2 VAL 106 3HG2 VAL 106 2.545 -0.005 5.426 874 H LEU 107 H LEU 107 -2.217 0.800 6.300 875 HA LEU 107 HA LEU 107 -3.382 2.463 4.388 876 1HB LEU 107 2HB LEU 107 -4.471 1.266 6.925 877 2HB LEU 107 1HB LEU 107 -5.471 2.211 5.838 878 HG LEU 107 HG LEU 107 -4.022 -0.324 5.071 879 1HD1 LEU 107 1HD1 LEU 107 -6.251 -1.340 5.064 880 2HD1 LEU 107 2HD1 LEU 107 -6.931 0.158 5.698 881 3HD1 LEU 107 3HD1 LEU 107 -5.797 -0.774 6.672 882 1HD2 LEU 107 1HD2 LEU 107 -4.344 1.199 3.205 883 2HD2 LEU 107 2HD2 LEU 107 -6.055 1.352 3.606 884 3HD2 LEU 107 3HD2 LEU 107 -5.412 -0.196 3.058 885 H TYR 108 H TYR 108 -2.872 3.013 7.846 886 HA TYR 108 HA TYR 108 -4.088 5.494 8.115 887 1HB TYR 108 2HB TYR 108 -3.087 4.008 9.921 888 2HB TYR 108 1HB TYR 108 -1.521 4.680 9.489 889 HD1 TYR 108 1HD TYR 108 -0.951 6.973 10.068 890 HD2 TYR 108 2HD TYR 108 -4.751 5.346 11.069 891 HE1 TYR 108 1HE TYR 108 -1.332 8.837 11.624 892 HE2 TYR 108 2HE TYR 108 -5.148 7.209 12.623 893 HH TYR 108 HH TYR 108 -3.728 8.817 13.954 894 H THR 109 H THR 109 -0.804 4.706 7.062 895 HA THR 109 HA THR 109 0.010 7.435 6.826 896 HB THR 109 HB THR 109 1.301 5.002 5.581 897 HG1 THR 109 1HG THR 109 1.188 4.656 7.795 898 1HG2 THR 109 1HG2 THR 109 2.124 7.135 4.702 899 2HG2 THR 109 2HG2 THR 109 3.350 6.350 5.696 900 3HG2 THR 109 3HG2 THR 109 2.424 7.702 6.344 901 H LEU 110 H LEU 110 -1.277 5.005 4.605 902 HA LEU 110 HA LEU 110 -0.827 6.415 2.210 903 1HB LEU 110 2HB LEU 110 -2.939 4.390 2.942 904 2HB LEU 110 1HB LEU 110 -2.719 5.016 1.318 905 HG LEU 110 HG LEU 110 -0.676 3.437 2.887 906 1HD1 LEU 110 1HD1 LEU 110 -2.385 2.685 0.523 907 2HD1 LEU 110 2HD1 LEU 110 -2.542 2.062 2.166 908 3HD1 LEU 110 3HD1 LEU 110 -1.101 1.694 1.216 909 1HD2 LEU 110 1HD2 LEU 110 -0.606 4.455 0.048 910 2HD2 LEU 110 2HD2 LEU 110 0.605 3.424 0.809 911 3HD2 LEU 110 3HD2 LEU 110 0.359 5.072 1.388 912 H HIS 111 H HIS 111 -3.576 6.419 4.458 913 HA HIS 111 HA HIS 111 -5.140 8.243 2.939 914 1HB HIS 111 2HB HIS 111 -5.218 7.406 5.832 915 2HB HIS 111 1HB HIS 111 -6.290 8.655 5.209 916 HD1 HIS 111 1HD HIS 111 -8.368 7.894 3.994 917 HD2 HIS 111 2HD HIS 111 -5.654 4.802 4.636 918 HE1 HIS 111 1HE HIS 111 -9.567 5.787 3.338 919 HE2 HIS 111 2HE HIS 111 -7.995 3.921 3.967 920 H ALA 112 H ALA 112 -2.585 8.616 5.284 921 HA ALA 112 HA ALA 112 -2.878 11.360 5.837 922 1HB ALA 112 1HB ALA 112 -0.346 9.721 5.746 923 2HB ALA 112 2HB ALA 112 -1.424 9.874 7.133 924 3HB ALA 112 3HB ALA 112 -0.548 11.284 6.540 925 H VAL 113 H VAL 113 -0.947 9.667 3.387 926 HA VAL 113 HA VAL 113 0.133 11.974 2.177 927 HB VAL 113 HB VAL 113 -0.409 9.296 0.868 928 1HG1 VAL 113 1HG1 VAL 113 1.471 9.922 -0.603 929 2HG1 VAL 113 2HG1 VAL 113 1.515 11.510 0.165 930 3HG1 VAL 113 3HG1 VAL 113 0.093 11.015 -0.754 931 1HG2 VAL 113 1HG2 VAL 113 1.886 8.714 1.479 932 2HG2 VAL 113 2HG2 VAL 113 0.905 9.025 2.911 933 3HG2 VAL 113 3HG2 VAL 113 2.050 10.241 2.343 934 H LYS 114 H LYS 114 -2.680 9.980 1.396 935 HA LYS 114 HA LYS 114 -3.529 11.288 -0.902 936 1HB LYS 114 2HB LYS 114 -4.484 9.176 -0.265 937 2HB LYS 114 1HB LYS 114 -5.111 9.854 1.229 938 1HG LYS 114 2HG LYS 114 -6.641 11.263 -0.029 939 2HG LYS 114 1HG LYS 114 -5.984 10.644 -1.544 940 1HD LYS 114 2HD LYS 114 -6.779 8.414 -1.009 941 2HD LYS 114 1HD LYS 114 -7.367 8.981 0.558 942 1HE LYS 114 2HE LYS 114 -8.977 10.417 -0.500 943 2HE LYS 114 1HE LYS 114 -8.311 10.060 -2.093 944 1HZ LYS 114 1HZ LYS 114 -9.025 7.787 -1.873 945 2HZ LYS 114 2HZ LYS 114 -10.347 8.828 -1.641 946 3HZ LYS 114 3HZ LYS 114 -9.610 8.078 -0.305 947 H ASP 115 H ASP 115 -4.372 11.928 2.486 948 HA ASP 115 HA ASP 115 -6.342 13.856 1.981 949 1HB ASP 115 2HB ASP 115 -6.021 12.778 4.190 950 2HB ASP 115 1HB ASP 115 -4.539 13.706 4.405 951 H GLU 116 H GLU 116 -2.857 14.251 2.578 952 HA GLU 116 HA GLU 116 -3.041 17.095 2.503 953 1HB GLU 116 2HB GLU 116 -0.588 17.083 2.545 954 2HB GLU 116 1HB GLU 116 -1.296 16.084 3.797 955 1HG GLU 116 2HG GLU 116 -0.801 14.088 2.469 956 2HG GLU 116 1HG GLU 116 -0.050 15.112 1.244 957 H ILE 117 H ILE 117 -2.511 14.651 0.077 958 HA ILE 117 HA ILE 117 -1.657 16.401 -1.991 959 HB ILE 117 HB ILE 117 -3.175 13.791 -2.173 960 1HG1 ILE 117 2HG1 ILE 117 -0.258 14.427 -2.663 961 2HG1 ILE 117 1HG1 ILE 117 -0.898 13.665 -1.210 962 1HG2 ILE 117 1HG2 ILE 117 -1.858 15.380 -4.374 963 2HG2 ILE 117 2HG2 ILE 117 -3.589 15.098 -4.172 964 3HG2 ILE 117 3HG2 ILE 117 -2.513 13.749 -4.536 965 1HD1 ILE 117 1HD1 ILE 117 -0.964 12.529 -4.000 966 2HD1 ILE 117 2HD1 ILE 117 -1.686 11.774 -2.580 967 3HD1 ILE 117 3HD1 ILE 117 0.061 11.999 -2.665 968 H ALA 118 H ALA 118 -4.887 15.114 -1.180 969 HA ALA 118 HA ALA 118 -6.283 16.688 -3.075 970 1HB ALA 118 1HB ALA 118 -7.212 14.647 -2.107 971 2HB ALA 118 2HB ALA 118 -8.294 16.018 -1.857 972 3HB ALA 118 3HB ALA 118 -7.296 15.426 -0.527 973 H ARG 119 H ARG 119 -5.278 17.216 0.217 974 HA ARG 119 HA ARG 119 -6.771 19.525 0.803 975 1HB ARG 119 2HB ARG 119 -5.501 18.166 2.448 976 2HB ARG 119 1HB ARG 119 -4.003 18.773 1.764 977 1HG ARG 119 2HG ARG 119 -4.395 20.941 2.568 978 2HG ARG 119 1HG ARG 119 -6.089 20.586 2.926 979 1HD ARG 119 2HD ARG 119 -3.677 19.410 4.301 980 2HD ARG 119 1HD ARG 119 -4.794 20.598 4.976 981 HE ARG 119 HE ARG 119 -5.297 17.744 4.569 982 1HH1 ARG 119 1HH1 ARG 119 -6.482 20.871 5.604 983 2HH1 ARG 119 2HH1 ARG 119 -7.906 20.228 6.365 984 1HH2 ARG 119 1HH2 ARG 119 -7.148 16.889 5.558 985 2HH2 ARG 119 2HH2 ARG 119 -8.296 17.958 6.320 986 H GLU 120 H GLU 120 -3.790 19.012 -0.946 987 HA GLU 120 HA GLU 120 -3.075 21.758 -1.162 988 1HB GLU 120 2HB GLU 120 -1.731 19.480 -1.551 989 2HB GLU 120 1HB GLU 120 -2.192 19.814 -3.213 990 1HG GLU 120 2HG GLU 120 -0.047 20.749 -2.862 991 2HG GLU 120 1HG GLU 120 -1.197 22.083 -2.948 992 H ASP 121 H ASP 121 -4.490 19.427 -3.471 993 HA ASP 121 HA ASP 121 -5.958 21.614 -4.729 994 1HB ASP 121 2HB ASP 121 -3.951 21.604 -6.054 995 2HB ASP 121 1HB ASP 121 -4.001 19.851 -6.212 996 H SER 122 H SER 122 -7.924 21.027 -5.445 997 HA SER 122 HA SER 122 -8.454 18.322 -6.328 998 1HB SER 122 2HB SER 122 -9.894 19.488 -3.937 999 2HB SER 122 1HB SER 122 -10.459 18.081 -4.837 1000 HG SER 122 HG SER 122 -7.828 17.944 -4.047 1001 H ARG 123 H ARG 123 -8.657 21.412 -7.015 1002 HA ARG 123 HA ARG 123 -11.198 21.132 -8.424 1003 1HB ARG 123 2HB ARG 123 -11.743 22.275 -6.311 1004 2HB ARG 123 1HB ARG 123 -10.555 23.517 -6.676 1005 1HG ARG 123 2HG ARG 123 -12.778 24.315 -7.169 1006 2HG ARG 123 1HG ARG 123 -11.855 24.150 -8.664 1007 1HD ARG 123 2HD ARG 123 -14.071 23.295 -9.024 1008 2HD ARG 123 1HD ARG 123 -12.936 21.947 -9.027 1009 HE ARG 123 HE ARG 123 -14.584 22.629 -6.675 1010 1HH1 ARG 123 1HH1 ARG 123 -13.262 20.286 -8.922 1011 2HH1 ARG 123 2HH1 ARG 123 -13.960 18.918 -8.104 1012 1HH2 ARG 123 1HH2 ARG 123 -15.531 20.854 -5.617 1013 2HH2 ARG 123 2HH2 ARG 123 -15.279 19.245 -6.236 Start of MODEL 10 1 1H MET 1 1HT MET 1 -14.319 15.707 -7.556 2 2H MET 1 2HT MET 1 -14.262 15.279 -5.914 3 3H MET 1 3HT MET 1 -13.183 14.575 -7.017 4 HA MET 1 HA MET 1 -13.270 17.461 -6.374 5 1HB MET 1 2HB MET 1 -11.394 15.289 -5.407 6 2HB MET 1 1HB MET 1 -11.107 17.010 -5.199 7 1HG MET 1 2HG MET 1 -13.142 17.192 -3.868 8 2HG MET 1 1HG MET 1 -13.434 15.468 -4.077 9 1HE MET 1 1HE MET 1 -9.907 17.251 -1.686 10 2HE MET 1 2HE MET 1 -11.157 18.210 -2.481 11 3HE MET 1 3HE MET 1 -9.989 17.308 -3.447 12 H LEU 2 H LEU 2 -10.785 18.178 -6.872 13 HA LEU 2 HA LEU 2 -10.590 18.089 -9.677 14 1HB LEU 2 2HB LEU 2 -9.656 19.884 -8.213 15 2HB LEU 2 1HB LEU 2 -8.387 18.773 -7.731 16 HG LEU 2 HG LEU 2 -7.631 18.649 -10.087 17 1HD1 LEU 2 1HD1 LEU 2 -9.703 20.797 -10.522 18 2HD1 LEU 2 2HD1 LEU 2 -9.743 19.161 -11.180 19 3HD1 LEU 2 3HD1 LEU 2 -8.486 20.288 -11.695 20 1HD2 LEU 2 1HD2 LEU 2 -7.791 21.445 -8.968 21 2HD2 LEU 2 2HD2 LEU 2 -6.632 20.868 -10.166 22 3HD2 LEU 2 3HD2 LEU 2 -6.599 20.225 -8.525 23 H SER 3 H SER 3 -9.490 16.807 -11.046 24 HA SER 3 HA SER 3 -8.592 14.276 -10.011 25 1HB SER 3 2HB SER 3 -8.627 15.249 -12.876 26 2HB SER 3 1HB SER 3 -8.519 13.575 -12.322 27 HG SER 3 HG SER 3 -10.640 14.563 -11.164 28 H GLN 4 H GLN 4 -6.641 14.222 -9.139 29 HA GLN 4 HA GLN 4 -4.401 15.462 -10.609 30 1HB GLN 4 2HB GLN 4 -5.012 16.084 -8.117 31 2HB GLN 4 1HB GLN 4 -4.200 14.571 -7.752 32 1HG GLN 4 2HG GLN 4 -2.941 16.817 -9.297 33 2HG GLN 4 1HG GLN 4 -2.785 16.609 -7.556 34 1HE2 GLN 4 1HE2 GLN 4 -1.520 14.946 -6.761 35 2HE2 GLN 4 2HE2 GLN 4 -0.402 14.076 -7.749 36 H THR 5 H THR 5 -3.605 13.926 -11.885 37 HA THR 5 HA THR 5 -3.992 11.174 -11.527 38 HB THR 5 HB THR 5 -1.853 12.428 -13.254 39 HG1 THR 5 1HG THR 5 -3.463 13.309 -14.315 40 1HG2 THR 5 1HG2 THR 5 -2.250 10.481 -14.683 41 2HG2 THR 5 2HG2 THR 5 -3.471 9.891 -13.557 42 3HG2 THR 5 3HG2 THR 5 -1.782 9.975 -13.061 43 H LEU 6 H LEU 6 -3.280 10.485 -9.575 44 HA LEU 6 HA LEU 6 -0.757 9.484 -9.154 45 1HB LEU 6 2HB LEU 6 0.012 11.849 -9.141 46 2HB LEU 6 1HB LEU 6 -1.067 12.174 -7.800 47 HG LEU 6 HG LEU 6 0.223 10.509 -6.444 48 1HD1 LEU 6 1HD1 LEU 6 2.087 10.606 -8.810 49 2HD1 LEU 6 2HD1 LEU 6 1.179 9.203 -8.242 50 3HD1 LEU 6 3HD1 LEU 6 2.461 9.889 -7.242 51 1HD2 LEU 6 1HD2 LEU 6 2.112 11.999 -6.037 52 2HD2 LEU 6 2HD2 LEU 6 0.615 12.908 -6.243 53 3HD2 LEU 6 3HD2 LEU 6 1.789 12.833 -7.556 54 H LEU 7 H LEU 7 -3.522 11.101 -7.752 55 HA LEU 7 HA LEU 7 -3.395 10.022 -5.155 56 1HB LEU 7 2HB LEU 7 -4.785 11.951 -5.793 57 2HB LEU 7 1HB LEU 7 -5.806 10.899 -6.752 58 HG LEU 7 HG LEU 7 -6.462 9.699 -4.684 59 1HD1 LEU 7 1HD1 LEU 7 -5.926 10.680 -2.514 60 2HD1 LEU 7 2HD1 LEU 7 -4.888 11.868 -3.304 61 3HD1 LEU 7 3HD1 LEU 7 -4.468 10.156 -3.359 62 1HD2 LEU 7 1HD2 LEU 7 -7.881 11.461 -5.533 63 2HD2 LEU 7 2HD2 LEU 7 -6.919 12.679 -4.698 64 3HD2 LEU 7 3HD2 LEU 7 -7.863 11.515 -3.770 65 H GLU 8 H GLU 8 -4.756 8.864 -8.146 66 HA GLU 8 HA GLU 8 -6.389 6.804 -7.177 67 1HB GLU 8 2HB GLU 8 -4.875 6.947 -9.796 68 2HB GLU 8 1HB GLU 8 -6.247 5.913 -9.456 69 1HG GLU 8 2HG GLU 8 -7.010 7.747 -10.760 70 2HG GLU 8 1HG GLU 8 -7.636 7.939 -9.126 71 H MET 9 H MET 9 -2.940 6.965 -7.757 72 HA MET 9 HA MET 9 -2.449 4.164 -7.677 73 1HB MET 9 2HB MET 9 -0.853 5.766 -8.635 74 2HB MET 9 1HB MET 9 -0.601 6.473 -7.047 75 1HG MET 9 2HG MET 9 0.377 4.414 -6.246 76 2HG MET 9 1HG MET 9 0.040 3.628 -7.789 77 1HE MET 9 1HE MET 9 2.093 6.474 -5.993 78 2HE MET 9 2HE MET 9 1.259 7.323 -7.291 79 3HE MET 9 3HE MET 9 3.012 7.142 -7.344 80 H THR 10 H THR 10 -2.378 6.738 -5.250 81 HA THR 10 HA THR 10 -1.648 5.119 -3.053 82 HB THR 10 HB THR 10 -3.292 7.659 -3.049 83 HG1 THR 10 1HG THR 10 -1.417 8.727 -3.152 84 1HG2 THR 10 1HG2 THR 10 -3.391 6.471 -0.920 85 2HG2 THR 10 2HG2 THR 10 -2.431 7.941 -0.767 86 3HG2 THR 10 3HG2 THR 10 -1.633 6.373 -0.877 87 H GLU 11 H GLU 11 -4.782 6.121 -4.384 88 HA GLU 11 HA GLU 11 -6.401 4.863 -2.454 89 1HB GLU 11 2HB GLU 11 -6.951 5.591 -5.335 90 2HB GLU 11 1HB GLU 11 -8.185 5.033 -4.218 91 1HG GLU 11 2HG GLU 11 -7.582 6.963 -2.737 92 2HG GLU 11 1HG GLU 11 -6.557 7.551 -4.043 93 H GLN 12 H GLN 12 -4.976 3.700 -5.459 94 HA GLN 12 HA GLN 12 -6.229 1.196 -5.592 95 1HB GLN 12 2HB GLN 12 -4.895 2.105 -7.429 96 2HB GLN 12 1HB GLN 12 -3.441 1.993 -6.449 97 1HG GLN 12 2HG GLN 12 -3.462 0.174 -7.982 98 2HG GLN 12 1HG GLN 12 -3.743 -0.465 -6.367 99 1HE2 GLN 12 1HE2 GLN 12 -4.719 -2.317 -7.103 100 2HE2 GLN 12 2HE2 GLN 12 -6.287 -2.330 -7.822 101 H MET 13 H MET 13 -3.245 2.215 -3.960 102 HA MET 13 HA MET 13 -2.568 -0.332 -2.944 103 1HB MET 13 2HB MET 13 -0.974 1.557 -3.079 104 2HB MET 13 1HB MET 13 -1.867 2.386 -1.810 105 1HG MET 13 2HG MET 13 -1.329 0.635 -0.237 106 2HG MET 13 1HG MET 13 -0.525 -0.290 -1.505 107 1HE MET 13 1HE MET 13 1.012 2.028 -3.104 108 2HE MET 13 2HE MET 13 1.727 0.470 -2.689 109 3HE MET 13 3HE MET 13 2.582 1.963 -2.301 110 H ILE 14 H ILE 14 -4.539 2.308 -1.680 111 HA ILE 14 HA ILE 14 -5.036 1.327 0.889 112 HB ILE 14 HB ILE 14 -6.860 2.895 -0.940 113 1HG1 ILE 14 2HG1 ILE 14 -5.094 3.784 1.347 114 2HG1 ILE 14 1HG1 ILE 14 -4.742 4.014 -0.362 115 1HG2 ILE 14 1HG2 ILE 14 -8.199 1.790 0.754 116 2HG2 ILE 14 2HG2 ILE 14 -8.109 3.520 1.080 117 3HG2 ILE 14 3HG2 ILE 14 -7.132 2.395 2.025 118 1HD1 ILE 14 1HD1 ILE 14 -6.745 5.425 -0.561 119 2HD1 ILE 14 2HD1 ILE 14 -5.580 6.056 0.602 120 3HD1 ILE 14 3HD1 ILE 14 -7.030 5.231 1.171 121 H GLU 15 H GLU 15 -6.846 0.821 -2.113 122 HA GLU 15 HA GLU 15 -8.860 -0.823 -1.092 123 1HB GLU 15 2HB GLU 15 -8.927 0.280 -3.290 124 2HB GLU 15 1HB GLU 15 -7.679 -0.817 -3.866 125 1HG GLU 15 2HG GLU 15 -9.730 -1.637 -4.648 126 2HG GLU 15 1HG GLU 15 -9.228 -2.707 -3.352 127 H VAL 16 H VAL 16 -5.808 -1.747 -2.678 128 HA VAL 16 HA VAL 16 -6.254 -4.521 -2.575 129 HB VAL 16 HB VAL 16 -3.623 -3.023 -2.598 130 1HG1 VAL 16 1HG1 VAL 16 -3.300 -5.320 -1.850 131 2HG1 VAL 16 2HG1 VAL 16 -2.646 -5.093 -3.473 132 3HG1 VAL 16 3HG1 VAL 16 -4.191 -5.914 -3.252 133 1HG2 VAL 16 1HG2 VAL 16 -5.270 -4.181 -4.843 134 2HG2 VAL 16 2HG2 VAL 16 -3.653 -3.499 -5.015 135 3HG2 VAL 16 3HG2 VAL 16 -4.996 -2.471 -4.512 136 H ALA 17 H ALA 17 -4.602 -2.349 -0.302 137 HA ALA 17 HA ALA 17 -3.761 -4.381 1.476 138 1HB ALA 17 1HB ALA 17 -4.284 -1.468 2.052 139 2HB ALA 17 2HB ALA 17 -2.764 -2.152 1.471 140 3HB ALA 17 3HB ALA 17 -3.371 -2.582 3.071 141 H GLU 18 H GLU 18 -6.633 -2.280 1.446 142 HA GLU 18 HA GLU 18 -7.651 -3.268 3.897 143 1HB GLU 18 2HB GLU 18 -8.577 -1.464 1.761 144 2HB GLU 18 1HB GLU 18 -9.841 -2.248 2.690 145 1HG GLU 18 2HG GLU 18 -8.533 -1.458 4.751 146 2HG GLU 18 1HG GLU 18 -7.698 -0.385 3.631 147 H LYS 19 H LYS 19 -8.178 -4.185 0.528 148 HA LYS 19 HA LYS 19 -10.230 -6.066 1.239 149 1HB LYS 19 2HB LYS 19 -8.931 -5.204 -1.274 150 2HB LYS 19 1HB LYS 19 -9.582 -6.840 -1.256 151 1HG LYS 19 2HG LYS 19 -11.749 -5.959 -0.531 152 2HG LYS 19 1HG LYS 19 -11.092 -4.325 -0.580 153 1HD LYS 19 2HD LYS 19 -10.752 -4.493 -2.963 154 2HD LYS 19 1HD LYS 19 -11.272 -6.181 -2.949 155 1HE LYS 19 2HE LYS 19 -13.060 -4.678 -3.704 156 2HE LYS 19 1HE LYS 19 -13.487 -5.520 -2.217 157 1HZ LYS 19 1HZ LYS 19 -12.760 -3.480 -1.005 158 2HZ LYS 19 2HZ LYS 19 -14.129 -3.268 -1.980 159 3HZ LYS 19 3HZ LYS 19 -12.620 -2.695 -2.504 160 H GLY 20 H GLY 20 -6.765 -6.184 0.839 161 1HA GLY 20 2HA GLY 20 -6.497 -9.006 0.908 162 2HA GLY 20 1HA GLY 20 -5.283 -7.844 1.437 163 H ALA 21 H ALA 21 -6.586 -6.535 3.438 164 HA ALA 21 HA ALA 21 -6.482 -8.317 5.626 165 1HB ALA 21 1HB ALA 21 -6.007 -5.953 5.898 166 2HB ALA 21 2HB ALA 21 -7.341 -6.432 6.949 167 3HB ALA 21 3HB ALA 21 -7.665 -5.549 5.457 168 H ASP 22 H ASP 22 -9.148 -6.978 3.736 169 HA ASP 22 HA ASP 22 -11.308 -7.921 5.255 170 1HB ASP 22 2HB ASP 22 -11.607 -6.320 3.444 171 2HB ASP 22 1HB ASP 22 -11.048 -7.497 2.265 172 H ARG 23 H ARG 23 -9.510 -9.468 2.605 173 HA ARG 23 HA ARG 23 -10.905 -11.885 2.502 174 1HB ARG 23 2HB ARG 23 -9.121 -11.137 0.912 175 2HB ARG 23 1HB ARG 23 -7.926 -11.493 2.146 176 1HG ARG 23 2HG ARG 23 -7.781 -13.437 1.025 177 2HG ARG 23 1HG ARG 23 -9.159 -13.870 2.035 178 1HD ARG 23 2HD ARG 23 -9.395 -12.677 -0.726 179 2HD ARG 23 1HD ARG 23 -9.423 -14.407 -0.401 180 HE ARG 23 HE ARG 23 -11.385 -12.961 1.112 181 1HH1 ARG 23 1HH1 ARG 23 -10.717 -14.361 -2.042 182 2HH1 ARG 23 2HH1 ARG 23 -12.393 -14.602 -2.419 183 1HH2 ARG 23 1HH2 ARG 23 -13.589 -13.288 0.599 184 2HH2 ARG 23 2HH2 ARG 23 -14.018 -14.033 -0.922 185 H TYR 24 H TYR 24 -8.090 -10.957 4.454 186 HA TYR 24 HA TYR 24 -7.766 -13.306 5.932 187 1HB TYR 24 2HB TYR 24 -6.054 -11.668 6.054 188 2HB TYR 24 1HB TYR 24 -7.179 -10.410 6.549 189 HD1 TYR 24 1HD TYR 24 -5.618 -13.583 7.704 190 HD2 TYR 24 2HD TYR 24 -7.492 -9.933 8.815 191 HE1 TYR 24 1HE TYR 24 -5.059 -14.022 10.053 192 HE2 TYR 24 2HE TYR 24 -6.942 -10.361 11.174 193 HH TYR 24 HH TYR 24 -6.419 -12.271 12.630 194 H GLN 25 H GLN 25 -9.866 -10.529 6.454 195 HA GLN 25 HA GLN 25 -10.787 -11.225 9.027 196 1HB GLN 25 2HB GLN 25 -11.977 -9.515 6.845 197 2HB GLN 25 1HB GLN 25 -12.697 -9.667 8.438 198 1HG GLN 25 2HG GLN 25 -10.783 -8.697 9.477 199 2HG GLN 25 1HG GLN 25 -9.882 -8.734 7.963 200 1HE2 GLN 25 1HE2 GLN 25 -9.499 -6.549 7.956 201 2HE2 GLN 25 2HE2 GLN 25 -10.732 -5.378 7.643 202 H GLU 26 H GLU 26 -11.839 -12.149 5.810 203 HA GLU 26 HA GLU 26 -14.198 -13.517 6.707 204 1HB GLU 26 2HB GLU 26 -12.651 -13.807 4.127 205 2HB GLU 26 1HB GLU 26 -14.267 -14.429 4.431 206 1HG GLU 26 2HG GLU 26 -15.113 -12.169 4.679 207 2HG GLU 26 1HG GLU 26 -13.491 -11.521 4.446 208 H GLY 27 H GLY 27 -10.853 -14.208 6.520 209 1HA GLY 27 2HA GLY 27 -10.212 -16.045 8.090 210 2HA GLY 27 1HA GLY 27 -11.379 -17.029 7.214 211 H LYS 28 H LYS 28 -8.972 -18.097 7.312 212 HA LYS 28 HA LYS 28 -7.374 -17.304 5.063 213 1HB LYS 28 2HB LYS 28 -6.210 -19.533 5.522 214 2HB LYS 28 1HB LYS 28 -6.125 -18.308 6.777 215 1HG LYS 28 2HG LYS 28 -7.909 -19.441 8.005 216 2HG LYS 28 1HG LYS 28 -7.991 -20.671 6.743 217 1HD LYS 28 2HD LYS 28 -5.751 -21.383 7.211 218 2HD LYS 28 1HD LYS 28 -5.515 -20.050 8.344 219 1HE LYS 28 2HE LYS 28 -7.246 -20.975 9.795 220 2HE LYS 28 1HE LYS 28 -7.492 -22.303 8.660 221 1HZ LYS 28 1HZ LYS 28 -5.306 -23.103 9.079 222 2HZ LYS 28 2HZ LYS 28 -6.048 -22.855 10.583 223 3HZ LYS 28 3HZ LYS 28 -4.906 -21.740 10.002 224 H ASN 29 H ASN 29 -8.914 -17.290 3.424 225 HA ASN 29 HA ASN 29 -10.374 -19.672 2.731 226 1HB ASN 29 2HB ASN 29 -10.105 -16.982 1.384 227 2HB ASN 29 1HB ASN 29 -11.103 -18.289 0.751 228 1HD2 ASN 29 1HD2 ASN 29 -10.774 -15.862 3.208 229 2HD2 ASN 29 2HD2 ASN 29 -12.365 -16.027 3.855 230 H SER 30 H SER 30 -7.540 -20.005 2.723 231 HA SER 30 HA SER 30 -7.005 -20.433 -0.137 232 1HB SER 30 2HB SER 30 -5.365 -19.078 1.309 233 2HB SER 30 1HB SER 30 -4.962 -20.608 2.086 234 HG SER 30 HG SER 30 -4.945 -20.613 -0.688 235 H ASN 31 H ASN 31 -8.523 -21.984 2.091 236 HA ASN 31 HA ASN 31 -7.285 -24.451 2.553 237 1HB ASN 31 2HB ASN 31 -9.440 -23.524 3.573 238 2HB ASN 31 1HB ASN 31 -10.247 -24.048 2.102 239 1HD2 ASN 31 1HD2 ASN 31 -10.692 -24.878 4.821 240 2HD2 ASN 31 2HD2 ASN 31 -10.440 -26.587 4.870 241 H HIS 32 H HIS 32 -9.395 -23.349 -0.055 242 HA HIS 32 HA HIS 32 -8.206 -25.415 -1.774 243 1HB HIS 32 2HB HIS 32 -10.626 -25.910 -1.038 244 2HB HIS 32 1HB HIS 32 -11.083 -24.538 -2.040 245 HD1 HIS 32 1HD HIS 32 -11.866 -25.260 -4.277 246 HD2 HIS 32 2HD HIS 32 -8.935 -27.797 -2.756 247 HE1 HIS 32 1HE HIS 32 -11.550 -27.055 -6.007 248 HE2 HIS 32 2HE HIS 32 -9.683 -28.497 -5.132 249 H SER 33 H SER 33 -7.380 -24.599 -3.602 250 HA SER 33 HA SER 33 -6.841 -23.180 -5.285 251 1HB SER 33 2HB SER 33 -9.243 -21.554 -4.409 252 2HB SER 33 1HB SER 33 -8.311 -21.289 -5.881 253 HG SER 33 HG SER 33 -10.030 -22.527 -6.468 254 H TYR 34 H TYR 34 -6.624 -20.473 -5.452 255 HA TYR 34 HA TYR 34 -5.256 -18.779 -4.855 256 1HB TYR 34 2HB TYR 34 -6.157 -19.691 -2.150 257 2HB TYR 34 1HB TYR 34 -4.846 -18.523 -2.271 258 HD1 TYR 34 1HD TYR 34 -8.417 -19.023 -2.434 259 HD2 TYR 34 2HD TYR 34 -5.267 -16.349 -3.449 260 HE1 TYR 34 1HE TYR 34 -10.050 -17.199 -2.690 261 HE2 TYR 34 2HE TYR 34 -6.888 -14.522 -3.704 262 HH TYR 34 HH TYR 34 -9.325 -14.281 -4.207 263 H ASP 35 H ASP 35 -3.993 -20.717 -5.895 264 HA ASP 35 HA ASP 35 -1.955 -21.898 -4.258 265 1HB ASP 35 2HB ASP 35 -2.692 -23.075 -6.238 266 2HB ASP 35 1HB ASP 35 -2.296 -21.700 -7.260 267 H PHE 36 H PHE 36 0.293 -21.500 -4.427 268 HA PHE 36 HA PHE 36 1.124 -18.892 -4.086 269 1HB PHE 36 2HB PHE 36 2.377 -20.879 -3.350 270 2HB PHE 36 1HB PHE 36 2.758 -21.262 -5.023 271 HD1 PHE 36 1HD PHE 36 3.367 -18.881 -2.278 272 HD2 PHE 36 2HD PHE 36 4.543 -20.188 -6.156 273 HE1 PHE 36 1HE PHE 36 5.410 -17.524 -2.112 274 HE2 PHE 36 2HE PHE 36 6.588 -18.829 -5.996 275 HZ PHE 36 HZ PHE 36 7.024 -17.495 -3.973 276 H PHE 37 H PHE 37 1.225 -20.861 -7.056 277 HA PHE 37 HA PHE 37 2.672 -18.805 -8.474 278 1HB PHE 37 2HB PHE 37 1.427 -21.379 -9.456 279 2HB PHE 37 1HB PHE 37 2.470 -20.330 -10.410 280 HD1 PHE 37 1HD PHE 37 2.326 -22.973 -7.985 281 HD2 PHE 37 2HD PHE 37 4.843 -19.994 -9.688 282 HE1 PHE 37 1HE PHE 37 4.302 -24.161 -7.124 283 HE2 PHE 37 2HE PHE 37 6.826 -21.174 -8.832 284 HZ PHE 37 HZ PHE 37 6.558 -23.260 -7.547 285 H GLU 38 H GLU 38 -0.622 -19.497 -7.872 286 HA GLU 38 HA GLU 38 -1.707 -18.298 -10.228 287 1HB GLU 38 2HB GLU 38 -2.949 -18.628 -7.495 288 2HB GLU 38 1HB GLU 38 -3.811 -18.140 -8.944 289 1HG GLU 38 2HG GLU 38 -3.187 -20.330 -9.952 290 2HG GLU 38 1HG GLU 38 -2.540 -20.801 -8.379 291 H THR 39 H THR 39 -0.898 -17.164 -7.005 292 HA THR 39 HA THR 39 -1.915 -14.494 -7.689 293 HB THR 39 HB THR 39 -1.253 -15.440 -4.908 294 HG1 THR 39 1HG THR 39 -2.740 -16.945 -5.600 295 1HG2 THR 39 1HG2 THR 39 -3.230 -13.419 -5.976 296 2HG2 THR 39 2HG2 THR 39 -1.667 -13.039 -5.252 297 3HG2 THR 39 3HG2 THR 39 -2.934 -13.781 -4.273 298 H ILE 40 H ILE 40 0.875 -16.164 -6.236 299 HA ILE 40 HA ILE 40 2.180 -13.631 -5.719 300 HB ILE 40 HB ILE 40 3.299 -16.398 -5.252 301 1HG1 ILE 40 2HG1 ILE 40 1.155 -16.162 -4.079 302 2HG1 ILE 40 1HG1 ILE 40 2.500 -16.182 -2.943 303 1HG2 ILE 40 1HG2 ILE 40 4.968 -14.636 -5.193 304 2HG2 ILE 40 2HG2 ILE 40 4.681 -15.257 -3.567 305 3HG2 ILE 40 3HG2 ILE 40 3.983 -13.714 -4.059 306 1HD1 ILE 40 1HD1 ILE 40 1.024 -13.726 -3.881 307 2HD1 ILE 40 2HD1 ILE 40 2.353 -13.759 -2.721 308 3HD1 ILE 40 3HD1 ILE 40 0.818 -14.533 -2.324 309 H LYS 41 H LYS 41 1.956 -13.483 -8.247 310 HA LYS 41 HA LYS 41 4.665 -13.271 -9.050 311 1HB LYS 41 2HB LYS 41 4.273 -15.651 -9.668 312 2HB LYS 41 1HB LYS 41 2.979 -15.133 -10.740 313 1HG LYS 41 2HG LYS 41 5.030 -15.561 -11.977 314 2HG LYS 41 1HG LYS 41 4.574 -13.860 -12.072 315 1HD LYS 41 2HD LYS 41 6.196 -13.339 -10.305 316 2HD LYS 41 1HD LYS 41 6.664 -15.039 -10.240 317 1HE LYS 41 2HE LYS 41 8.278 -13.860 -11.566 318 2HE LYS 41 1HE LYS 41 7.321 -14.885 -12.634 319 1HZ LYS 41 1HZ LYS 41 6.938 -11.962 -12.232 320 2HZ LYS 41 2HZ LYS 41 6.020 -12.950 -13.268 321 3HZ LYS 41 3HZ LYS 41 7.666 -12.695 -13.580 322 HA PRO 42 HA PRO 42 1.907 -11.283 -12.493 323 1HB PRO 42 2HB PRO 42 -0.812 -11.418 -12.131 324 2HB PRO 42 1HB PRO 42 0.105 -12.533 -13.149 325 1HG PRO 42 2HG PRO 42 -0.871 -12.892 -10.345 326 2HG PRO 42 1HG PRO 42 -0.872 -14.049 -11.688 327 1HD PRO 42 2HD PRO 42 0.969 -14.153 -9.732 328 2HD PRO 42 1HD PRO 42 1.363 -14.566 -11.413 329 H ALA 43 H ALA 43 0.346 -11.394 -9.308 330 HA ALA 43 HA ALA 43 -0.298 -8.620 -9.267 331 1HB ALA 43 1HB ALA 43 -0.075 -10.567 -6.976 332 2HB ALA 43 2HB ALA 43 -1.526 -10.268 -7.934 333 3HB ALA 43 3HB ALA 43 -0.853 -8.985 -6.926 334 H VAL 44 H VAL 44 2.402 -10.556 -8.105 335 HA VAL 44 HA VAL 44 3.648 -8.651 -6.483 336 HB VAL 44 HB VAL 44 4.946 -10.848 -8.109 337 1HG1 VAL 44 1HG1 VAL 44 5.994 -9.346 -5.711 338 2HG1 VAL 44 2HG1 VAL 44 6.574 -9.186 -7.369 339 3HG1 VAL 44 3HG1 VAL 44 6.780 -10.710 -6.506 340 1HG2 VAL 44 1HG2 VAL 44 4.840 -12.144 -6.025 341 2HG2 VAL 44 2HG2 VAL 44 3.236 -11.707 -6.613 342 3HG2 VAL 44 3HG2 VAL 44 3.947 -10.827 -5.261 343 H GLU 45 H GLU 45 3.937 -9.274 -9.955 344 HA GLU 45 HA GLU 45 5.972 -7.509 -10.591 345 1HB GLU 45 2HB GLU 45 3.503 -8.212 -12.166 346 2HB GLU 45 1HB GLU 45 4.911 -7.404 -12.825 347 1HG GLU 45 2HG GLU 45 4.757 -10.193 -11.729 348 2HG GLU 45 1HG GLU 45 5.021 -9.705 -13.400 349 H GLU 46 H GLU 46 2.497 -6.934 -10.306 350 HA GLU 46 HA GLU 46 2.571 -4.196 -10.967 351 1HB GLU 46 2HB GLU 46 0.561 -5.918 -9.529 352 2HB GLU 46 1HB GLU 46 0.288 -4.250 -9.925 353 1HG GLU 46 2HG GLU 46 0.673 -6.537 -11.817 354 2HG GLU 46 1HG GLU 46 -0.771 -5.548 -11.602 355 H ASN 47 H ASN 47 2.388 -5.955 -7.907 356 HA ASN 47 HA ASN 47 2.242 -3.829 -6.132 357 1HB ASN 47 2HB ASN 47 3.602 -6.510 -5.797 358 2HB ASN 47 1HB ASN 47 3.347 -5.375 -4.477 359 1HD2 ASN 47 1HD2 ASN 47 0.740 -4.519 -5.475 360 2HD2 ASN 47 2HD2 ASN 47 -0.344 -5.819 -5.136 361 H ASP 48 H ASP 48 5.163 -5.441 -7.350 362 HA ASP 48 HA ASP 48 7.071 -3.929 -6.001 363 1HB ASP 48 2HB ASP 48 7.590 -5.972 -7.274 364 2HB ASP 48 1HB ASP 48 7.262 -5.118 -8.779 365 H GLU 49 H GLU 49 5.830 -3.441 -9.294 366 HA GLU 49 HA GLU 49 7.112 -1.027 -9.834 367 1HB GLU 49 2HB GLU 49 4.524 -2.174 -10.840 368 2HB GLU 49 1HB GLU 49 5.235 -0.699 -11.482 369 1HG GLU 49 2HG GLU 49 6.828 -3.219 -11.370 370 2HG GLU 49 1HG GLU 49 5.672 -2.942 -12.662 371 H LEU 50 H LEU 50 4.006 -1.688 -8.303 372 HA LEU 50 HA LEU 50 3.010 0.930 -8.213 373 1HB LEU 50 2HB LEU 50 1.871 -1.343 -7.700 374 2HB LEU 50 1HB LEU 50 2.477 -1.110 -6.076 375 HG LEU 50 HG LEU 50 1.228 1.062 -5.992 376 1HD1 LEU 50 1HD1 LEU 50 0.029 0.028 -8.561 377 2HD1 LEU 50 2HD1 LEU 50 1.052 1.457 -8.391 378 3HD1 LEU 50 3HD1 LEU 50 -0.544 1.422 -7.641 379 1HD2 LEU 50 1HD2 LEU 50 -0.952 0.025 -5.638 380 2HD2 LEU 50 2HD2 LEU 50 0.339 -0.983 -4.982 381 3HD2 LEU 50 3HD2 LEU 50 -0.424 -1.410 -6.515 382 H ALA 51 H ALA 51 4.725 -0.956 -5.739 383 HA ALA 51 HA ALA 51 4.792 1.069 -3.790 384 1HB ALA 51 1HB ALA 51 5.145 -1.306 -3.291 385 2HB ALA 51 2HB ALA 51 6.461 -0.306 -2.677 386 3HB ALA 51 3HB ALA 51 6.686 -1.250 -4.148 387 H ALA 52 H ALA 52 7.126 0.173 -6.295 388 HA ALA 52 HA ALA 52 9.173 1.928 -5.459 389 1HB ALA 52 1HB ALA 52 8.635 0.854 -8.227 390 2HB ALA 52 2HB ALA 52 9.562 0.036 -6.968 391 3HB ALA 52 3HB ALA 52 10.150 1.551 -7.652 392 H ARG 53 H ARG 53 6.609 2.277 -7.897 393 HA ARG 53 HA ARG 53 7.338 4.879 -8.703 394 1HB ARG 53 2HB ARG 53 5.768 3.021 -9.745 395 2HB ARG 53 1HB ARG 53 4.525 3.897 -8.865 396 1HG ARG 53 2HG ARG 53 6.405 5.284 -10.736 397 2HG ARG 53 1HG ARG 53 4.929 4.499 -11.286 398 1HD ARG 53 2HD ARG 53 3.653 6.186 -10.563 399 2HD ARG 53 1HD ARG 53 4.459 6.208 -8.993 400 HE ARG 53 HE ARG 53 6.286 7.434 -10.444 401 1HH1 ARG 53 1HH1 ARG 53 2.806 7.832 -10.593 402 2HH1 ARG 53 2HH1 ARG 53 2.884 9.524 -10.991 403 1HH2 ARG 53 1HH2 ARG 53 6.408 9.613 -10.975 404 2HH2 ARG 53 2HH2 ARG 53 4.959 10.547 -11.215 405 H TRP 54 H TRP 54 5.166 3.619 -6.222 406 HA TRP 54 HA TRP 54 3.868 6.024 -5.580 407 1HB TRP 54 2HB TRP 54 3.176 3.730 -4.812 408 2HB TRP 54 1HB TRP 54 4.510 3.770 -3.666 409 HD1 TRP 54 HD TRP 54 1.156 5.506 -4.386 410 HE1 TRP 54 1HE TRP 54 0.311 6.585 -2.210 411 HE3 TRP 54 3HE TRP 54 5.223 4.621 -1.422 412 HZ2 TRP 54 2HZ TRP 54 1.252 7.005 0.422 413 HZ3 TRP 54 3HZ TRP 54 5.173 5.399 0.912 414 HH2 TRP 54 HH TRP 54 3.228 6.566 1.814 415 H ALA 55 H ALA 55 6.834 4.559 -4.314 416 HA ALA 55 HA ALA 55 7.439 6.434 -2.351 417 1HB ALA 55 1HB ALA 55 8.656 4.336 -2.617 418 2HB ALA 55 2HB ALA 55 9.762 5.708 -2.580 419 3HB ALA 55 3HB ALA 55 9.370 4.930 -4.115 420 H GLU 56 H GLU 56 8.279 6.438 -5.810 421 HA GLU 56 HA GLU 56 9.737 8.759 -5.928 422 1HB GLU 56 2HB GLU 56 9.681 7.209 -7.750 423 2HB GLU 56 1HB GLU 56 7.934 7.363 -7.902 424 1HG GLU 56 2HG GLU 56 8.234 9.704 -8.491 425 2HG GLU 56 1HG GLU 56 9.969 9.459 -8.436 426 H GLY 57 H GLY 57 6.249 8.222 -6.354 427 1HA GLY 57 2HA GLY 57 5.542 10.868 -6.975 428 2HA GLY 57 1HA GLY 57 4.461 9.654 -6.311 429 H ALA 58 H ALA 58 5.632 9.199 -3.848 430 HA ALA 58 HA ALA 58 4.631 11.378 -2.347 431 1HB ALA 58 1HB ALA 58 4.598 9.079 -1.529 432 2HB ALA 58 2HB ALA 58 5.419 10.152 -0.396 433 3HB ALA 58 3HB ALA 58 6.360 9.082 -1.437 434 H LEU 59 H LEU 59 7.929 10.277 -3.048 435 HA LEU 59 HA LEU 59 9.285 12.186 -1.511 436 1HB LEU 59 2HB LEU 59 10.026 10.569 -3.927 437 2HB LEU 59 1HB LEU 59 11.151 11.651 -3.153 438 HG LEU 59 HG LEU 59 9.834 9.271 -1.850 439 1HD1 LEU 59 1HD1 LEU 59 11.490 8.614 -3.509 440 2HD1 LEU 59 2HD1 LEU 59 12.064 8.282 -1.874 441 3HD1 LEU 59 3HD1 LEU 59 12.680 9.679 -2.759 442 1HD2 LEU 59 1HD2 LEU 59 11.953 11.138 -0.795 443 2HD2 LEU 59 2HD2 LEU 59 11.344 9.695 0.014 444 3HD2 LEU 59 3HD2 LEU 59 10.274 11.069 -0.261 445 H GLU 60 H GLU 60 8.079 12.218 -4.803 446 HA GLU 60 HA GLU 60 9.187 14.564 -5.775 447 1HB GLU 60 2HB GLU 60 7.831 13.027 -7.127 448 2HB GLU 60 1HB GLU 60 6.394 13.493 -6.228 449 1HG GLU 60 2HG GLU 60 6.320 14.644 -8.282 450 2HG GLU 60 1HG GLU 60 6.752 15.833 -7.056 451 H LEU 61 H LEU 61 6.161 14.178 -3.932 452 HA LEU 61 HA LEU 61 5.479 16.912 -3.993 453 1HB LEU 61 2HB LEU 61 4.573 14.552 -2.429 454 2HB LEU 61 1HB LEU 61 4.143 16.142 -1.831 455 HG LEU 61 HG LEU 61 3.017 16.646 -3.956 456 1HD1 LEU 61 1HD1 LEU 61 4.350 15.251 -5.444 457 2HD1 LEU 61 2HD1 LEU 61 2.630 14.890 -5.599 458 3HD1 LEU 61 3HD1 LEU 61 3.682 13.801 -4.693 459 1HD2 LEU 61 1HD2 LEU 61 1.135 15.106 -3.676 460 2HD2 LEU 61 2HD2 LEU 61 1.734 15.708 -2.130 461 3HD2 LEU 61 3HD2 LEU 61 2.139 14.074 -2.658 462 H ILE 62 H ILE 62 7.363 15.018 -1.665 463 HA ILE 62 HA ILE 62 7.329 17.081 0.310 464 HB ILE 62 HB ILE 62 8.846 15.779 1.604 465 1HG1 ILE 62 2HG1 ILE 62 9.280 14.019 -0.816 466 2HG1 ILE 62 1HG1 ILE 62 10.425 15.227 -0.247 467 1HG2 ILE 62 1HG2 ILE 62 6.957 13.973 0.108 468 2HG2 ILE 62 2HG2 ILE 62 6.569 14.962 1.518 469 3HG2 ILE 62 3HG2 ILE 62 7.699 13.615 1.667 470 1HD1 ILE 62 1HD1 ILE 62 11.040 12.979 0.466 471 2HD1 ILE 62 2HD1 ILE 62 9.499 12.827 1.312 472 3HD1 ILE 62 3HD1 ILE 62 10.683 14.023 1.843 473 H LYS 63 H LYS 63 9.415 16.398 -2.409 474 HA LYS 63 HA LYS 63 11.544 18.105 -1.453 475 1HB LYS 63 2HB LYS 63 12.601 17.696 -3.615 476 2HB LYS 63 1HB LYS 63 12.042 16.183 -2.915 477 1HG LYS 63 2HG LYS 63 9.972 16.452 -4.354 478 2HG LYS 63 1HG LYS 63 10.851 17.729 -5.194 479 1HD LYS 63 2HD LYS 63 12.324 15.208 -4.866 480 2HD LYS 63 1HD LYS 63 10.894 15.107 -5.888 481 1HE LYS 63 2HE LYS 63 13.142 17.082 -6.224 482 2HE LYS 63 1HE LYS 63 12.941 15.600 -7.158 483 1HZ LYS 63 1HZ LYS 63 11.410 18.097 -7.285 484 2HZ LYS 63 2HZ LYS 63 10.594 16.646 -7.617 485 3HZ LYS 63 3HZ LYS 63 11.943 17.089 -8.540 486 H VAL 64 H VAL 64 8.692 18.408 -3.409 487 HA VAL 64 HA VAL 64 9.476 20.941 -4.546 488 HB VAL 64 HB VAL 64 6.813 19.512 -4.601 489 1HG1 VAL 64 1HG1 VAL 64 7.767 21.900 -6.175 490 2HG1 VAL 64 2HG1 VAL 64 6.511 21.902 -4.937 491 3HG1 VAL 64 3HG1 VAL 64 6.259 21.031 -6.448 492 1HG2 VAL 64 1HG2 VAL 64 9.020 19.698 -6.649 493 2HG2 VAL 64 2HG2 VAL 64 7.438 18.966 -6.921 494 3HG2 VAL 64 3HG2 VAL 64 8.546 18.261 -5.743 495 H ARG 65 H ARG 65 7.311 19.831 -1.966 496 HA ARG 65 HA ARG 65 7.371 22.504 -0.837 497 1HB ARG 65 2HB ARG 65 4.876 22.525 -0.564 498 2HB ARG 65 1HB ARG 65 5.448 22.752 -2.209 499 1HG ARG 65 2HG ARG 65 4.951 20.401 -2.695 500 2HG ARG 65 1HG ARG 65 4.351 20.201 -1.045 501 1HD ARG 65 2HD ARG 65 2.570 20.602 -2.751 502 2HD ARG 65 1HD ARG 65 2.584 21.760 -1.420 503 HE ARG 65 HE ARG 65 4.132 22.714 -3.604 504 1HH1 ARG 65 1HH1 ARG 65 0.843 22.280 -2.521 505 2HH1 ARG 65 2HH1 ARG 65 0.205 23.556 -3.507 506 1HH2 ARG 65 1HH2 ARG 65 3.320 24.400 -4.897 507 2HH2 ARG 65 2HH2 ARG 65 1.619 24.757 -4.883 508 H ARG 66 H ARG 66 5.634 22.344 1.184 509 HA ARG 66 HA ARG 66 6.789 20.181 2.789 510 1HB ARG 66 2HB ARG 66 5.758 22.897 3.359 511 2HB ARG 66 1HB ARG 66 5.485 21.687 4.602 512 1HG ARG 66 2HG ARG 66 7.497 22.886 5.096 513 2HG ARG 66 1HG ARG 66 7.909 21.233 4.651 514 1HD ARG 66 2HD ARG 66 7.957 23.430 2.614 515 2HD ARG 66 1HD ARG 66 9.318 23.183 3.705 516 HE ARG 66 HE ARG 66 8.330 21.027 1.953 517 1HH1 ARG 66 1HH1 ARG 66 10.930 22.974 3.251 518 2HH1 ARG 66 2HH1 ARG 66 12.163 22.154 2.347 519 1HH2 ARG 66 1HH2 ARG 66 9.974 19.915 0.783 520 2HH2 ARG 66 2HH2 ARG 66 11.630 20.431 0.952 521 HA PRO 67 HA PRO 67 2.727 18.254 2.878 522 1HB PRO 67 2HB PRO 67 3.952 15.996 4.131 523 2HB PRO 67 1HB PRO 67 3.421 16.146 2.455 524 1HG PRO 67 2HG PRO 67 6.055 15.911 3.269 525 2HG PRO 67 1HG PRO 67 5.524 16.557 1.709 526 1HD PRO 67 2HD PRO 67 6.399 18.010 4.166 527 2HD PRO 67 1HD PRO 67 6.674 18.406 2.456 528 H LYS 68 H LYS 68 1.393 17.392 4.645 529 HA LYS 68 HA LYS 68 2.201 18.635 7.187 530 1HB LYS 68 2HB LYS 68 -0.569 17.982 6.167 531 2HB LYS 68 1HB LYS 68 -0.215 18.699 7.729 532 1HG LYS 68 2HG LYS 68 -0.854 20.508 6.412 533 2HG LYS 68 1HG LYS 68 0.908 20.583 6.405 534 1HD LYS 68 2HD LYS 68 0.315 20.948 4.172 535 2HD LYS 68 1HD LYS 68 0.771 19.248 4.221 536 1HE LYS 68 2HE LYS 68 -2.053 20.314 4.307 537 2HE LYS 68 1HE LYS 68 -1.263 19.620 2.894 538 1HZ LYS 68 1HZ LYS 68 -1.942 18.224 5.421 539 2HZ LYS 68 2HZ LYS 68 -1.029 17.528 4.170 540 3HZ LYS 68 3HZ LYS 68 -2.647 17.967 3.901 541 H TYR 69 H TYR 69 0.567 15.752 5.891 542 HA TYR 69 HA TYR 69 0.638 14.539 8.547 543 1HB TYR 69 2HB TYR 69 -0.618 13.643 5.956 544 2HB TYR 69 1HB TYR 69 -0.678 12.718 7.447 545 HD1 TYR 69 1HD TYR 69 -2.054 15.514 5.591 546 HD2 TYR 69 2HD TYR 69 -1.989 13.568 9.378 547 HE1 TYR 69 1HE TYR 69 -4.109 16.699 6.228 548 HE2 TYR 69 2HE TYR 69 -4.048 14.755 10.023 549 HH TYR 69 HH TYR 69 -6.019 16.348 7.826 550 H VAL 70 H VAL 70 1.742 13.711 5.254 551 HA VAL 70 HA VAL 70 2.838 11.213 6.080 552 HB VAL 70 HB VAL 70 1.997 11.642 3.780 553 1HG1 VAL 70 1HG1 VAL 70 4.544 13.213 3.443 554 2HG1 VAL 70 2HG1 VAL 70 2.912 13.878 3.456 555 3HG1 VAL 70 3HG1 VAL 70 3.408 12.789 2.160 556 1HG2 VAL 70 1HG2 VAL 70 3.770 10.406 2.616 557 2HG2 VAL 70 2HG2 VAL 70 3.410 9.725 4.202 558 3HG2 VAL 70 3HG2 VAL 70 4.856 10.710 3.972 559 H HIS 71 H HIS 71 5.006 10.561 6.183 560 HA HIS 71 HA HIS 71 7.002 12.709 6.364 561 1HB HIS 71 2HB HIS 71 6.382 10.586 8.405 562 2HB HIS 71 1HB HIS 71 7.986 11.303 8.304 563 HD1 HIS 71 1HD HIS 71 4.377 12.436 8.791 564 HD2 HIS 71 2HD HIS 71 8.260 13.596 9.720 565 HE1 HIS 71 1HE HIS 71 4.143 14.439 10.284 566 HE2 HIS 71 2HE HIS 71 6.495 14.993 11.001 567 H LYS 72 H LYS 72 9.209 11.966 6.092 568 HA LYS 72 HA LYS 72 9.464 10.317 3.838 569 1HB LYS 72 2HB LYS 72 11.064 12.048 4.233 570 2HB LYS 72 1HB LYS 72 11.506 11.367 5.791 571 1HG LYS 72 2HG LYS 72 12.518 9.459 4.710 572 2HG LYS 72 1HG LYS 72 12.002 10.052 3.128 573 1HD LYS 72 2HD LYS 72 13.434 11.952 3.294 574 2HD LYS 72 1HD LYS 72 13.803 11.599 4.983 575 1HE LYS 72 2HE LYS 72 14.536 9.862 2.629 576 2HE LYS 72 1HE LYS 72 15.632 10.960 3.465 577 1HZ LYS 72 1HZ LYS 72 14.396 8.468 4.492 578 2HZ LYS 72 2HZ LYS 72 15.059 9.634 5.532 579 3HZ LYS 72 3HZ LYS 72 16.043 8.870 4.384 580 H GLU 73 H GLU 73 10.185 9.676 7.252 581 HA GLU 73 HA GLU 73 11.323 7.147 7.003 582 1HB GLU 73 2HB GLU 73 9.620 8.329 9.194 583 2HB GLU 73 1HB GLU 73 10.462 6.792 9.344 584 1HG GLU 73 2HG GLU 73 12.542 7.778 9.378 585 2HG GLU 73 1HG GLU 73 11.979 9.240 8.573 586 H GLN 74 H GLN 74 7.963 8.122 6.999 587 HA GLN 74 HA GLN 74 6.852 5.517 7.173 588 1HB GLN 74 2HB GLN 74 5.769 8.191 6.312 589 2HB GLN 74 1HB GLN 74 4.793 6.736 6.216 590 1HG GLN 74 2HG GLN 74 6.082 7.750 8.738 591 2HG GLN 74 1HG GLN 74 4.420 8.090 8.263 592 1HE2 GLN 74 1HE2 GLN 74 3.562 7.082 10.061 593 2HE2 GLN 74 2HE2 GLN 74 3.573 5.357 10.249 594 H ILE 75 H ILE 75 7.547 7.688 4.477 595 HA ILE 75 HA ILE 75 6.368 6.208 2.429 596 HB ILE 75 HB ILE 75 8.804 7.990 2.244 597 1HG1 ILE 75 2HG1 ILE 75 5.890 8.690 1.829 598 2HG1 ILE 75 1HG1 ILE 75 6.781 9.032 3.308 599 1HG2 ILE 75 1HG2 ILE 75 8.143 8.293 -0.092 600 2HG2 ILE 75 2HG2 ILE 75 6.819 7.148 0.131 601 3HG2 ILE 75 3HG2 ILE 75 8.492 6.600 0.258 602 1HD1 ILE 75 1HD1 ILE 75 6.615 10.997 1.901 603 2HD1 ILE 75 2HD1 ILE 75 7.397 10.134 0.577 604 3HD1 ILE 75 3HD1 ILE 75 8.294 10.480 2.055 605 H GLU 76 H GLU 76 9.628 6.024 3.783 606 HA GLU 76 HA GLU 76 10.572 4.165 1.833 607 1HB GLU 76 2HB GLU 76 11.680 4.868 4.554 608 2HB GLU 76 1HB GLU 76 12.520 3.924 3.331 609 1HG GLU 76 2HG GLU 76 12.446 5.852 1.815 610 2HG GLU 76 1HG GLU 76 11.660 6.798 3.079 611 H ALA 77 H ALA 77 8.877 3.901 4.842 612 HA ALA 77 HA ALA 77 9.520 1.128 5.272 613 1HB ALA 77 1HB ALA 77 7.383 2.821 6.559 614 2HB ALA 77 2HB ALA 77 9.034 2.633 7.150 615 3HB ALA 77 3HB ALA 77 7.945 1.247 7.116 616 H VAL 78 H VAL 78 6.776 2.962 3.996 617 HA VAL 78 HA VAL 78 4.893 0.932 3.868 618 HB VAL 78 HB VAL 78 5.253 3.283 2.004 619 1HG1 VAL 78 1HG1 VAL 78 2.886 2.961 1.413 620 2HG1 VAL 78 2HG1 VAL 78 2.871 1.459 2.336 621 3HG1 VAL 78 3HG1 VAL 78 3.890 1.605 0.905 622 1HG2 VAL 78 1HG2 VAL 78 3.476 2.875 4.409 623 2HG2 VAL 78 2HG2 VAL 78 3.474 4.293 3.360 624 3HG2 VAL 78 3HG2 VAL 78 4.901 3.910 4.324 625 H LYS 79 H LYS 79 7.488 1.682 1.582 626 HA LYS 79 HA LYS 79 6.646 0.127 -0.570 627 1HB LYS 79 2HB LYS 79 8.566 1.697 -0.641 628 2HB LYS 79 1HB LYS 79 9.500 0.571 0.336 629 1HG LYS 79 2HG LYS 79 8.796 -1.076 -1.647 630 2HG LYS 79 1HG LYS 79 8.768 0.452 -2.525 631 1HD LYS 79 2HD LYS 79 10.955 -0.564 -2.726 632 2HD LYS 79 1HD LYS 79 11.070 0.904 -1.752 633 1HE LYS 79 2HE LYS 79 11.183 -0.361 0.271 634 2HE LYS 79 1HE LYS 79 10.802 -1.858 -0.576 635 1HZ LYS 79 1HZ LYS 79 13.178 -1.604 -0.015 636 2HZ LYS 79 2HZ LYS 79 13.263 -0.261 -1.042 637 3HZ LYS 79 3HZ LYS 79 12.908 -1.790 -1.677 638 H ASP 80 H ASP 80 8.751 -0.801 2.144 639 HA ASP 80 HA ASP 80 9.035 -3.495 1.191 640 1HB ASP 80 2HB ASP 80 10.790 -2.284 2.518 641 2HB ASP 80 1HB ASP 80 9.734 -2.398 3.923 642 H ASN 81 H ASN 81 7.271 -1.882 3.788 643 HA ASN 81 HA ASN 81 6.128 -4.124 4.994 644 1HB ASN 81 2HB ASN 81 5.202 -1.264 4.773 645 2HB ASN 81 1HB ASN 81 4.274 -2.471 5.652 646 1HD2 ASN 81 1HD2 ASN 81 4.547 -1.360 7.580 647 2HD2 ASN 81 2HD2 ASN 81 6.044 -1.345 8.438 648 H PHE 82 H PHE 82 5.104 -2.273 2.171 649 HA PHE 82 HA PHE 82 2.552 -3.420 1.870 650 1HB PHE 82 2HB PHE 82 3.290 -1.382 0.675 651 2HB PHE 82 1HB PHE 82 4.403 -2.356 -0.278 652 HD1 PHE 82 1HD PHE 82 3.728 -2.903 -2.396 653 HD2 PHE 82 2HD PHE 82 0.779 -2.356 0.622 654 HE1 PHE 82 1HE PHE 82 1.960 -3.308 -4.058 655 HE2 PHE 82 2HE PHE 82 -0.996 -2.757 -1.035 656 HZ PHE 82 HZ PHE 82 -0.407 -3.233 -3.377 657 H LEU 83 H LEU 83 5.686 -4.320 0.474 658 HA LEU 83 HA LEU 83 4.775 -6.450 -1.105 659 1HB LEU 83 2HB LEU 83 7.457 -5.933 0.171 660 2HB LEU 83 1HB LEU 83 7.161 -7.247 -0.951 661 HG LEU 83 HG LEU 83 6.772 -4.330 -1.633 662 1HD1 LEU 83 1HD1 LEU 83 8.853 -4.531 -2.900 663 2HD1 LEU 83 2HD1 LEU 83 9.075 -6.168 -2.283 664 3HD1 LEU 83 3HD1 LEU 83 9.124 -4.794 -1.177 665 1HD2 LEU 83 1HD2 LEU 83 6.828 -6.821 -3.331 666 2HD2 LEU 83 2HD2 LEU 83 6.729 -5.168 -3.939 667 3HD2 LEU 83 3HD2 LEU 83 5.414 -5.832 -2.969 668 H GLU 84 H GLU 84 6.037 -6.405 2.216 669 HA GLU 84 HA GLU 84 5.766 -9.168 2.709 670 1HB GLU 84 2HB GLU 84 6.066 -6.730 4.378 671 2HB GLU 84 1HB GLU 84 5.438 -8.166 5.174 672 1HG GLU 84 2HG GLU 84 8.004 -8.081 3.613 673 2HG GLU 84 1HG GLU 84 7.890 -7.888 5.362 674 H LEU 85 H LEU 85 3.565 -6.452 3.245 675 HA LEU 85 HA LEU 85 1.541 -7.731 4.633 676 1HB LEU 85 2HB LEU 85 1.804 -5.258 4.057 677 2HB LEU 85 1HB LEU 85 1.069 -5.636 2.514 678 HG LEU 85 HG LEU 85 -0.331 -6.200 5.124 679 1HD1 LEU 85 1HD1 LEU 85 -0.474 -3.696 3.452 680 2HD1 LEU 85 2HD1 LEU 85 0.240 -3.829 5.058 681 3HD1 LEU 85 3HD1 LEU 85 -1.492 -4.074 4.842 682 1HD2 LEU 85 1HD2 LEU 85 -1.206 -7.319 3.112 683 2HD2 LEU 85 2HD2 LEU 85 -1.370 -5.750 2.324 684 3HD2 LEU 85 3HD2 LEU 85 -2.337 -6.125 3.750 685 H VAL 86 H VAL 86 1.825 -7.336 1.095 686 HA VAL 86 HA VAL 86 -0.507 -8.777 0.444 687 HB VAL 86 HB VAL 86 1.983 -8.404 -1.241 688 1HG1 VAL 86 1HG1 VAL 86 0.496 -8.789 -3.151 689 2HG1 VAL 86 2HG1 VAL 86 -0.838 -9.114 -2.046 690 3HG1 VAL 86 3HG1 VAL 86 0.554 -10.194 -2.086 691 1HG2 VAL 86 1HG2 VAL 86 1.068 -6.271 -0.529 692 2HG2 VAL 86 2HG2 VAL 86 -0.541 -6.760 -1.058 693 3HG2 VAL 86 3HG2 VAL 86 0.742 -6.524 -2.244 694 H LEU 87 H LEU 87 2.881 -9.783 0.662 695 HA LEU 87 HA LEU 87 2.568 -12.395 -0.277 696 1HB LEU 87 2HB LEU 87 4.745 -11.308 -0.046 697 2HB LEU 87 1HB LEU 87 4.579 -11.315 1.699 698 HG LEU 87 HG LEU 87 4.590 -13.805 1.647 699 1HD1 LEU 87 1HD1 LEU 87 5.341 -14.935 -0.384 700 2HD1 LEU 87 2HD1 LEU 87 5.274 -13.407 -1.261 701 3HD1 LEU 87 3HD1 LEU 87 3.792 -14.127 -0.630 702 1HD2 LEU 87 1HD2 LEU 87 6.982 -14.014 1.230 703 2HD2 LEU 87 2HD2 LEU 87 6.622 -12.528 2.108 704 3HD2 LEU 87 3HD2 LEU 87 6.979 -12.470 0.382 705 H GLN 88 H GLN 88 2.630 -11.217 3.095 706 HA GLN 88 HA GLN 88 2.091 -13.897 4.045 707 1HB GLN 88 2HB GLN 88 2.321 -12.975 6.274 708 2HB GLN 88 1HB GLN 88 3.656 -12.458 5.253 709 1HG GLN 88 2HG GLN 88 2.409 -10.308 4.899 710 2HG GLN 88 1HG GLN 88 1.297 -10.839 6.163 711 1HE2 GLN 88 1HE2 GLN 88 3.102 -8.558 6.106 712 2HE2 GLN 88 2HE2 GLN 88 4.148 -8.739 7.467 713 H SER 89 H SER 89 0.150 -11.587 2.794 714 HA SER 89 HA SER 89 -2.083 -11.715 4.546 715 1HB SER 89 2HB SER 89 -1.764 -9.977 2.762 716 2HB SER 89 1HB SER 89 -2.097 -11.219 1.555 717 HG SER 89 HG SER 89 -3.817 -9.819 3.135 718 H TYR 90 H TYR 90 -0.774 -13.774 2.091 719 HA TYR 90 HA TYR 90 -3.150 -15.494 2.193 720 1HB TYR 90 2HB TYR 90 -0.825 -15.520 0.254 721 2HB TYR 90 1HB TYR 90 -2.234 -16.574 0.177 722 HD1 TYR 90 1HD TYR 90 -0.845 -13.451 -0.827 723 HD2 TYR 90 2HD TYR 90 -4.531 -15.438 -0.077 724 HE1 TYR 90 1HE TYR 90 -2.025 -11.761 -2.169 725 HE2 TYR 90 2HE TYR 90 -5.719 -13.757 -1.420 726 HH TYR 90 HH TYR 90 -5.350 -11.367 -2.123 727 H VAL 91 H VAL 91 0.416 -15.701 2.361 728 HA VAL 91 HA VAL 91 0.316 -18.458 3.152 729 HB VAL 91 HB VAL 91 2.758 -18.291 3.424 730 1HG1 VAL 91 1HG1 VAL 91 3.284 -17.818 1.072 731 2HG1 VAL 91 2HG1 VAL 91 1.687 -17.094 0.872 732 3HG1 VAL 91 3HG1 VAL 91 1.837 -18.812 1.245 733 1HG2 VAL 91 1HG2 VAL 91 3.917 -16.219 2.810 734 2HG2 VAL 91 2HG2 VAL 91 2.918 -16.011 4.250 735 3HG2 VAL 91 3HG2 VAL 91 2.363 -15.391 2.694 736 H HIS 92 H HIS 92 0.662 -15.404 4.820 737 HA HIS 92 HA HIS 92 0.731 -14.803 6.999 738 1HB HIS 92 2HB HIS 92 -0.752 -17.413 7.258 739 2HB HIS 92 1HB HIS 92 -0.502 -16.313 8.610 740 HD1 HIS 92 1HD HIS 92 -1.722 -13.993 8.471 741 HD2 HIS 92 2HD HIS 92 -2.745 -16.676 5.474 742 HE1 HIS 92 1HE HIS 92 -3.757 -13.026 7.366 743 HE2 HIS 92 2HE HIS 92 -4.176 -14.533 5.395 744 H HIS 93 H HIS 93 2.967 -14.798 7.268 745 HA HIS 93 HA HIS 93 4.034 -17.143 8.689 746 1HB HIS 93 2HB HIS 93 6.313 -16.308 8.044 747 2HB HIS 93 1HB HIS 93 5.323 -16.873 6.709 748 HD1 HIS 93 1HD HIS 93 5.753 -15.499 4.732 749 HD2 HIS 93 2HD HIS 93 5.837 -13.204 8.207 750 HE1 HIS 93 1HE HIS 93 6.210 -13.136 3.981 751 HE2 HIS 93 2HE HIS 93 6.440 -11.798 6.104 752 H ILE 94 H ILE 94 2.503 -14.997 9.860 753 HA ILE 94 HA ILE 94 4.435 -14.253 11.930 754 HB ILE 94 HB ILE 94 3.186 -12.083 12.241 755 1HG1 ILE 94 2HG1 ILE 94 2.221 -12.681 9.437 756 2HG1 ILE 94 1HG1 ILE 94 1.211 -12.685 10.881 757 1HG2 ILE 94 1HG2 ILE 94 4.441 -10.899 10.494 758 2HG2 ILE 94 2HG2 ILE 94 4.756 -12.440 9.697 759 3HG2 ILE 94 3HG2 ILE 94 5.416 -12.128 11.302 760 1HD1 ILE 94 1HD1 ILE 94 1.685 -10.302 11.191 761 2HD1 ILE 94 2HD1 ILE 94 0.931 -10.635 9.631 762 3HD1 ILE 94 3HD1 ILE 94 2.665 -10.315 9.722 763 H HIS 95 H HIS 95 2.896 -13.169 13.814 764 HA HIS 95 HA HIS 95 1.095 -15.384 14.406 765 1HB HIS 95 2HB HIS 95 2.965 -14.481 15.983 766 2HB HIS 95 1HB HIS 95 1.787 -13.236 16.384 767 HD1 HIS 95 1HD HIS 95 2.302 -16.974 16.576 768 HD2 HIS 95 2HD HIS 95 -0.205 -14.028 18.124 769 HE1 HIS 95 1HE HIS 95 0.939 -18.106 18.364 770 HE2 HIS 95 2HE HIS 95 -0.413 -16.262 19.414 771 H LYS 96 H LYS 96 0.860 -11.922 15.348 772 HA LYS 96 HA LYS 96 -1.772 -11.784 14.099 773 1HB LYS 96 2HB LYS 96 -1.396 -11.478 17.079 774 2HB LYS 96 1HB LYS 96 -2.832 -10.954 16.213 775 1HG LYS 96 2HG LYS 96 -3.122 -13.334 15.464 776 2HG LYS 96 1HG LYS 96 -1.829 -13.763 16.588 777 1HD LYS 96 2HD LYS 96 -3.971 -14.114 17.651 778 2HD LYS 96 1HD LYS 96 -3.145 -12.760 18.425 779 1HE LYS 96 2HE LYS 96 -4.480 -11.194 17.091 780 2HE LYS 96 1HE LYS 96 -5.312 -12.549 16.332 781 1HZ LYS 96 1HZ LYS 96 -6.651 -11.650 18.094 782 2HZ LYS 96 2HZ LYS 96 -5.387 -11.822 19.212 783 3HZ LYS 96 3HZ LYS 96 -6.119 -13.198 18.543 784 H LYS 97 H LYS 97 0.100 -10.025 16.553 785 HA LYS 97 HA LYS 97 -1.014 -7.548 16.162 786 1HB LYS 97 2HB LYS 97 1.462 -8.573 17.378 787 2HB LYS 97 1HB LYS 97 1.469 -6.862 16.975 788 1HG LYS 97 2HG LYS 97 -0.685 -8.170 18.612 789 2HG LYS 97 1HG LYS 97 0.752 -7.413 19.304 790 1HD LYS 97 2HD LYS 97 0.104 -5.328 18.017 791 2HD LYS 97 1HD LYS 97 -1.442 -6.119 17.704 792 1HE LYS 97 2HE LYS 97 -1.956 -6.213 20.024 793 2HE LYS 97 1HE LYS 97 -0.322 -5.719 20.468 794 1HZ LYS 97 1HZ LYS 97 -1.720 -3.842 20.695 795 2HZ LYS 97 2HZ LYS 97 -2.416 -4.070 19.167 796 3HZ LYS 97 3HZ LYS 97 -0.796 -3.581 19.294 797 H ARG 98 H ARG 98 1.859 -8.855 14.544 798 HA ARG 98 HA ARG 98 2.701 -6.379 13.497 799 1HB ARG 98 2HB ARG 98 3.747 -8.940 13.616 800 2HB ARG 98 1HB ARG 98 3.528 -8.661 11.891 801 1HG ARG 98 2HG ARG 98 4.906 -6.729 11.939 802 2HG ARG 98 1HG ARG 98 4.940 -6.724 13.704 803 1HD ARG 98 2HD ARG 98 6.115 -8.898 13.645 804 2HD ARG 98 1HD ARG 98 6.158 -8.795 11.885 805 HE ARG 98 HE ARG 98 7.596 -6.863 12.106 806 1HH1 ARG 98 1HH1 ARG 98 7.084 -8.702 15.052 807 2HH1 ARG 98 2HH1 ARG 98 8.580 -8.190 15.777 808 1HH2 ARG 98 1HH2 ARG 98 9.528 -6.168 13.062 809 2HH2 ARG 98 2HH2 ARG 98 9.948 -6.710 14.660 810 H PHE 99 H PHE 99 0.361 -8.690 12.353 811 HA PHE 99 HA PHE 99 0.323 -7.812 9.639 812 1HB PHE 99 2HB PHE 99 -0.616 -10.007 10.486 813 2HB PHE 99 1HB PHE 99 -1.959 -9.093 11.162 814 HD1 PHE 99 1HD PHE 99 -3.734 -8.303 9.776 815 HD2 PHE 99 2HD PHE 99 -0.300 -10.126 8.043 816 HE1 PHE 99 1HE PHE 99 -4.905 -8.455 7.617 817 HE2 PHE 99 2HE PHE 99 -1.466 -10.278 5.883 818 HZ PHE 99 HZ PHE 99 -3.772 -9.441 5.669 819 H LYS 100 H LYS 100 -1.532 -7.014 12.528 820 HA LYS 100 HA LYS 100 -3.294 -5.186 11.231 821 1HB LYS 100 2HB LYS 100 -3.766 -6.389 13.383 822 2HB LYS 100 1HB LYS 100 -2.582 -5.359 14.164 823 1HG LYS 100 2HG LYS 100 -3.925 -3.391 13.624 824 2HG LYS 100 1HG LYS 100 -5.121 -4.425 12.839 825 1HD LYS 100 2HD LYS 100 -5.538 -5.569 14.947 826 2HD LYS 100 1HD LYS 100 -4.310 -4.584 15.740 827 1HE LYS 100 2HE LYS 100 -6.477 -3.695 16.269 828 2HE LYS 100 1HE LYS 100 -5.645 -2.566 15.201 829 1HZ LYS 100 1HZ LYS 100 -7.695 -4.539 14.330 830 2HZ LYS 100 2HZ LYS 100 -6.944 -3.372 13.351 831 3HZ LYS 100 3HZ LYS 100 -7.980 -2.889 14.599 832 H ASP 101 H ASP 101 -0.302 -4.908 13.058 833 HA ASP 101 HA ASP 101 -0.206 -2.102 13.239 834 1HB ASP 101 2HB ASP 101 1.238 -3.590 14.571 835 2HB ASP 101 1HB ASP 101 2.111 -4.046 13.114 836 H ILE 102 H ILE 102 1.344 -4.291 10.895 837 HA ILE 102 HA ILE 102 2.507 -2.321 9.291 838 HB ILE 102 HB ILE 102 1.559 -5.098 8.583 839 1HG1 ILE 102 2HG1 ILE 102 4.317 -3.930 9.043 840 2HG1 ILE 102 1HG1 ILE 102 3.429 -4.942 10.178 841 1HG2 ILE 102 1HG2 ILE 102 1.521 -3.816 6.541 842 2HG2 ILE 102 2HG2 ILE 102 2.928 -4.879 6.529 843 3HG2 ILE 102 3HG2 ILE 102 3.122 -3.161 6.880 844 1HD1 ILE 102 1HD1 ILE 102 4.399 -5.778 7.458 845 2HD1 ILE 102 2HD1 ILE 102 3.517 -6.795 8.597 846 3HD1 ILE 102 3HD1 ILE 102 5.132 -6.210 9.002 847 H THR 103 H THR 103 -0.682 -3.885 8.990 848 HA THR 103 HA THR 103 -1.531 -2.571 6.680 849 HB THR 103 HB THR 103 -3.246 -3.431 9.024 850 HG1 THR 103 1HG THR 103 -2.191 -5.241 8.325 851 1HG2 THR 103 1HG2 THR 103 -3.931 -2.978 6.117 852 2HG2 THR 103 2HG2 THR 103 -4.456 -1.990 7.480 853 3HG2 THR 103 3HG2 THR 103 -5.021 -3.653 7.327 854 H GLU 104 H GLU 104 -1.874 -1.614 10.089 855 HA GLU 104 HA GLU 104 -3.358 0.722 9.655 856 1HB GLU 104 2HB GLU 104 -3.027 -0.444 11.843 857 2HB GLU 104 1HB GLU 104 -1.386 0.183 11.881 858 1HG GLU 104 2HG GLU 104 -2.363 2.472 11.720 859 2HG GLU 104 1HG GLU 104 -3.946 1.739 11.960 860 H SER 105 H SER 105 0.134 0.251 10.129 861 HA SER 105 HA SER 105 0.863 2.949 9.995 862 1HB SER 105 2HB SER 105 2.289 0.954 10.729 863 2HB SER 105 1HB SER 105 2.613 0.690 9.015 864 HG SER 105 HG SER 105 3.718 2.570 8.915 865 H VAL 106 H VAL 106 0.506 0.542 7.409 866 HA VAL 106 HA VAL 106 1.443 2.239 5.335 867 HB VAL 106 HB VAL 106 -0.360 -0.187 5.181 868 1HG1 VAL 106 1HG1 VAL 106 0.186 -0.236 2.797 869 2HG1 VAL 106 2HG1 VAL 106 1.084 1.271 2.965 870 3HG1 VAL 106 3HG1 VAL 106 -0.661 1.253 3.215 871 1HG2 VAL 106 1HG2 VAL 106 1.670 -1.322 4.424 872 2HG2 VAL 106 2HG2 VAL 106 1.880 -0.646 6.039 873 3HG2 VAL 106 3HG2 VAL 106 2.585 0.166 4.642 874 H LEU 107 H LEU 107 -1.880 1.323 6.303 875 HA LEU 107 HA LEU 107 -3.196 2.980 4.466 876 1HB LEU 107 2HB LEU 107 -3.955 1.615 6.985 877 2HB LEU 107 1HB LEU 107 -5.021 2.876 6.413 878 HG LEU 107 HG LEU 107 -5.774 0.673 5.684 879 1HD1 LEU 107 1HD1 LEU 107 -6.004 1.155 3.297 880 2HD1 LEU 107 2HD1 LEU 107 -4.743 2.381 3.428 881 3HD1 LEU 107 3HD1 LEU 107 -6.269 2.591 4.287 882 1HD2 LEU 107 1HD2 LEU 107 -4.492 -0.628 4.058 883 2HD2 LEU 107 2HD2 LEU 107 -3.621 -0.470 5.584 884 3HD2 LEU 107 3HD2 LEU 107 -3.155 0.514 4.198 885 H TYR 108 H TYR 108 -2.055 3.639 7.742 886 HA TYR 108 HA TYR 108 -3.241 6.162 8.063 887 1HB TYR 108 2HB TYR 108 -2.154 4.895 9.896 888 2HB TYR 108 1HB TYR 108 -0.584 5.196 9.157 889 HD1 TYR 108 1HD TYR 108 0.600 7.160 9.637 890 HD2 TYR 108 2HD TYR 108 -3.509 6.899 10.696 891 HE1 TYR 108 1HE TYR 108 0.801 9.254 10.907 892 HE2 TYR 108 2HE TYR 108 -3.318 8.993 11.972 893 HH TYR 108 HH TYR 108 -0.638 11.072 11.704 894 H THR 109 H THR 109 -0.121 5.204 6.686 895 HA THR 109 HA THR 109 0.726 7.817 6.012 896 HB THR 109 HB THR 109 1.513 5.214 4.684 897 HG1 THR 109 1HG THR 109 2.058 4.974 6.808 898 1HG2 THR 109 1HG2 THR 109 3.588 6.405 4.130 899 2HG2 THR 109 2HG2 THR 109 2.931 7.875 4.852 900 3HG2 THR 109 3HG2 THR 109 2.183 7.187 3.410 901 H LEU 110 H LEU 110 -1.091 5.329 4.262 902 HA LEU 110 HA LEU 110 -1.228 6.626 1.778 903 1HB LEU 110 2HB LEU 110 -3.196 4.751 3.080 904 2HB LEU 110 1HB LEU 110 -3.244 5.226 1.394 905 HG LEU 110 HG LEU 110 -0.986 3.712 2.704 906 1HD1 LEU 110 1HD1 LEU 110 -1.778 1.803 1.422 907 2HD1 LEU 110 2HD1 LEU 110 -3.133 2.758 0.818 908 3HD1 LEU 110 3HD1 LEU 110 -3.021 2.375 2.536 909 1HD2 LEU 110 1HD2 LEU 110 -0.218 3.382 0.387 910 2HD2 LEU 110 2HD2 LEU 110 -0.201 5.078 0.871 911 3HD2 LEU 110 3HD2 LEU 110 -1.490 4.471 -0.170 912 H HIS 111 H HIS 111 -3.398 6.767 4.581 913 HA HIS 111 HA HIS 111 -5.292 8.550 3.489 914 1HB HIS 111 2HB HIS 111 -4.431 8.200 6.374 915 2HB HIS 111 1HB HIS 111 -5.857 9.086 5.855 916 HD1 HIS 111 1HD HIS 111 -6.354 6.878 7.769 917 HD2 HIS 111 2HD HIS 111 -6.186 6.206 3.668 918 HE1 HIS 111 1HE HIS 111 -7.670 4.777 7.369 919 HE2 HIS 111 2HE HIS 111 -7.780 4.553 4.864 920 H ALA 112 H ALA 112 -2.249 9.011 5.152 921 HA ALA 112 HA ALA 112 -2.334 11.796 5.493 922 1HB ALA 112 1HB ALA 112 0.072 11.625 5.837 923 2HB ALA 112 2HB ALA 112 0.067 10.004 5.142 924 3HB ALA 112 3HB ALA 112 -0.770 10.311 6.664 925 H VAL 113 H VAL 113 -1.073 9.778 2.867 926 HA VAL 113 HA VAL 113 0.003 11.989 1.406 927 HB VAL 113 HB VAL 113 -0.589 9.167 0.487 928 1HG1 VAL 113 1HG1 VAL 113 1.011 9.638 -1.326 929 2HG1 VAL 113 2HG1 VAL 113 1.082 11.321 -0.805 930 3HG1 VAL 113 3HG1 VAL 113 -0.427 10.650 -1.421 931 1HG2 VAL 113 1HG2 VAL 113 1.799 8.785 0.813 932 2HG2 VAL 113 2HG2 VAL 113 1.007 9.247 2.319 933 3HG2 VAL 113 3HG2 VAL 113 1.978 10.424 1.435 934 H LYS 114 H LYS 114 -3.018 10.222 1.431 935 HA LYS 114 HA LYS 114 -4.165 11.112 -0.934 936 1HB LYS 114 2HB LYS 114 -5.181 9.430 0.575 937 2HB LYS 114 1HB LYS 114 -5.563 10.714 1.718 938 1HG LYS 114 2HG LYS 114 -6.787 11.782 -0.318 939 2HG LYS 114 1HG LYS 114 -6.743 10.144 -0.965 940 1HD LYS 114 2HD LYS 114 -7.884 9.346 1.080 941 2HD LYS 114 1HD LYS 114 -8.001 11.021 1.632 942 1HE LYS 114 2HE LYS 114 -9.177 11.503 -0.566 943 2HE LYS 114 1HE LYS 114 -9.288 9.758 -0.775 944 1HZ LYS 114 1HZ LYS 114 -10.542 11.431 1.318 945 2HZ LYS 114 2HZ LYS 114 -10.410 9.751 1.476 946 3HZ LYS 114 3HZ LYS 114 -11.300 10.412 0.194 947 H ASP 115 H ASP 115 -4.135 12.650 2.271 948 HA ASP 115 HA ASP 115 -5.699 14.885 1.536 949 1HB ASP 115 2HB ASP 115 -5.310 14.229 3.892 950 2HB ASP 115 1HB ASP 115 -3.628 14.729 3.736 951 H GLU 116 H GLU 116 -2.191 14.420 1.700 952 HA GLU 116 HA GLU 116 -1.373 16.994 1.071 953 1HB GLU 116 2HB GLU 116 -0.017 14.438 0.198 954 2HB GLU 116 1HB GLU 116 0.738 16.012 0.383 955 1HG GLU 116 2HG GLU 116 -0.366 14.270 2.575 956 2HG GLU 116 1HG GLU 116 1.330 14.606 2.231 957 H ILE 117 H ILE 117 -2.032 14.259 -1.101 958 HA ILE 117 HA ILE 117 -1.428 15.565 -3.513 959 HB ILE 117 HB ILE 117 -3.332 13.278 -2.983 960 1HG1 ILE 117 2HG1 ILE 117 -0.480 13.317 -3.996 961 2HG1 ILE 117 1HG1 ILE 117 -0.981 12.851 -2.374 962 1HG2 ILE 117 1HG2 ILE 117 -2.215 14.272 -5.601 963 2HG2 ILE 117 2HG2 ILE 117 -3.901 14.338 -5.086 964 3HG2 ILE 117 3HG2 ILE 117 -3.130 12.780 -5.380 965 1HD1 ILE 117 1HD1 ILE 117 -0.510 10.912 -3.764 966 2HD1 ILE 117 2HD1 ILE 117 -1.732 11.434 -4.922 967 3HD1 ILE 117 3HD1 ILE 117 -2.210 10.960 -3.292 968 H ALA 118 H ALA 118 -4.504 15.187 -1.779 969 HA ALA 118 HA ALA 118 -6.030 16.631 -3.711 970 1HB ALA 118 1HB ALA 118 -6.675 15.996 -0.832 971 2HB ALA 118 2HB ALA 118 -7.054 14.984 -2.226 972 3HB ALA 118 3HB ALA 118 -7.819 16.562 -2.050 973 H ARG 119 H ARG 119 -3.913 17.564 -1.217 974 HA ARG 119 HA ARG 119 -5.113 20.175 -0.826 975 1HB ARG 119 2HB ARG 119 -4.073 18.931 1.058 976 2HB ARG 119 1HB ARG 119 -2.510 19.070 0.264 977 1HG ARG 119 2HG ARG 119 -2.781 20.737 2.030 978 2HG ARG 119 1HG ARG 119 -2.641 21.509 0.447 979 1HD ARG 119 2HD ARG 119 -5.106 21.666 0.351 980 2HD ARG 119 1HD ARG 119 -5.187 20.991 1.976 981 HE ARG 119 HE ARG 119 -3.764 23.055 2.562 982 1HH1 ARG 119 1HH1 ARG 119 -6.245 22.940 0.103 983 2HH1 ARG 119 2HH1 ARG 119 -6.680 24.616 0.263 984 1HH2 ARG 119 1HH2 ARG 119 -4.320 25.245 2.807 985 2HH2 ARG 119 2HH2 ARG 119 -5.569 25.944 1.804 986 H GLU 120 H GLU 120 -2.710 18.693 -2.785 987 HA GLU 120 HA GLU 120 -1.222 20.951 -3.548 988 1HB GLU 120 2HB GLU 120 -0.419 18.778 -4.128 989 2HB GLU 120 1HB GLU 120 -1.896 18.405 -4.994 990 1HG GLU 120 2HG GLU 120 -0.056 18.835 -6.515 991 2HG GLU 120 1HG GLU 120 -1.335 20.032 -6.705 992 H ASP 121 H ASP 121 -3.991 19.398 -5.141 993 HA ASP 121 HA ASP 121 -5.691 20.199 -6.424 994 1HB ASP 121 2HB ASP 121 -5.656 21.862 -4.373 995 2HB ASP 121 1HB ASP 121 -5.096 23.014 -5.579 996 H SER 122 H SER 122 -3.004 20.023 -7.502 997 HA SER 122 HA SER 122 -3.352 21.794 -9.810 998 1HB SER 122 2HB SER 122 -0.628 21.353 -8.580 999 2HB SER 122 1HB SER 122 -1.086 22.528 -9.811 1000 HG SER 122 HG SER 122 -1.207 22.695 -7.090 1001 H ARG 123 H ARG 123 -1.891 21.058 -11.637 1002 HA ARG 123 HA ARG 123 -0.949 19.533 -13.010 1003 1HB ARG 123 2HB ARG 123 -0.651 17.930 -10.483 1004 2HB ARG 123 1HB ARG 123 -0.146 17.323 -12.052 1005 1HG ARG 123 2HG ARG 123 1.320 19.351 -12.251 1006 2HG ARG 123 1HG ARG 123 0.935 19.698 -10.561 1007 1HD ARG 123 2HD ARG 123 1.849 17.565 -9.880 1008 2HD ARG 123 1HD ARG 123 2.139 17.120 -11.561 1009 HE ARG 123 HE ARG 123 3.610 19.155 -10.021 1010 1HH1 ARG 123 1HH1 ARG 123 3.271 17.134 -12.874 1011 2HH1 ARG 123 2HH1 ARG 123 4.906 17.396 -13.410 1012 1HH2 ARG 123 1HH2 ARG 123 5.758 19.484 -10.719 1013 2HH2 ARG 123 2HH2 ARG 123 6.323 18.739 -12.186 Start of MODEL 11 1 1H MET 1 1HT MET 1 1.350 0.813 -13.964 2 2H MET 1 2HT MET 1 2.283 1.309 -12.637 3 3H MET 1 3HT MET 1 2.582 -0.190 -13.366 4 HA MET 1 HA MET 1 4.234 1.483 -13.970 5 1HB MET 1 2HB MET 1 2.420 0.534 -16.199 6 2HB MET 1 1HB MET 1 4.049 1.157 -16.436 7 1HG MET 1 2HG MET 1 4.947 -0.680 -15.094 8 2HG MET 1 1HG MET 1 3.315 -1.295 -14.851 9 1HE MET 1 1HE MET 1 5.777 -3.014 -15.989 10 2HE MET 1 2HE MET 1 4.950 -3.922 -17.253 11 3HE MET 1 3HE MET 1 4.163 -3.667 -15.697 12 H LEU 2 H LEU 2 4.210 3.008 -16.221 13 HA LEU 2 HA LEU 2 3.656 4.984 -17.185 14 1HB LEU 2 2HB LEU 2 1.116 4.787 -15.571 15 2HB LEU 2 1HB LEU 2 1.439 6.016 -16.780 16 HG LEU 2 HG LEU 2 1.234 3.048 -17.310 17 1HD1 LEU 2 1HD1 LEU 2 -0.832 3.649 -18.487 18 2HD1 LEU 2 2HD1 LEU 2 -0.653 5.312 -17.926 19 3HD1 LEU 2 3HD1 LEU 2 -0.920 4.013 -16.763 20 1HD2 LEU 2 1HD2 LEU 2 1.285 3.705 -19.675 21 2HD2 LEU 2 2HD2 LEU 2 2.783 4.122 -18.844 22 3HD2 LEU 2 3HD2 LEU 2 1.592 5.374 -19.196 23 H SER 3 H SER 3 2.828 7.331 -16.418 24 HA SER 3 HA SER 3 4.230 7.910 -13.895 25 1HB SER 3 2HB SER 3 4.679 10.184 -15.026 26 2HB SER 3 1HB SER 3 5.611 8.797 -15.592 27 HG SER 3 HG SER 3 4.831 9.207 -17.487 28 H GLN 4 H GLN 4 3.577 10.359 -13.283 29 HA GLN 4 HA GLN 4 1.977 11.608 -12.256 30 1HB GLN 4 2HB GLN 4 0.472 10.847 -14.767 31 2HB GLN 4 1HB GLN 4 -0.143 11.989 -13.585 32 1HG GLN 4 2HG GLN 4 2.371 12.291 -15.212 33 2HG GLN 4 1HG GLN 4 0.848 13.140 -15.469 34 1HE2 GLN 4 1HE2 GLN 4 3.762 12.992 -13.667 35 2HE2 GLN 4 2HE2 GLN 4 3.525 14.434 -12.738 36 H THR 5 H THR 5 -0.971 11.038 -12.583 37 HA THR 5 HA THR 5 -2.628 9.741 -11.718 38 HB THR 5 HB THR 5 -0.743 7.389 -11.755 39 HG1 THR 5 1HG THR 5 -0.394 8.118 -13.774 40 1HG2 THR 5 1HG2 THR 5 -3.034 7.046 -10.911 41 2HG2 THR 5 2HG2 THR 5 -2.751 6.165 -12.413 42 3HG2 THR 5 3HG2 THR 5 -3.677 7.666 -12.433 43 H LEU 6 H LEU 6 -0.817 11.124 -9.978 44 HA LEU 6 HA LEU 6 0.263 9.662 -7.893 45 1HB LEU 6 2HB LEU 6 0.711 12.040 -8.313 46 2HB LEU 6 1HB LEU 6 -0.913 12.437 -7.786 47 HG LEU 6 HG LEU 6 -0.347 11.549 -5.526 48 1HD1 LEU 6 1HD1 LEU 6 2.019 11.219 -4.971 49 2HD1 LEU 6 2HD1 LEU 6 2.434 11.392 -6.676 50 3HD1 LEU 6 3HD1 LEU 6 1.443 10.035 -6.143 51 1HD2 LEU 6 1HD2 LEU 6 1.047 13.461 -4.873 52 2HD2 LEU 6 2HD2 LEU 6 -0.244 13.932 -5.979 53 3HD2 LEU 6 3HD2 LEU 6 1.409 13.766 -6.573 54 H LEU 7 H LEU 7 -3.017 10.998 -8.180 55 HA LEU 7 HA LEU 7 -3.773 10.308 -5.529 56 1HB LEU 7 2HB LEU 7 -4.896 12.073 -6.812 57 2HB LEU 7 1HB LEU 7 -5.497 10.872 -7.940 58 HG LEU 7 HG LEU 7 -6.802 9.835 -6.111 59 1HD1 LEU 7 1HD1 LEU 7 -5.850 12.202 -4.501 60 2HD1 LEU 7 2HD1 LEU 7 -5.421 10.513 -4.224 61 3HD1 LEU 7 3HD1 LEU 7 -7.089 11.047 -4.004 62 1HD2 LEU 7 1HD2 LEU 7 -8.495 11.586 -5.965 63 2HD2 LEU 7 2HD2 LEU 7 -7.829 11.483 -7.595 64 3HD2 LEU 7 3HD2 LEU 7 -7.319 12.780 -6.514 65 H GLU 8 H GLU 8 -4.534 8.838 -8.692 66 HA GLU 8 HA GLU 8 -6.089 6.743 -7.641 67 1HB GLU 8 2HB GLU 8 -6.182 7.513 -9.981 68 2HB GLU 8 1HB GLU 8 -4.575 6.855 -10.249 69 1HG GLU 8 2HG GLU 8 -5.378 4.623 -9.849 70 2HG GLU 8 1HG GLU 8 -6.982 5.244 -9.457 71 H MET 9 H MET 9 -2.644 6.958 -8.434 72 HA MET 9 HA MET 9 -2.000 4.251 -8.029 73 1HB MET 9 2HB MET 9 -0.443 5.805 -9.081 74 2HB MET 9 1HB MET 9 -0.314 6.724 -7.588 75 1HG MET 9 2HG MET 9 0.809 4.921 -6.499 76 2HG MET 9 1HG MET 9 0.524 3.849 -7.868 77 1HE MET 9 1HE MET 9 3.257 7.563 -8.142 78 2HE MET 9 2HE MET 9 2.305 7.161 -6.711 79 3HE MET 9 3HE MET 9 1.498 7.641 -8.201 80 H THR 10 H THR 10 -2.252 6.968 -5.791 81 HA THR 10 HA THR 10 -1.446 5.525 -3.477 82 HB THR 10 HB THR 10 -3.225 7.974 -3.623 83 HG1 THR 10 1HG THR 10 -1.319 8.545 -4.587 84 1HG2 THR 10 1HG2 THR 10 -1.480 6.924 -1.390 85 2HG2 THR 10 2HG2 THR 10 -3.240 6.853 -1.435 86 3HG2 THR 10 3HG2 THR 10 -2.424 8.413 -1.354 87 H GLU 11 H GLU 11 -4.636 6.427 -4.786 88 HA GLU 11 HA GLU 11 -6.282 5.248 -2.902 89 1HB GLU 11 2HB GLU 11 -6.596 5.665 -5.864 90 2HB GLU 11 1HB GLU 11 -7.878 4.947 -4.897 91 1HG GLU 11 2HG GLU 11 -6.651 7.628 -4.319 92 2HG GLU 11 1HG GLU 11 -8.095 7.397 -5.304 93 H GLN 12 H GLN 12 -4.866 3.785 -5.797 94 HA GLN 12 HA GLN 12 -6.037 1.267 -5.574 95 1HB GLN 12 2HB GLN 12 -4.780 2.090 -7.557 96 2HB GLN 12 1HB GLN 12 -3.285 1.920 -6.646 97 1HG GLN 12 2HG GLN 12 -3.600 0.053 -8.147 98 2HG GLN 12 1HG GLN 12 -3.661 -0.480 -6.469 99 1HE2 GLN 12 1HE2 GLN 12 -4.815 -2.333 -6.960 100 2HE2 GLN 12 2HE2 GLN 12 -6.480 -2.296 -7.425 101 H MET 13 H MET 13 -2.938 2.456 -4.284 102 HA MET 13 HA MET 13 -2.181 0.035 -3.058 103 1HB MET 13 2HB MET 13 -0.584 1.839 -3.470 104 2HB MET 13 1HB MET 13 -1.429 2.872 -2.324 105 1HG MET 13 2HG MET 13 -0.838 1.402 -0.503 106 2HG MET 13 1HG MET 13 -0.090 0.269 -1.622 107 1HE MET 13 1HE MET 13 2.135 0.753 -2.960 108 2HE MET 13 2HE MET 13 2.991 2.292 -2.909 109 3HE MET 13 3HE MET 13 1.393 2.196 -3.648 110 H ILE 14 H ILE 14 -4.083 2.777 -1.887 111 HA ILE 14 HA ILE 14 -4.264 1.924 0.811 112 HB ILE 14 HB ILE 14 -6.255 3.599 -0.737 113 1HG1 ILE 14 2HG1 ILE 14 -3.925 4.457 0.995 114 2HG1 ILE 14 1HG1 ILE 14 -3.982 4.558 -0.762 115 1HG2 ILE 14 1HG2 ILE 14 -5.811 3.295 2.230 116 2HG2 ILE 14 2HG2 ILE 14 -7.195 2.699 1.313 117 3HG2 ILE 14 3HG2 ILE 14 -6.925 4.435 1.473 118 1HD1 ILE 14 1HD1 ILE 14 -5.804 6.157 -0.624 119 2HD1 ILE 14 2HD1 ILE 14 -4.410 6.714 0.299 120 3HD1 ILE 14 3HD1 ILE 14 -5.802 6.027 1.134 121 H GLU 15 H GLU 15 -6.416 1.507 -1.981 122 HA GLU 15 HA GLU 15 -8.395 0.065 -0.563 123 1HB GLU 15 2HB GLU 15 -8.761 1.256 -2.725 124 2HB GLU 15 1HB GLU 15 -7.828 0.004 -3.533 125 1HG GLU 15 2HG GLU 15 -9.457 -1.662 -2.940 126 2HG GLU 15 1HG GLU 15 -10.351 -0.490 -1.975 127 H VAL 16 H VAL 16 -5.545 -0.962 -2.421 128 HA VAL 16 HA VAL 16 -6.077 -3.733 -2.293 129 HB VAL 16 HB VAL 16 -3.463 -2.236 -2.559 130 1HG1 VAL 16 1HG1 VAL 16 -3.017 -4.399 -1.504 131 2HG1 VAL 16 2HG1 VAL 16 -2.414 -4.354 -3.160 132 3HG1 VAL 16 3HG1 VAL 16 -3.909 -5.214 -2.790 133 1HG2 VAL 16 1HG2 VAL 16 -5.134 -3.795 -4.526 134 2HG2 VAL 16 2HG2 VAL 16 -3.567 -3.063 -4.871 135 3HG2 VAL 16 3HG2 VAL 16 -4.949 -2.043 -4.465 136 H ALA 17 H ALA 17 -4.589 -1.500 -0.027 137 HA ALA 17 HA ALA 17 -3.675 -3.544 1.752 138 1HB ALA 17 1HB ALA 17 -2.623 -1.328 1.675 139 2HB ALA 17 2HB ALA 17 -3.179 -1.744 3.297 140 3HB ALA 17 3HB ALA 17 -4.107 -0.612 2.309 141 H GLU 18 H GLU 18 -6.473 -1.332 1.753 142 HA GLU 18 HA GLU 18 -7.579 -2.333 4.147 143 1HB GLU 18 2HB GLU 18 -8.659 -0.710 1.862 144 2HB GLU 18 1HB GLU 18 -9.699 -1.230 3.171 145 1HG GLU 18 2HG GLU 18 -8.065 -0.149 4.752 146 2HG GLU 18 1HG GLU 18 -7.279 0.538 3.336 147 H LYS 19 H LYS 19 -8.147 -3.138 0.738 148 HA LYS 19 HA LYS 19 -10.041 -5.196 1.355 149 1HB LYS 19 2HB LYS 19 -8.515 -4.453 -1.125 150 2HB LYS 19 1HB LYS 19 -9.447 -5.941 -1.051 151 1HG LYS 19 2HG LYS 19 -11.469 -4.664 -0.588 152 2HG LYS 19 1HG LYS 19 -10.536 -3.165 -0.626 153 1HD LYS 19 2HD LYS 19 -10.056 -3.422 -2.937 154 2HD LYS 19 1HD LYS 19 -10.660 -5.080 -2.945 155 1HE LYS 19 2HE LYS 19 -12.361 -2.662 -2.370 156 2HE LYS 19 1HE LYS 19 -12.206 -3.404 -3.961 157 1HZ LYS 19 1HZ LYS 19 -13.148 -4.857 -1.549 158 2HZ LYS 19 2HZ LYS 19 -13.157 -5.415 -3.150 159 3HZ LYS 19 3HZ LYS 19 -14.182 -4.143 -2.690 160 H GLY 20 H GLY 20 -6.629 -4.943 1.394 161 1HA GLY 20 2HA GLY 20 -5.969 -7.679 1.085 162 2HA GLY 20 1HA GLY 20 -4.980 -6.465 1.880 163 H ALA 21 H ALA 21 -6.476 -5.688 3.989 164 HA ALA 21 HA ALA 21 -6.242 -7.790 5.849 165 1HB ALA 21 1HB ALA 21 -7.884 -5.269 6.092 166 2HB ALA 21 2HB ALA 21 -6.165 -5.407 6.465 167 3HB ALA 21 3HB ALA 21 -7.349 -6.302 7.418 168 H ASP 22 H ASP 22 -8.982 -6.469 4.103 169 HA ASP 22 HA ASP 22 -11.018 -8.067 5.190 170 1HB ASP 22 2HB ASP 22 -11.526 -6.109 3.863 171 2HB ASP 22 1HB ASP 22 -10.712 -6.790 2.463 172 H ARG 23 H ARG 23 -8.931 -8.557 2.369 173 HA ARG 23 HA ARG 23 -10.101 -11.021 1.587 174 1HB ARG 23 2HB ARG 23 -8.645 -9.365 0.223 175 2HB ARG 23 1HB ARG 23 -7.282 -10.221 0.925 176 1HG ARG 23 2HG ARG 23 -7.851 -11.053 -1.302 177 2HG ARG 23 1HG ARG 23 -8.036 -12.298 -0.066 178 1HD ARG 23 2HD ARG 23 -10.303 -12.361 -0.272 179 2HD ARG 23 1HD ARG 23 -10.419 -10.657 -0.707 180 HE ARG 23 HE ARG 23 -9.160 -12.228 -2.745 181 1HH1 ARG 23 1HH1 ARG 23 -12.277 -11.507 -1.342 182 2HH1 ARG 23 2HH1 ARG 23 -13.118 -11.521 -2.865 183 1HH2 ARG 23 1HH2 ARG 23 -10.263 -12.296 -4.767 184 2HH2 ARG 23 2HH2 ARG 23 -11.972 -11.964 -4.819 185 H TYR 24 H TYR 24 -7.504 -10.150 3.766 186 HA TYR 24 HA TYR 24 -6.428 -12.736 4.126 187 1HB TYR 24 2HB TYR 24 -5.174 -10.833 4.889 188 2HB TYR 24 1HB TYR 24 -6.487 -10.317 5.939 189 HD1 TYR 24 1HD TYR 24 -6.537 -10.988 8.167 190 HD2 TYR 24 2HD TYR 24 -4.050 -13.097 5.433 191 HE1 TYR 24 1HE TYR 24 -5.572 -12.258 10.035 192 HE2 TYR 24 2HE TYR 24 -3.073 -14.371 7.301 193 HH TYR 24 HH TYR 24 -2.784 -14.218 9.691 194 H GLN 25 H GLN 25 -9.146 -11.046 5.562 195 HA GLN 25 HA GLN 25 -9.709 -12.905 7.611 196 1HB GLN 25 2HB GLN 25 -10.686 -10.578 7.355 197 2HB GLN 25 1HB GLN 25 -11.739 -11.238 6.113 198 1HG GLN 25 2HG GLN 25 -12.938 -11.112 8.185 199 2HG GLN 25 1HG GLN 25 -12.669 -12.804 7.779 200 1HE2 GLN 25 1HE2 GLN 25 -12.956 -13.427 9.927 201 2HE2 GLN 25 2HE2 GLN 25 -11.754 -13.135 11.140 202 H GLU 26 H GLU 26 -10.725 -12.671 4.224 203 HA GLU 26 HA GLU 26 -12.256 -15.090 4.274 204 1HB GLU 26 2HB GLU 26 -10.994 -13.654 1.928 205 2HB GLU 26 1HB GLU 26 -12.171 -14.953 1.812 206 1HG GLU 26 2HG GLU 26 -13.795 -13.511 3.012 207 2HG GLU 26 1HG GLU 26 -12.616 -12.200 2.939 208 H GLY 27 H GLY 27 -8.906 -14.282 3.722 209 1HA GLY 27 2HA GLY 27 -8.188 -16.670 2.340 210 2HA GLY 27 1HA GLY 27 -7.089 -15.466 2.980 211 H LYS 28 H LYS 28 -9.222 -16.675 5.324 212 HA LYS 28 HA LYS 28 -7.246 -18.248 6.645 213 1HB LYS 28 2HB LYS 28 -9.058 -17.104 7.866 214 2HB LYS 28 1HB LYS 28 -10.249 -18.094 7.043 215 1HG LYS 28 2HG LYS 28 -8.142 -19.465 8.626 216 2HG LYS 28 1HG LYS 28 -9.432 -18.632 9.490 217 1HD LYS 28 2HD LYS 28 -9.821 -20.757 7.383 218 2HD LYS 28 1HD LYS 28 -9.948 -21.004 9.124 219 1HE LYS 28 2HE LYS 28 -11.648 -19.077 7.549 220 2HE LYS 28 1HE LYS 28 -12.138 -20.716 7.973 221 1HZ LYS 28 1HZ LYS 28 -12.890 -18.818 9.477 222 2HZ LYS 28 2HZ LYS 28 -11.298 -18.785 10.052 223 3HZ LYS 28 3HZ LYS 28 -12.233 -20.191 10.222 224 H ASN 29 H ASN 29 -9.669 -18.771 4.255 225 HA ASN 29 HA ASN 29 -8.948 -21.619 4.137 226 1HB ASN 29 2HB ASN 29 -11.155 -22.066 3.153 227 2HB ASN 29 1HB ASN 29 -11.319 -21.339 4.743 228 1HD2 ASN 29 1HD2 ASN 29 -13.384 -20.615 4.375 229 2HD2 ASN 29 2HD2 ASN 29 -13.750 -19.310 3.287 230 H SER 30 H SER 30 -9.487 -22.427 1.756 231 HA SER 30 HA SER 30 -8.093 -20.655 -0.065 232 1HB SER 30 2HB SER 30 -7.750 -23.169 -0.026 233 2HB SER 30 1HB SER 30 -9.369 -23.324 -0.707 234 HG SER 30 HG SER 30 -8.066 -23.283 -2.449 235 H ASN 31 H ASN 31 -9.434 -18.939 -0.357 236 HA ASN 31 HA ASN 31 -12.245 -19.192 -0.741 237 1HB ASN 31 2HB ASN 31 -11.072 -17.205 0.271 238 2HB ASN 31 1HB ASN 31 -10.522 -16.783 -1.349 239 1HD2 ASN 31 1HD2 ASN 31 -13.241 -17.006 0.795 240 2HD2 ASN 31 2HD2 ASN 31 -14.340 -16.067 -0.165 241 H HIS 32 H HIS 32 -9.498 -18.708 -2.863 242 HA HIS 32 HA HIS 32 -11.134 -19.509 -5.151 243 1HB HIS 32 2HB HIS 32 -9.405 -17.022 -5.058 244 2HB HIS 32 1HB HIS 32 -9.924 -17.771 -6.561 245 HD1 HIS 32 1HD HIS 32 -10.698 -14.872 -5.156 246 HD2 HIS 32 2HD HIS 32 -13.095 -18.210 -5.799 247 HE1 HIS 32 1HE HIS 32 -13.065 -14.020 -5.161 248 HE2 HIS 32 2HE HIS 32 -14.494 -16.086 -5.348 249 H SER 33 H SER 33 -9.125 -19.289 -7.096 250 HA SER 33 HA SER 33 -7.321 -21.380 -6.406 251 1HB SER 33 2HB SER 33 -7.291 -19.494 -8.778 252 2HB SER 33 1HB SER 33 -6.337 -20.972 -8.633 253 HG SER 33 HG SER 33 -8.594 -20.905 -9.733 254 H TYR 34 H TYR 34 -6.698 -20.081 -4.419 255 HA TYR 34 HA TYR 34 -4.674 -18.031 -4.887 256 1HB TYR 34 2HB TYR 34 -6.305 -18.935 -2.562 257 2HB TYR 34 1HB TYR 34 -4.728 -18.234 -2.217 258 HD1 TYR 34 1HD TYR 34 -6.718 -17.116 -5.099 259 HD2 TYR 34 2HD TYR 34 -5.672 -16.340 -1.048 260 HE1 TYR 34 1HE TYR 34 -7.651 -14.849 -5.298 261 HE2 TYR 34 2HE TYR 34 -6.602 -14.074 -1.236 262 HH TYR 34 HH TYR 34 -7.001 -12.414 -3.130 263 H ASP 35 H ASP 35 -4.594 -21.194 -5.084 264 HA ASP 35 HA ASP 35 -2.452 -21.872 -3.290 265 1HB ASP 35 2HB ASP 35 -4.246 -23.465 -4.136 266 2HB ASP 35 1HB ASP 35 -3.411 -23.452 -5.684 267 H PHE 36 H PHE 36 -1.486 -19.776 -4.400 268 HA PHE 36 HA PHE 36 0.307 -18.877 -5.428 269 1HB PHE 36 2HB PHE 36 1.113 -21.775 -5.556 270 2HB PHE 36 1HB PHE 36 2.157 -20.477 -6.122 271 HD1 PHE 36 1HD PHE 36 3.313 -19.065 -4.603 272 HD2 PHE 36 2HD PHE 36 0.541 -21.953 -3.163 273 HE1 PHE 36 1HE PHE 36 4.153 -18.723 -2.317 274 HE2 PHE 36 2HE PHE 36 1.372 -21.614 -0.871 275 HZ PHE 36 HZ PHE 36 3.180 -19.996 -0.444 276 H PHE 37 H PHE 37 1.753 -19.124 -7.520 277 HA PHE 37 HA PHE 37 1.974 -19.102 -9.756 278 1HB PHE 37 2HB PHE 37 1.418 -21.519 -9.509 279 2HB PHE 37 1HB PHE 37 -0.270 -21.126 -9.811 280 HD1 PHE 37 1HD PHE 37 -1.079 -21.174 -11.977 281 HD2 PHE 37 2HD PHE 37 3.108 -20.786 -11.327 282 HE1 PHE 37 1HE PHE 37 -0.687 -21.392 -14.395 283 HE2 PHE 37 2HE PHE 37 3.507 -21.002 -13.744 284 HZ PHE 37 HZ PHE 37 1.607 -21.303 -15.281 285 H GLU 38 H GLU 38 -1.531 -19.707 -9.792 286 HA GLU 38 HA GLU 38 -1.913 -17.835 -11.856 287 1HB GLU 38 2HB GLU 38 -3.913 -19.090 -9.978 288 2HB GLU 38 1HB GLU 38 -4.334 -18.181 -11.425 289 1HG GLU 38 2HG GLU 38 -3.163 -19.806 -12.804 290 2HG GLU 38 1HG GLU 38 -2.697 -20.706 -11.364 291 H THR 39 H THR 39 -2.507 -17.612 -8.376 292 HA THR 39 HA THR 39 -3.262 -14.818 -8.659 293 HB THR 39 HB THR 39 -3.088 -16.520 -6.157 294 HG1 THR 39 1HG THR 39 -4.813 -17.344 -7.168 295 1HG2 THR 39 1HG2 THR 39 -4.368 -13.821 -6.632 296 2HG2 THR 39 2HG2 THR 39 -2.919 -14.125 -5.674 297 3HG2 THR 39 3HG2 THR 39 -4.475 -14.761 -5.142 298 H ILE 40 H ILE 40 -0.539 -16.759 -7.650 299 HA ILE 40 HA ILE 40 0.759 -14.433 -6.444 300 HB ILE 40 HB ILE 40 1.757 -17.287 -6.462 301 1HG1 ILE 40 2HG1 ILE 40 -0.398 -17.157 -5.307 302 2HG1 ILE 40 1HG1 ILE 40 0.905 -17.404 -4.149 303 1HG2 ILE 40 1HG2 ILE 40 2.529 -14.922 -4.744 304 2HG2 ILE 40 2HG2 ILE 40 3.490 -15.589 -6.063 305 3HG2 ILE 40 3HG2 ILE 40 3.183 -16.553 -4.619 306 1HD1 ILE 40 1HD1 ILE 40 -0.708 -15.795 -3.317 307 2HD1 ILE 40 2HD1 ILE 40 -0.455 -14.786 -4.741 308 3HD1 ILE 40 3HD1 ILE 40 0.857 -15.027 -3.589 309 H LYS 41 H LYS 41 0.545 -13.943 -8.979 310 HA LYS 41 HA LYS 41 3.339 -13.830 -9.729 311 1HB LYS 41 2HB LYS 41 1.266 -15.143 -11.433 312 2HB LYS 41 1HB LYS 41 2.517 -14.196 -12.219 313 1HG LYS 41 2HG LYS 41 4.229 -15.590 -11.274 314 2HG LYS 41 1HG LYS 41 3.039 -16.466 -10.314 315 1HD LYS 41 2HD LYS 41 3.598 -17.829 -12.187 316 2HD LYS 41 1HD LYS 41 1.974 -17.203 -12.459 317 1HE LYS 41 2HE LYS 41 4.411 -15.877 -13.608 318 2HE LYS 41 1HE LYS 41 3.602 -17.207 -14.429 319 1HZ LYS 41 1HZ LYS 41 2.765 -15.190 -15.306 320 2HZ LYS 41 2HZ LYS 41 2.473 -14.538 -13.775 321 3HZ LYS 41 3HZ LYS 41 1.533 -15.835 -14.335 322 HA PRO 42 HA PRO 42 1.088 -10.417 -12.225 323 1HB PRO 42 2HB PRO 42 -1.742 -10.472 -11.478 324 2HB PRO 42 1HB PRO 42 -1.010 -10.488 -13.085 325 1HG PRO 42 2HG PRO 42 -2.254 -12.642 -12.052 326 2HG PRO 42 1HG PRO 42 -0.861 -12.784 -13.139 327 1HD PRO 42 2HD PRO 42 -0.971 -13.011 -10.153 328 2HD PRO 42 1HD PRO 42 -0.086 -14.007 -11.324 329 H ALA 43 H ALA 43 -0.747 -10.999 -9.228 330 HA ALA 43 HA ALA 43 -1.025 -8.341 -8.425 331 1HB ALA 43 1HB ALA 43 -0.815 -10.804 -6.695 332 2HB ALA 43 2HB ALA 43 -2.290 -10.174 -7.428 333 3HB ALA 43 3HB ALA 43 -1.454 -9.238 -6.191 334 H VAL 44 H VAL 44 1.588 -10.644 -7.878 335 HA VAL 44 HA VAL 44 3.020 -9.136 -5.974 336 HB VAL 44 HB VAL 44 4.126 -11.133 -7.959 337 1HG1 VAL 44 1HG1 VAL 44 5.860 -9.796 -6.898 338 2HG1 VAL 44 2HG1 VAL 44 5.899 -11.455 -6.294 339 3HG1 VAL 44 3HG1 VAL 44 5.194 -10.172 -5.307 340 1HG2 VAL 44 1HG2 VAL 44 3.072 -11.584 -5.169 341 2HG2 VAL 44 2HG2 VAL 44 3.811 -12.802 -6.207 342 3HG2 VAL 44 3HG2 VAL 44 2.271 -12.073 -6.662 343 H GLU 45 H GLU 45 3.259 -9.351 -9.500 344 HA GLU 45 HA GLU 45 5.501 -7.677 -9.792 345 1HB GLU 45 2HB GLU 45 3.271 -8.323 -11.728 346 2HB GLU 45 1HB GLU 45 4.785 -7.552 -12.162 347 1HG GLU 45 2HG GLU 45 6.003 -9.552 -11.400 348 2HG GLU 45 1HG GLU 45 4.457 -10.318 -11.032 349 H GLU 46 H GLU 46 2.018 -6.999 -10.068 350 HA GLU 46 HA GLU 46 2.224 -4.315 -10.784 351 1HB GLU 46 2HB GLU 46 0.104 -5.932 -9.410 352 2HB GLU 46 1HB GLU 46 -0.111 -4.242 -9.774 353 1HG GLU 46 2HG GLU 46 0.475 -6.380 -11.797 354 2HG GLU 46 1HG GLU 46 -1.119 -5.703 -11.462 355 H ASN 47 H ASN 47 1.776 -5.791 -7.574 356 HA ASN 47 HA ASN 47 1.591 -3.363 -6.176 357 1HB ASN 47 2HB ASN 47 2.264 -6.157 -5.292 358 2HB ASN 47 1HB ASN 47 2.243 -4.810 -4.158 359 1HD2 ASN 47 1HD2 ASN 47 0.545 -7.190 -4.311 360 2HD2 ASN 47 2HD2 ASN 47 -1.074 -6.608 -4.413 361 H ASP 48 H ASP 48 4.409 -5.363 -6.954 362 HA ASP 48 HA ASP 48 6.284 -3.915 -5.436 363 1HB ASP 48 2HB ASP 48 6.787 -6.107 -6.438 364 2HB ASP 48 1HB ASP 48 6.709 -5.389 -8.044 365 H GLU 49 H GLU 49 5.414 -3.634 -8.884 366 HA GLU 49 HA GLU 49 6.799 -1.353 -9.543 367 1HB GLU 49 2HB GLU 49 4.338 -2.697 -10.454 368 2HB GLU 49 1HB GLU 49 4.508 -1.011 -10.922 369 1HG GLU 49 2HG GLU 49 6.710 -2.980 -11.356 370 2HG GLU 49 1HG GLU 49 5.386 -2.791 -12.497 371 H LEU 50 H LEU 50 3.557 -1.604 -8.146 372 HA LEU 50 HA LEU 50 2.892 1.108 -8.166 373 1HB LEU 50 2HB LEU 50 1.545 -1.093 -7.561 374 2HB LEU 50 1HB LEU 50 1.997 -0.661 -5.925 375 HG LEU 50 HG LEU 50 0.945 1.610 -6.379 376 1HD1 LEU 50 1HD1 LEU 50 0.912 1.461 -8.814 377 2HD1 LEU 50 2HD1 LEU 50 -0.720 1.679 -8.175 378 3HD1 LEU 50 3HD1 LEU 50 -0.190 0.087 -8.724 379 1HD2 LEU 50 1HD2 LEU 50 -0.125 -0.060 -4.978 380 2HD2 LEU 50 2HD2 LEU 50 -0.782 -0.862 -6.402 381 3HD2 LEU 50 3HD2 LEU 50 -1.330 0.755 -5.975 382 H ALA 51 H ALA 51 4.354 -0.843 -5.564 383 HA ALA 51 HA ALA 51 4.551 1.210 -3.666 384 1HB ALA 51 1HB ALA 51 6.165 -0.218 -2.537 385 2HB ALA 51 2HB ALA 51 6.331 -1.200 -3.993 386 3HB ALA 51 3HB ALA 51 4.796 -1.158 -3.125 387 H ALA 52 H ALA 52 6.869 0.134 -6.129 388 HA ALA 52 HA ALA 52 8.959 1.873 -5.319 389 1HB ALA 52 1HB ALA 52 8.490 0.615 -8.020 390 2HB ALA 52 2HB ALA 52 9.334 -0.145 -6.668 391 3HB ALA 52 3HB ALA 52 10.007 1.296 -7.431 392 H ARG 53 H ARG 53 6.359 2.168 -7.694 393 HA ARG 53 HA ARG 53 7.297 4.609 -8.789 394 1HB ARG 53 2HB ARG 53 4.823 2.940 -9.012 395 2HB ARG 53 1HB ARG 53 4.859 4.538 -9.705 396 1HG ARG 53 2HG ARG 53 6.825 2.360 -10.343 397 2HG ARG 53 1HG ARG 53 5.414 2.759 -11.323 398 1HD ARG 53 2HD ARG 53 6.285 4.869 -11.903 399 2HD ARG 53 1HD ARG 53 7.518 4.797 -10.644 400 HE ARG 53 HE ARG 53 8.815 3.437 -11.998 401 1HH1 ARG 53 1HH1 ARG 53 5.724 4.067 -13.531 402 2HH1 ARG 53 2HH1 ARG 53 6.230 3.440 -15.073 403 1HH2 ARG 53 1HH2 ARG 53 9.472 2.644 -14.022 404 2HH2 ARG 53 2HH2 ARG 53 8.356 2.634 -15.349 405 H TRP 54 H TRP 54 4.914 3.719 -6.335 406 HA TRP 54 HA TRP 54 3.814 6.276 -5.942 407 1HB TRP 54 2HB TRP 54 2.854 4.151 -5.059 408 2HB TRP 54 1HB TRP 54 4.166 4.081 -3.889 409 HD1 TRP 54 HD TRP 54 1.206 6.389 -4.823 410 HE1 TRP 54 1HE TRP 54 0.375 7.539 -2.677 411 HE3 TRP 54 3HE TRP 54 4.688 4.587 -1.546 412 HZ2 TRP 54 2HZ TRP 54 1.106 7.668 0.047 413 HZ3 TRP 54 3HZ TRP 54 4.553 5.274 0.815 414 HH2 TRP 54 HH TRP 54 2.798 6.781 1.593 415 H ALA 55 H ALA 55 6.506 4.612 -4.361 416 HA ALA 55 HA ALA 55 7.213 6.624 -2.563 417 1HB ALA 55 1HB ALA 55 8.091 4.334 -2.480 418 2HB ALA 55 2HB ALA 55 9.379 5.535 -2.426 419 3HB ALA 55 3HB ALA 55 9.053 4.655 -3.922 420 H GLU 56 H GLU 56 8.396 6.024 -5.864 421 HA GLU 56 HA GLU 56 10.250 8.039 -6.049 422 1HB GLU 56 2HB GLU 56 9.768 6.064 -7.583 423 2HB GLU 56 1HB GLU 56 8.477 7.047 -8.272 424 1HG GLU 56 2HG GLU 56 10.127 8.774 -8.741 425 2HG GLU 56 1HG GLU 56 11.389 7.681 -8.198 426 H GLY 57 H GLY 57 6.777 8.033 -6.877 427 1HA GLY 57 2HA GLY 57 6.683 10.691 -7.833 428 2HA GLY 57 1HA GLY 57 5.306 9.763 -7.264 429 H ALA 58 H ALA 58 6.115 9.345 -4.597 430 HA ALA 58 HA ALA 58 5.325 11.776 -3.395 431 1HB ALA 58 1HB ALA 58 4.899 9.600 -2.373 432 2HB ALA 58 2HB ALA 58 5.782 10.661 -1.272 433 3HB ALA 58 3HB ALA 58 6.631 9.370 -2.126 434 H LEU 59 H LEU 59 8.468 10.310 -3.971 435 HA LEU 59 HA LEU 59 10.036 12.038 -2.421 436 1HB LEU 59 2HB LEU 59 10.581 10.435 -4.906 437 2HB LEU 59 1HB LEU 59 11.817 11.338 -4.074 438 HG LEU 59 HG LEU 59 10.207 9.116 -2.825 439 1HD1 LEU 59 1HD1 LEU 59 12.318 7.830 -2.994 440 2HD1 LEU 59 2HD1 LEU 59 12.986 9.126 -3.984 441 3HD1 LEU 59 3HD1 LEU 59 11.598 8.206 -4.560 442 1HD2 LEU 59 1HD2 LEU 59 12.677 10.557 -1.858 443 2HD2 LEU 59 2HD2 LEU 59 11.857 9.229 -1.038 444 3HD2 LEU 59 3HD2 LEU 59 11.048 10.784 -1.229 445 H GLU 60 H GLU 60 8.880 12.223 -5.748 446 HA GLU 60 HA GLU 60 10.231 14.566 -6.504 447 1HB GLU 60 2HB GLU 60 8.904 12.976 -7.991 448 2HB GLU 60 1HB GLU 60 7.456 13.787 -7.412 449 1HG GLU 60 2HG GLU 60 8.044 14.723 -9.522 450 2HG GLU 60 1HG GLU 60 8.370 15.926 -8.275 451 H LEU 61 H LEU 61 7.089 14.062 -4.953 452 HA LEU 61 HA LEU 61 6.255 16.735 -4.887 453 1HB LEU 61 2HB LEU 61 5.500 14.249 -3.485 454 2HB LEU 61 1HB LEU 61 5.067 15.740 -2.671 455 HG LEU 61 HG LEU 61 3.207 14.927 -4.003 456 1HD1 LEU 61 1HD1 LEU 61 4.483 17.385 -5.185 457 2HD1 LEU 61 2HD1 LEU 61 3.446 17.326 -3.759 458 3HD1 LEU 61 3HD1 LEU 61 2.787 16.931 -5.346 459 1HD2 LEU 61 1HD2 LEU 61 3.334 14.798 -6.430 460 2HD2 LEU 61 2HD2 LEU 61 4.470 13.678 -5.677 461 3HD2 LEU 61 3HD2 LEU 61 5.053 15.192 -6.370 462 H ILE 62 H ILE 62 7.961 14.857 -2.376 463 HA ILE 62 HA ILE 62 8.009 17.011 -0.511 464 HB ILE 62 HB ILE 62 9.603 15.655 0.768 465 1HG1 ILE 62 2HG1 ILE 62 9.499 13.755 -1.589 466 2HG1 ILE 62 1HG1 ILE 62 10.879 14.755 -1.153 467 1HG2 ILE 62 1HG2 ILE 62 8.150 13.721 1.150 468 2HG2 ILE 62 2HG2 ILE 62 7.302 14.059 -0.359 469 3HG2 ILE 62 3HG2 ILE 62 7.219 15.208 0.976 470 1HD1 ILE 62 1HD1 ILE 62 9.702 12.540 0.508 471 2HD1 ILE 62 2HD1 ILE 62 11.072 13.550 0.965 472 3HD1 ILE 62 3HD1 ILE 62 11.196 12.471 -0.425 473 H LYS 63 H LYS 63 9.943 16.260 -3.230 474 HA LYS 63 HA LYS 63 12.229 17.781 -2.339 475 1HB LYS 63 2HB LYS 63 12.909 16.065 -3.708 476 2HB LYS 63 1HB LYS 63 11.495 16.177 -4.735 477 1HG LYS 63 2HG LYS 63 13.422 18.420 -4.852 478 2HG LYS 63 1HG LYS 63 13.918 16.872 -5.548 479 1HD LYS 63 2HD LYS 63 11.596 16.922 -6.692 480 2HD LYS 63 1HD LYS 63 11.623 18.645 -6.313 481 1HE LYS 63 2HE LYS 63 13.633 18.947 -7.592 482 2HE LYS 63 1HE LYS 63 13.782 17.207 -7.846 483 1HZ LYS 63 1HZ LYS 63 12.850 18.091 -9.803 484 2HZ LYS 63 2HZ LYS 63 11.732 19.035 -8.952 485 3HZ LYS 63 3HZ LYS 63 11.566 17.340 -8.983 486 H VAL 64 H VAL 64 9.313 18.320 -4.146 487 HA VAL 64 HA VAL 64 10.238 20.920 -5.093 488 HB VAL 64 HB VAL 64 7.565 19.559 -5.471 489 1HG1 VAL 64 1HG1 VAL 64 7.339 21.976 -5.629 490 2HG1 VAL 64 2HG1 VAL 64 7.181 21.242 -7.225 491 3HG1 VAL 64 3HG1 VAL 64 8.683 22.048 -6.771 492 1HG2 VAL 64 1HG2 VAL 64 8.332 19.196 -7.782 493 2HG2 VAL 64 2HG2 VAL 64 9.328 18.348 -6.600 494 3HG2 VAL 64 3HG2 VAL 64 9.914 19.837 -7.341 495 H ARG 65 H ARG 65 7.677 19.590 -3.012 496 HA ARG 65 HA ARG 65 7.327 22.266 -1.830 497 1HB ARG 65 2HB ARG 65 5.200 20.235 -2.552 498 2HB ARG 65 1HB ARG 65 4.897 21.663 -1.569 499 1HG ARG 65 2HG ARG 65 5.277 23.119 -3.358 500 2HG ARG 65 1HG ARG 65 6.091 21.879 -4.310 501 1HD ARG 65 2HD ARG 65 3.889 22.310 -5.213 502 2HD ARG 65 1HD ARG 65 3.961 20.683 -4.543 503 HE ARG 65 HE ARG 65 2.594 21.400 -2.730 504 1HH1 ARG 65 1HH1 ARG 65 3.027 23.842 -5.218 505 2HH1 ARG 65 2HH1 ARG 65 1.584 24.713 -4.778 506 1HH2 ARG 65 1HH2 ARG 65 0.704 22.531 -2.177 507 2HH2 ARG 65 2HH2 ARG 65 0.270 23.968 -3.056 508 H ARG 66 H ARG 66 5.710 21.767 0.249 509 HA ARG 66 HA ARG 66 7.234 19.806 1.822 510 1HB ARG 66 2HB ARG 66 6.036 22.452 2.499 511 2HB ARG 66 1HB ARG 66 6.151 21.234 3.760 512 1HG ARG 66 2HG ARG 66 8.585 21.075 3.313 513 2HG ARG 66 1HG ARG 66 8.415 22.406 2.165 514 1HD ARG 66 2HD ARG 66 7.777 23.916 3.860 515 2HD ARG 66 1HD ARG 66 7.514 22.617 5.021 516 HE ARG 66 HE ARG 66 10.207 22.563 4.223 517 1HH1 ARG 66 1HH1 ARG 66 7.988 24.614 5.999 518 2HH1 ARG 66 2HH1 ARG 66 9.205 25.248 7.060 519 1HH2 ARG 66 1HH2 ARG 66 11.829 23.408 5.623 520 2HH2 ARG 66 2HH2 ARG 66 11.383 24.553 6.859 521 HA PRO 67 HA PRO 67 3.408 17.597 2.406 522 1HB PRO 67 2HB PRO 67 4.736 16.121 4.524 523 2HB PRO 67 1HB PRO 67 4.253 15.559 2.923 524 1HG PRO 67 2HG PRO 67 6.852 15.865 3.689 525 2HG PRO 67 1HG PRO 67 6.302 15.999 2.010 526 1HD PRO 67 2HD PRO 67 6.943 18.162 3.975 527 2HD PRO 67 1HD PRO 67 7.299 18.077 2.238 528 H LYS 68 H LYS 68 1.998 17.024 4.279 529 HA LYS 68 HA LYS 68 2.201 19.130 6.335 530 1HB LYS 68 2HB LYS 68 0.301 19.355 4.747 531 2HB LYS 68 1HB LYS 68 -0.297 17.791 5.279 532 1HG LYS 68 2HG LYS 68 -1.536 19.536 6.366 533 2HG LYS 68 1HG LYS 68 -0.545 18.701 7.563 534 1HD LYS 68 2HD LYS 68 1.113 20.496 7.449 535 2HD LYS 68 1HD LYS 68 0.137 21.325 6.233 536 1HE LYS 68 2HE LYS 68 -1.689 21.533 7.848 537 2HE LYS 68 1HE LYS 68 -0.712 20.707 9.059 538 1HZ LYS 68 1HZ LYS 68 0.093 23.256 7.763 539 2HZ LYS 68 2HZ LYS 68 0.813 22.514 9.108 540 3HZ LYS 68 3HZ LYS 68 -0.745 23.173 9.233 541 H TYR 69 H TYR 69 1.558 15.727 5.709 542 HA TYR 69 HA TYR 69 1.617 15.270 8.622 543 1HB TYR 69 2HB TYR 69 -0.118 13.836 6.604 544 2HB TYR 69 1HB TYR 69 0.039 13.381 8.299 545 HD1 TYR 69 1HD TYR 69 -0.539 15.271 10.024 546 HD2 TYR 69 2HD TYR 69 -1.821 15.262 5.968 547 HE1 TYR 69 1HE TYR 69 -2.360 16.818 10.605 548 HE2 TYR 69 2HE TYR 69 -3.645 16.811 6.535 549 HH TYR 69 HH TYR 69 -3.763 18.530 9.417 550 H VAL 70 H VAL 70 1.797 13.430 5.556 551 HA VAL 70 HA VAL 70 3.262 11.279 6.526 552 HB VAL 70 HB VAL 70 2.175 11.324 4.312 553 1HG1 VAL 70 1HG1 VAL 70 2.855 13.563 3.604 554 2HG1 VAL 70 2HG1 VAL 70 3.278 12.348 2.396 555 3HG1 VAL 70 3HG1 VAL 70 4.522 13.009 3.456 556 1HG2 VAL 70 1HG2 VAL 70 3.880 10.040 3.109 557 2HG2 VAL 70 2HG2 VAL 70 3.814 9.594 4.813 558 3HG2 VAL 70 3HG2 VAL 70 5.109 10.634 4.225 559 H HIS 71 H HIS 71 5.408 10.724 6.645 560 HA HIS 71 HA HIS 71 7.351 12.924 6.353 561 1HB HIS 71 2HB HIS 71 6.864 11.845 8.689 562 2HB HIS 71 1HB HIS 71 7.836 10.509 8.080 563 HD1 HIS 71 1HD HIS 71 8.551 14.192 7.535 564 HD2 HIS 71 2HD HIS 71 10.100 10.912 9.572 565 HE1 HIS 71 1HE HIS 71 10.755 14.954 8.476 566 HE2 HIS 71 2HE HIS 71 11.764 12.893 9.517 567 H LYS 72 H LYS 72 9.439 12.334 5.445 568 HA LYS 72 HA LYS 72 8.993 10.829 3.116 569 1HB LYS 72 2HB LYS 72 11.442 11.204 2.670 570 2HB LYS 72 1HB LYS 72 10.469 12.644 2.921 571 1HG LYS 72 2HG LYS 72 11.326 12.869 5.171 572 2HG LYS 72 1HG LYS 72 12.233 11.365 5.002 573 1HD LYS 72 2HD LYS 72 13.674 13.313 4.685 574 2HD LYS 72 1HD LYS 72 13.556 12.360 3.205 575 1HE LYS 72 2HE LYS 72 11.799 13.942 2.412 576 2HE LYS 72 1HE LYS 72 12.116 14.934 3.835 577 1HZ LYS 72 1HZ LYS 72 14.362 15.283 3.097 578 2HZ LYS 72 2HZ LYS 72 13.304 15.700 1.837 579 3HZ LYS 72 3HZ LYS 72 14.149 14.228 1.784 580 H GLU 73 H GLU 73 10.815 9.989 6.059 581 HA GLU 73 HA GLU 73 11.854 7.577 4.998 582 1HB GLU 73 2HB GLU 73 11.300 8.264 7.887 583 2HB GLU 73 1HB GLU 73 12.310 6.941 7.320 584 1HG GLU 73 2HG GLU 73 13.953 8.427 7.674 585 2HG GLU 73 1HG GLU 73 13.503 8.979 6.060 586 H GLN 74 H GLN 74 8.799 8.382 6.454 587 HA GLN 74 HA GLN 74 7.853 5.797 6.998 588 1HB GLN 74 2HB GLN 74 6.427 8.360 6.278 589 2HB GLN 74 1HB GLN 74 5.571 6.889 6.704 590 1HG GLN 74 2HG GLN 74 7.555 8.283 8.477 591 2HG GLN 74 1HG GLN 74 5.808 8.498 8.563 592 1HE2 GLN 74 1HE2 GLN 74 5.703 7.743 10.655 593 2HE2 GLN 74 2HE2 GLN 74 5.900 6.070 11.049 594 H ILE 75 H ILE 75 7.958 7.722 4.080 595 HA ILE 75 HA ILE 75 6.265 6.154 2.470 596 HB ILE 75 HB ILE 75 8.610 7.868 1.622 597 1HG1 ILE 75 2HG1 ILE 75 5.679 8.581 1.855 598 2HG1 ILE 75 1HG1 ILE 75 6.908 9.020 3.036 599 1HG2 ILE 75 1HG2 ILE 75 6.211 6.904 0.065 600 2HG2 ILE 75 2HG2 ILE 75 7.878 6.376 -0.155 601 3HG2 ILE 75 3HG2 ILE 75 7.426 8.039 -0.524 602 1HD1 ILE 75 1HD1 ILE 75 6.803 9.911 0.164 603 2HD1 ILE 75 2HD1 ILE 75 8.056 10.341 1.327 604 3HD1 ILE 75 3HD1 ILE 75 6.396 10.880 1.580 605 H GLU 76 H GLU 76 9.760 6.042 3.060 606 HA GLU 76 HA GLU 76 10.296 3.948 1.213 607 1HB GLU 76 2HB GLU 76 11.857 4.800 3.662 608 2HB GLU 76 1HB GLU 76 12.454 3.737 2.395 609 1HG GLU 76 2HG GLU 76 12.305 5.537 0.778 610 2HG GLU 76 1HG GLU 76 11.622 6.602 2.005 611 H ALA 77 H ALA 77 9.388 4.065 4.602 612 HA ALA 77 HA ALA 77 9.807 1.333 5.205 613 1HB ALA 77 1HB ALA 77 7.862 3.270 6.458 614 2HB ALA 77 2HB ALA 77 9.547 3.054 6.933 615 3HB ALA 77 3HB ALA 77 8.394 1.737 7.151 616 H VAL 78 H VAL 78 6.979 3.147 4.089 617 HA VAL 78 HA VAL 78 5.089 1.102 4.131 618 HB VAL 78 HB VAL 78 5.320 3.453 2.241 619 1HG1 VAL 78 1HG1 VAL 78 2.973 3.083 1.681 620 2HG1 VAL 78 2HG1 VAL 78 2.953 1.631 2.684 621 3HG1 VAL 78 3HG1 VAL 78 3.949 1.685 1.229 622 1HG2 VAL 78 1HG2 VAL 78 5.044 4.033 4.600 623 2HG2 VAL 78 2HG2 VAL 78 3.614 3.004 4.687 624 3HG2 VAL 78 3HG2 VAL 78 3.605 4.442 3.668 625 H LYS 79 H LYS 79 7.412 1.965 1.592 626 HA LYS 79 HA LYS 79 6.485 0.290 -0.421 627 1HB LYS 79 2HB LYS 79 8.224 1.995 -0.756 628 2HB LYS 79 1HB LYS 79 9.354 1.025 0.180 629 1HG LYS 79 2HG LYS 79 9.131 -0.779 -1.499 630 2HG LYS 79 1HG LYS 79 8.102 0.286 -2.456 631 1HD LYS 79 2HD LYS 79 9.931 1.887 -2.661 632 2HD LYS 79 1HD LYS 79 10.961 0.852 -1.668 633 1HE LYS 79 2HE LYS 79 9.798 0.180 -4.370 634 2HE LYS 79 1HE LYS 79 11.487 0.534 -4.012 635 1HZ LYS 79 1HZ LYS 79 9.966 -1.768 -2.918 636 2HZ LYS 79 2HZ LYS 79 11.604 -1.447 -2.656 637 3HZ LYS 79 3HZ LYS 79 11.053 -1.855 -4.213 638 H ASP 80 H ASP 80 8.887 -0.425 2.109 639 HA ASP 80 HA ASP 80 9.327 -3.108 1.227 640 1HB ASP 80 2HB ASP 80 10.942 -1.698 2.580 641 2HB ASP 80 1HB ASP 80 9.907 -1.986 3.974 642 H ASN 81 H ASN 81 7.364 -1.615 3.745 643 HA ASN 81 HA ASN 81 6.520 -4.044 4.941 644 1HB ASN 81 2HB ASN 81 5.543 -1.209 5.089 645 2HB ASN 81 1HB ASN 81 4.677 -2.506 5.900 646 1HD2 ASN 81 1HD2 ASN 81 6.091 -0.202 7.015 647 2HD2 ASN 81 2HD2 ASN 81 7.277 -0.852 8.093 648 H PHE 82 H PHE 82 5.222 -2.092 2.327 649 HA PHE 82 HA PHE 82 2.663 -3.296 2.221 650 1HB PHE 82 2HB PHE 82 3.266 -1.141 1.118 651 2HB PHE 82 1HB PHE 82 4.228 -2.043 -0.047 652 HD1 PHE 82 1HD PHE 82 0.763 -1.858 1.302 653 HD2 PHE 82 2HD PHE 82 3.268 -2.682 -2.038 654 HE1 PHE 82 1HE PHE 82 -1.228 -2.134 -0.117 655 HE2 PHE 82 2HE PHE 82 1.282 -2.959 -3.463 656 HZ PHE 82 HZ PHE 82 -0.970 -2.686 -2.502 657 H LEU 83 H LEU 83 5.739 -4.044 0.665 658 HA LEU 83 HA LEU 83 4.770 -6.170 -0.935 659 1HB LEU 83 2HB LEU 83 7.527 -5.553 0.125 660 2HB LEU 83 1HB LEU 83 7.191 -6.867 -0.989 661 HG LEU 83 HG LEU 83 6.690 -3.944 -1.564 662 1HD1 LEU 83 1HD1 LEU 83 8.883 -5.776 -2.524 663 2HD1 LEU 83 2HD1 LEU 83 9.071 -4.409 -1.425 664 3HD1 LEU 83 3HD1 LEU 83 8.587 -4.134 -3.098 665 1HD2 LEU 83 1HD2 LEU 83 6.522 -6.373 -3.343 666 2HD2 LEU 83 2HD2 LEU 83 6.315 -4.697 -3.853 667 3HD2 LEU 83 3HD2 LEU 83 5.158 -5.429 -2.742 668 H GLU 84 H GLU 84 5.988 -5.966 2.346 669 HA GLU 84 HA GLU 84 6.095 -8.787 2.761 670 1HB GLU 84 2HB GLU 84 7.396 -7.007 4.021 671 2HB GLU 84 1HB GLU 84 5.904 -6.653 4.879 672 1HG GLU 84 2HG GLU 84 5.869 -8.763 5.912 673 2HG GLU 84 1HG GLU 84 7.100 -9.402 4.820 674 H LEU 85 H LEU 85 3.711 -6.269 3.255 675 HA LEU 85 HA LEU 85 1.795 -7.605 4.757 676 1HB LEU 85 2HB LEU 85 1.770 -5.198 4.068 677 2HB LEU 85 1HB LEU 85 1.307 -5.699 2.459 678 HG LEU 85 HG LEU 85 -0.423 -6.430 4.802 679 1HD1 LEU 85 1HD1 LEU 85 0.008 -4.022 4.972 680 2HD1 LEU 85 2HD1 LEU 85 -1.658 -4.356 4.497 681 3HD1 LEU 85 3HD1 LEU 85 -0.485 -3.822 3.291 682 1HD2 LEU 85 1HD2 LEU 85 -1.025 -5.811 1.907 683 2HD2 LEU 85 2HD2 LEU 85 -2.179 -6.360 3.123 684 3HD2 LEU 85 3HD2 LEU 85 -0.880 -7.429 2.593 685 H VAL 86 H VAL 86 2.131 -7.466 1.223 686 HA VAL 86 HA VAL 86 0.078 -9.271 0.590 687 HB VAL 86 HB VAL 86 2.638 -8.802 -0.954 688 1HG1 VAL 86 1HG1 VAL 86 1.346 -9.497 -2.907 689 2HG1 VAL 86 2HG1 VAL 86 -0.049 -9.821 -1.877 690 3HG1 VAL 86 3HG1 VAL 86 1.421 -10.782 -1.700 691 1HG2 VAL 86 1HG2 VAL 86 1.509 -6.699 -0.512 692 2HG2 VAL 86 2HG2 VAL 86 -0.013 -7.365 -1.107 693 3HG2 VAL 86 3HG2 VAL 86 1.342 -7.133 -2.214 694 H LEU 87 H LEU 87 3.498 -9.757 1.274 695 HA LEU 87 HA LEU 87 3.707 -12.473 0.670 696 1HB LEU 87 2HB LEU 87 5.621 -10.988 1.093 697 2HB LEU 87 1HB LEU 87 5.173 -10.891 2.785 698 HG LEU 87 HG LEU 87 5.564 -13.359 2.963 699 1HD1 LEU 87 1HD1 LEU 87 6.698 -12.992 0.192 700 2HD1 LEU 87 2HD1 LEU 87 5.292 -13.962 0.630 701 3HD1 LEU 87 3HD1 LEU 87 6.896 -14.429 1.195 702 1HD2 LEU 87 1HD2 LEU 87 7.990 -13.168 3.027 703 2HD2 LEU 87 2HD2 LEU 87 7.234 -11.711 3.670 704 3HD2 LEU 87 3HD2 LEU 87 7.915 -11.707 2.044 705 H GLN 88 H GLN 88 3.232 -10.975 3.875 706 HA GLN 88 HA GLN 88 3.052 -13.284 5.388 707 1HB GLN 88 2HB GLN 88 1.549 -10.698 5.825 708 2HB GLN 88 1HB GLN 88 1.784 -11.949 7.033 709 1HG GLN 88 2HG GLN 88 4.194 -11.562 6.969 710 2HG GLN 88 1HG GLN 88 3.956 -10.311 5.747 711 1HE2 GLN 88 1HE2 GLN 88 5.130 -10.072 8.400 712 2HE2 GLN 88 2HE2 GLN 88 4.174 -8.894 9.234 713 H SER 89 H SER 89 0.501 -11.574 3.669 714 HA SER 89 HA SER 89 -1.708 -12.936 4.683 715 1HB SER 89 2HB SER 89 -1.374 -11.776 1.910 716 2HB SER 89 1HB SER 89 -2.900 -12.092 2.733 717 HG SER 89 HG SER 89 -0.950 -10.129 3.286 718 H TYR 90 H TYR 90 0.118 -13.570 1.684 719 HA TYR 90 HA TYR 90 -1.637 -15.760 1.063 720 1HB TYR 90 2HB TYR 90 0.697 -14.512 -0.361 721 2HB TYR 90 1HB TYR 90 -0.072 -15.985 -0.953 722 HD1 TYR 90 1HD TYR 90 -0.313 -12.382 -0.719 723 HD2 TYR 90 2HD TYR 90 -2.496 -15.934 -1.551 724 HE1 TYR 90 1HE TYR 90 -2.069 -11.041 -1.805 725 HE2 TYR 90 2HE TYR 90 -4.248 -14.610 -2.648 726 HH TYR 90 HH TYR 90 -3.877 -11.401 -3.545 727 H VAL 91 H VAL 91 1.668 -15.455 2.302 728 HA VAL 91 HA VAL 91 2.055 -18.327 1.993 729 HB VAL 91 HB VAL 91 4.286 -18.027 2.821 730 1HG1 VAL 91 1HG1 VAL 91 3.872 -17.446 0.497 731 2HG1 VAL 91 2HG1 VAL 91 5.163 -16.458 1.179 732 3HG1 VAL 91 3HG1 VAL 91 3.551 -15.775 0.964 733 1HG2 VAL 91 1HG2 VAL 91 5.141 -15.870 3.584 734 2HG2 VAL 91 2HG2 VAL 91 3.838 -16.447 4.624 735 3HG2 VAL 91 3HG2 VAL 91 3.526 -15.175 3.442 736 H HIS 92 H HIS 92 0.601 -16.321 4.188 737 HA HIS 92 HA HIS 92 -0.308 -16.620 6.242 738 1HB HIS 92 2HB HIS 92 0.231 -19.529 5.610 739 2HB HIS 92 1HB HIS 92 -0.762 -18.964 6.948 740 HD1 HIS 92 1HD HIS 92 -1.160 -20.295 3.728 741 HD2 HIS 92 2HD HIS 92 -2.888 -17.080 5.716 742 HE1 HIS 92 1HE HIS 92 -3.356 -19.878 2.567 743 HE2 HIS 92 2HE HIS 92 -4.475 -18.066 3.922 744 H HIS 93 H HIS 93 2.556 -16.141 6.056 745 HA HIS 93 HA HIS 93 3.779 -17.721 8.148 746 1HB HIS 93 2HB HIS 93 5.049 -16.889 6.159 747 2HB HIS 93 1HB HIS 93 4.850 -15.252 6.767 748 HD1 HIS 93 1HD HIS 93 6.323 -18.549 8.006 749 HD2 HIS 93 2HD HIS 93 6.929 -14.440 8.288 750 HE1 HIS 93 1HE HIS 93 8.444 -18.264 9.326 751 HE2 HIS 93 2HE HIS 93 8.915 -15.787 9.267 752 H ILE 94 H ILE 94 1.727 -15.107 8.038 753 HA ILE 94 HA ILE 94 2.659 -13.997 10.579 754 HB ILE 94 HB ILE 94 1.974 -12.424 8.773 755 1HG1 ILE 94 2HG1 ILE 94 0.534 -11.005 10.206 756 2HG1 ILE 94 1HG1 ILE 94 0.273 -12.382 11.271 757 1HG2 ILE 94 1HG2 ILE 94 0.192 -13.741 7.768 758 2HG2 ILE 94 2HG2 ILE 94 -0.393 -12.143 8.237 759 3HG2 ILE 94 3HG2 ILE 94 -0.783 -13.550 9.226 760 1HD1 ILE 94 1HD1 ILE 94 1.951 -10.871 12.162 761 2HD1 ILE 94 2HD1 ILE 94 2.920 -11.074 10.703 762 3HD1 ILE 94 3HD1 ILE 94 2.651 -12.442 11.781 763 H HIS 95 H HIS 95 1.375 -14.098 12.463 764 HA HIS 95 HA HIS 95 -0.322 -16.432 12.517 765 1HB HIS 95 2HB HIS 95 1.402 -15.731 14.326 766 2HB HIS 95 1HB HIS 95 0.135 -14.645 14.890 767 HD1 HIS 95 1HD HIS 95 -0.990 -15.688 16.856 768 HD2 HIS 95 2HD HIS 95 -0.004 -18.499 13.949 769 HE1 HIS 95 1HE HIS 95 -1.872 -17.883 17.705 770 HE2 HIS 95 2HE HIS 95 -1.112 -19.595 16.019 771 H LYS 96 H LYS 96 -0.854 -13.180 13.958 772 HA LYS 96 HA LYS 96 -3.502 -13.092 12.752 773 1HB LYS 96 2HB LYS 96 -3.072 -13.364 15.719 774 2HB LYS 96 1HB LYS 96 -4.517 -12.621 15.064 775 1HG LYS 96 2HG LYS 96 -3.729 -15.358 14.170 776 2HG LYS 96 1HG LYS 96 -4.514 -15.133 15.731 777 1HD LYS 96 2HD LYS 96 -6.323 -15.515 14.345 778 2HD LYS 96 1HD LYS 96 -6.247 -13.755 14.353 779 1HE LYS 96 2HE LYS 96 -6.593 -14.495 12.101 780 2HE LYS 96 1HE LYS 96 -4.957 -13.856 12.235 781 1HZ LYS 96 1HZ LYS 96 -5.153 -15.981 10.976 782 2HZ LYS 96 2HZ LYS 96 -5.595 -16.751 12.424 783 3HZ LYS 96 3HZ LYS 96 -4.065 -16.034 12.274 784 H LYS 97 H LYS 97 -2.042 -11.538 15.591 785 HA LYS 97 HA LYS 97 -3.324 -9.101 15.210 786 1HB LYS 97 2HB LYS 97 -2.503 -9.717 17.368 787 2HB LYS 97 1HB LYS 97 -0.850 -9.806 16.777 788 1HG LYS 97 2HG LYS 97 -1.017 -7.335 16.295 789 2HG LYS 97 1HG LYS 97 -2.530 -7.352 17.201 790 1HD LYS 97 2HD LYS 97 0.142 -8.252 18.272 791 2HD LYS 97 1HD LYS 97 -0.590 -6.675 18.573 792 1HE LYS 97 2HE LYS 97 -2.464 -7.724 19.686 793 2HE LYS 97 1HE LYS 97 -1.825 -9.324 19.320 794 1HZ LYS 97 1HZ LYS 97 -0.401 -7.309 20.974 795 2HZ LYS 97 2HZ LYS 97 0.025 -8.933 20.744 796 3HZ LYS 97 3HZ LYS 97 -1.383 -8.540 21.609 797 H ARG 98 H ARG 98 0.093 -9.888 14.524 798 HA ARG 98 HA ARG 98 0.927 -7.283 14.125 799 1HB ARG 98 2HB ARG 98 1.998 -9.928 13.300 800 2HB ARG 98 1HB ARG 98 2.704 -8.485 12.582 801 1HG ARG 98 2HG ARG 98 3.110 -7.614 14.869 802 2HG ARG 98 1HG ARG 98 2.537 -9.157 15.507 803 1HD ARG 98 2HD ARG 98 4.341 -10.336 14.593 804 2HD ARG 98 1HD ARG 98 4.753 -9.023 13.490 805 HE ARG 98 HE ARG 98 5.086 -7.926 15.956 806 1HH1 ARG 98 1HH1 ARG 98 6.314 -10.820 14.419 807 2HH1 ARG 98 2HH1 ARG 98 7.845 -10.775 15.237 808 1HH2 ARG 98 1HH2 ARG 98 7.106 -7.829 17.015 809 2HH2 ARG 98 2HH2 ARG 98 8.293 -9.069 16.729 810 H PHE 99 H PHE 99 -0.460 -9.491 11.735 811 HA PHE 99 HA PHE 99 0.241 -8.036 9.454 812 1HB PHE 99 2HB PHE 99 -0.592 -10.271 9.200 813 2HB PHE 99 1HB PHE 99 -2.125 -9.844 9.958 814 HD1 PHE 99 1HD PHE 99 -3.918 -9.258 8.636 815 HD2 PHE 99 2HD PHE 99 0.014 -8.959 7.045 816 HE1 PHE 99 1HE PHE 99 -4.854 -8.665 6.446 817 HE2 PHE 99 2HE PHE 99 -0.915 -8.365 4.849 818 HZ PHE 99 HZ PHE 99 -3.355 -8.215 4.547 819 H LYS 100 H LYS 100 -2.775 -7.918 11.347 820 HA LYS 100 HA LYS 100 -3.953 -5.967 9.673 821 1HB LYS 100 2HB LYS 100 -4.656 -6.882 12.464 822 2HB LYS 100 1HB LYS 100 -5.625 -5.753 11.531 823 1HG LYS 100 2HG LYS 100 -5.821 -7.491 9.755 824 2HG LYS 100 1HG LYS 100 -5.013 -8.617 10.844 825 1HD LYS 100 2HD LYS 100 -6.817 -8.328 12.479 826 2HD LYS 100 1HD LYS 100 -7.622 -7.193 11.393 827 1HE LYS 100 2HE LYS 100 -7.794 -8.990 9.702 828 2HE LYS 100 1HE LYS 100 -7.062 -10.108 10.849 829 1HZ LYS 100 1HZ LYS 100 -9.657 -8.695 11.191 830 2HZ LYS 100 2HZ LYS 100 -8.944 -9.712 12.347 831 3HZ LYS 100 3HZ LYS 100 -9.449 -10.344 10.855 832 H ASP 101 H ASP 101 -2.060 -5.762 12.632 833 HA ASP 101 HA ASP 101 -2.448 -2.973 13.072 834 1HB ASP 101 2HB ASP 101 -1.559 -4.461 14.820 835 2HB ASP 101 1HB ASP 101 -0.116 -4.747 13.858 836 H ILE 102 H ILE 102 0.143 -4.806 11.452 837 HA ILE 102 HA ILE 102 1.652 -2.619 10.567 838 HB ILE 102 HB ILE 102 1.235 -5.312 9.253 839 1HG1 ILE 102 2HG1 ILE 102 3.543 -4.210 10.873 840 2HG1 ILE 102 1HG1 ILE 102 2.316 -5.320 11.478 841 1HG2 ILE 102 1HG2 ILE 102 3.207 -4.831 7.896 842 2HG2 ILE 102 2HG2 ILE 102 3.286 -3.206 8.577 843 3HG2 ILE 102 3HG2 ILE 102 1.915 -3.674 7.571 844 1HD1 ILE 102 1HD1 ILE 102 3.061 -6.996 9.858 845 2HD1 ILE 102 2HD1 ILE 102 4.356 -6.501 10.945 846 3HD1 ILE 102 3HD1 ILE 102 4.308 -5.886 9.293 847 H THR 103 H THR 103 -1.044 -4.298 8.984 848 HA THR 103 HA THR 103 -1.224 -2.758 6.679 849 HB THR 103 HB THR 103 -3.540 -3.921 8.244 850 HG1 THR 103 1HG THR 103 -1.960 -5.509 7.777 851 1HG2 THR 103 1HG2 THR 103 -3.263 -3.287 5.304 852 2HG2 THR 103 2HG2 THR 103 -4.232 -2.383 6.464 853 3HG2 THR 103 3HG2 THR 103 -4.656 -4.047 6.071 854 H GLU 104 H GLU 104 -2.827 -2.264 9.820 855 HA GLU 104 HA GLU 104 -4.154 0.125 9.171 856 1HB GLU 104 2HB GLU 104 -3.344 -1.220 11.716 857 2HB GLU 104 1HB GLU 104 -4.009 0.400 11.781 858 1HG GLU 104 2HG GLU 104 -5.359 -1.981 10.528 859 2HG GLU 104 1HG GLU 104 -5.697 -1.355 12.139 860 H SER 105 H SER 105 -0.927 -0.441 10.490 861 HA SER 105 HA SER 105 -0.294 2.248 11.042 862 1HB SER 105 2HB SER 105 1.014 0.294 11.874 863 2HB SER 105 1HB SER 105 1.598 0.019 10.235 864 HG SER 105 HG SER 105 2.179 2.470 10.589 865 H VAL 106 H VAL 106 0.027 0.277 8.126 866 HA VAL 106 HA VAL 106 1.295 2.310 6.571 867 HB VAL 106 HB VAL 106 -0.268 -0.121 5.672 868 1HG1 VAL 106 1HG1 VAL 106 -0.118 1.571 3.917 869 2HG1 VAL 106 2HG1 VAL 106 0.858 0.154 3.530 870 3HG1 VAL 106 3HG1 VAL 106 1.634 1.626 4.117 871 1HG2 VAL 106 1HG2 VAL 106 1.913 -1.160 5.345 872 2HG2 VAL 106 2HG2 VAL 106 1.687 -0.686 7.029 873 3HG2 VAL 106 3HG2 VAL 106 2.706 0.288 5.968 874 H LEU 107 H LEU 107 -2.050 1.178 6.938 875 HA LEU 107 HA LEU 107 -3.261 2.825 5.034 876 1HB LEU 107 2HB LEU 107 -4.329 1.683 7.608 877 2HB LEU 107 1HB LEU 107 -5.330 2.525 6.440 878 HG LEU 107 HG LEU 107 -3.765 0.012 5.868 879 1HD1 LEU 107 1HD1 LEU 107 -5.575 -0.419 7.435 880 2HD1 LEU 107 2HD1 LEU 107 -5.952 -1.093 5.850 881 3HD1 LEU 107 3HD1 LEU 107 -6.709 0.411 6.369 882 1HD2 LEU 107 1HD2 LEU 107 -5.787 1.546 4.237 883 2HD2 LEU 107 2HD2 LEU 107 -5.114 -0.026 3.808 884 3HD2 LEU 107 3HD2 LEU 107 -4.063 1.387 3.894 885 H TYR 108 H TYR 108 -2.538 3.425 8.439 886 HA TYR 108 HA TYR 108 -3.723 5.919 8.748 887 1HB TYR 108 2HB TYR 108 -2.679 4.683 10.593 888 2HB TYR 108 1HB TYR 108 -1.089 4.944 9.888 889 HD1 TYR 108 1HD TYR 108 -3.927 6.577 11.587 890 HD2 TYR 108 2HD TYR 108 0.067 7.022 10.183 891 HE1 TYR 108 1HE TYR 108 -3.713 8.666 12.866 892 HE2 TYR 108 2HE TYR 108 0.289 9.110 11.462 893 HH TYR 108 HH TYR 108 -1.863 10.038 13.873 894 H THR 109 H THR 109 -0.526 5.101 7.472 895 HA THR 109 HA THR 109 0.265 7.773 6.937 896 HB THR 109 HB THR 109 1.291 5.250 5.620 897 HG1 THR 109 1HG THR 109 1.551 4.933 7.797 898 1HG2 THR 109 1HG2 THR 109 2.029 7.350 4.567 899 2HG2 THR 109 2HG2 THR 109 3.364 6.516 5.359 900 3HG2 THR 109 3HG2 THR 109 2.620 7.918 6.127 901 H LEU 110 H LEU 110 -1.165 5.200 4.964 902 HA LEU 110 HA LEU 110 -1.031 6.495 2.487 903 1HB LEU 110 2HB LEU 110 -2.986 4.444 3.510 904 2HB LEU 110 1HB LEU 110 -2.884 4.947 1.835 905 HG LEU 110 HG LEU 110 -0.685 3.583 3.394 906 1HD1 LEU 110 1HD1 LEU 110 -2.481 2.560 1.197 907 2HD1 LEU 110 2HD1 LEU 110 -2.548 2.095 2.898 908 3HD1 LEU 110 3HD1 LEU 110 -1.134 1.683 1.927 909 1HD2 LEU 110 1HD2 LEU 110 0.201 5.115 1.719 910 2HD2 LEU 110 2HD2 LEU 110 -0.830 4.384 0.489 911 3HD2 LEU 110 3HD2 LEU 110 0.458 3.438 1.235 912 H HIS 111 H HIS 111 -3.605 6.525 4.941 913 HA HIS 111 HA HIS 111 -5.345 8.145 3.363 914 1HB HIS 111 2HB HIS 111 -5.331 7.278 6.222 915 2HB HIS 111 1HB HIS 111 -6.387 8.599 5.735 916 HD1 HIS 111 1HD HIS 111 -8.396 8.027 4.203 917 HD2 HIS 111 2HD HIS 111 -6.077 4.731 5.270 918 HE1 HIS 111 1HE HIS 111 -9.749 5.999 3.564 919 HE2 HIS 111 2HE HIS 111 -8.353 4.013 4.251 920 H ALA 112 H ALA 112 -2.751 8.821 5.592 921 HA ALA 112 HA ALA 112 -3.243 11.593 5.924 922 1HB ALA 112 1HB ALA 112 -1.700 10.344 7.360 923 2HB ALA 112 2HB ALA 112 -0.912 11.737 6.616 924 3HB ALA 112 3HB ALA 112 -0.616 10.115 5.989 925 H VAL 113 H VAL 113 -1.206 9.774 3.655 926 HA VAL 113 HA VAL 113 -0.233 11.989 2.224 927 HB VAL 113 HB VAL 113 -0.662 9.179 1.183 928 1HG1 VAL 113 1HG1 VAL 113 1.138 9.720 -0.389 929 2HG1 VAL 113 2HG1 VAL 113 1.183 11.371 0.235 930 3HG1 VAL 113 3HG1 VAL 113 -0.255 10.783 -0.603 931 1HG2 VAL 113 1HG2 VAL 113 1.670 8.784 1.809 932 2HG2 VAL 113 2HG2 VAL 113 0.674 9.164 3.214 933 3HG2 VAL 113 3HG2 VAL 113 1.746 10.389 2.535 934 H LYS 114 H LYS 114 -3.015 9.865 1.697 935 HA LYS 114 HA LYS 114 -3.949 10.950 -0.690 936 1HB LYS 114 2HB LYS 114 -4.899 8.920 0.165 937 2HB LYS 114 1HB LYS 114 -5.450 9.730 1.623 938 1HG LYS 114 2HG LYS 114 -7.042 11.024 0.351 939 2HG LYS 114 1HG LYS 114 -6.441 10.335 -1.155 940 1HD LYS 114 2HD LYS 114 -7.184 8.122 -0.441 941 2HD LYS 114 1HD LYS 114 -7.771 8.808 1.078 942 1HE LYS 114 2HE LYS 114 -9.440 10.061 -0.016 943 2HE LYS 114 1HE LYS 114 -8.715 9.787 -1.600 944 1HZ LYS 114 1HZ LYS 114 -9.263 7.435 -1.383 945 2HZ LYS 114 2HZ LYS 114 -10.638 8.411 -1.329 946 3HZ LYS 114 3HZ LYS 114 -10.033 7.737 0.099 947 H ASP 115 H ASP 115 -4.579 11.929 2.638 948 HA ASP 115 HA ASP 115 -6.522 13.896 2.118 949 1HB ASP 115 2HB ASP 115 -5.524 12.858 4.377 950 2HB ASP 115 1HB ASP 115 -4.579 14.342 4.333 951 H GLU 116 H GLU 116 -3.026 14.135 2.519 952 HA GLU 116 HA GLU 116 -2.742 16.864 2.023 953 1HB GLU 116 2HB GLU 116 -0.772 14.626 1.528 954 2HB GLU 116 1HB GLU 116 -0.376 16.336 1.657 955 1HG GLU 116 2HG GLU 116 -1.041 16.389 3.949 956 2HG GLU 116 1HG GLU 116 -1.676 14.749 3.855 957 H ILE 117 H ILE 117 -2.599 14.083 -0.201 958 HA ILE 117 HA ILE 117 -1.956 15.531 -2.528 959 HB ILE 117 HB ILE 117 -3.542 12.969 -2.248 960 1HG1 ILE 117 2HG1 ILE 117 -0.657 13.465 -3.017 961 2HG1 ILE 117 1HG1 ILE 117 -1.205 12.888 -1.444 962 1HG2 ILE 117 1HG2 ILE 117 -2.349 14.207 -4.729 963 2HG2 ILE 117 2HG2 ILE 117 -4.068 14.052 -4.371 964 3HG2 ILE 117 3HG2 ILE 117 -3.089 12.609 -4.630 965 1HD1 ILE 117 1HD1 ILE 117 -1.513 11.449 -4.074 966 2HD1 ILE 117 2HD1 ILE 117 -2.090 10.867 -2.512 967 3HD1 ILE 117 3HD1 ILE 117 -0.360 11.060 -2.797 968 H ALA 118 H ALA 118 -5.119 14.570 -1.213 969 HA ALA 118 HA ALA 118 -6.684 15.805 -3.208 970 1HB ALA 118 1HB ALA 118 -7.416 15.243 -0.336 971 2HB ALA 118 2HB ALA 118 -7.569 14.103 -1.674 972 3HB ALA 118 3HB ALA 118 -8.540 15.575 -1.650 973 H ARG 119 H ARG 119 -5.227 16.958 -0.266 974 HA ARG 119 HA ARG 119 -6.470 19.496 -0.185 975 1HB ARG 119 2HB ARG 119 -5.229 18.336 1.680 976 2HB ARG 119 1HB ARG 119 -3.727 18.717 0.863 977 1HG ARG 119 2HG ARG 119 -5.685 20.833 1.732 978 2HG ARG 119 1HG ARG 119 -4.441 20.202 2.802 979 1HD ARG 119 2HD ARG 119 -3.253 21.938 1.997 980 2HD ARG 119 1HD ARG 119 -2.939 20.836 0.660 981 HE ARG 119 HE ARG 119 -4.762 21.951 -0.540 982 1HH1 ARG 119 1HH1 ARG 119 -3.359 23.605 2.214 983 2HH1 ARG 119 2HH1 ARG 119 -3.794 25.191 1.639 984 1HH2 ARG 119 1HH2 ARG 119 -5.335 24.019 -1.296 985 2HH2 ARG 119 2HH2 ARG 119 -4.930 25.423 -0.347 986 H GLU 120 H GLU 120 -3.343 18.381 -1.487 987 HA GLU 120 HA GLU 120 -2.480 20.832 -2.504 988 1HB GLU 120 2HB GLU 120 -1.861 18.025 -3.367 989 2HB GLU 120 1HB GLU 120 -1.051 19.432 -4.033 990 1HG GLU 120 2HG GLU 120 -1.068 18.659 -1.125 991 2HG GLU 120 1HG GLU 120 0.239 18.323 -2.259 992 H ASP 121 H ASP 121 -3.930 18.133 -4.345 993 HA ASP 121 HA ASP 121 -5.603 19.897 -5.828 994 1HB ASP 121 2HB ASP 121 -3.581 20.450 -7.028 995 2HB ASP 121 1HB ASP 121 -3.204 18.744 -7.261 996 H SER 122 H SER 122 -7.291 18.608 -5.508 997 HA SER 122 HA SER 122 -7.553 16.383 -7.299 998 1HB SER 122 2HB SER 122 -7.820 15.938 -4.309 999 2HB SER 122 1HB SER 122 -8.425 14.819 -5.533 1000 HG SER 122 HG SER 122 -5.733 15.640 -5.597 1001 H ARG 123 H ARG 123 -9.690 16.076 -7.895 1002 HA ARG 123 HA ARG 123 -11.464 18.238 -7.185 1003 1HB ARG 123 2HB ARG 123 -11.806 15.894 -9.056 1004 2HB ARG 123 1HB ARG 123 -13.003 17.160 -8.842 1005 1HG ARG 123 2HG ARG 123 -10.190 17.574 -9.844 1006 2HG ARG 123 1HG ARG 123 -11.635 17.492 -10.850 1007 1HD ARG 123 2HD ARG 123 -11.234 19.781 -10.596 1008 2HD ARG 123 1HD ARG 123 -12.514 19.431 -9.436 1009 HE ARG 123 HE ARG 123 -9.683 19.585 -8.609 1010 1HH1 ARG 123 1HH1 ARG 123 -13.014 20.625 -8.308 1011 2HH1 ARG 123 2HH1 ARG 123 -12.737 21.554 -6.866 1012 1HH2 ARG 123 1HH2 ARG 123 -9.299 20.828 -6.723 1013 2HH2 ARG 123 2HH2 ARG 123 -10.621 21.682 -5.974 Start of MODEL 12 1 1H MET 1 1HT MET 1 -14.437 14.759 -16.129 2 2H MET 1 2HT MET 1 -14.180 14.702 -14.455 3 3H MET 1 3HT MET 1 -15.529 13.925 -15.131 4 HA MET 1 HA MET 1 -13.864 12.309 -14.568 5 1HB MET 1 2HB MET 1 -14.051 12.783 -17.554 6 2HB MET 1 1HB MET 1 -13.549 11.279 -16.796 7 1HG MET 1 2HG MET 1 -15.750 11.019 -15.810 8 2HG MET 1 1HG MET 1 -16.256 12.556 -16.513 9 1HE MET 1 1HE MET 1 -16.008 11.723 -20.364 10 2HE MET 1 2HE MET 1 -14.690 12.316 -19.359 11 3HE MET 1 3HE MET 1 -16.311 12.984 -19.165 12 H LEU 2 H LEU 2 -11.904 12.656 -13.705 13 HA LEU 2 HA LEU 2 -9.723 13.219 -15.576 14 1HB LEU 2 2HB LEU 2 -10.492 15.327 -14.297 15 2HB LEU 2 1HB LEU 2 -9.806 14.563 -12.879 16 HG LEU 2 HG LEU 2 -8.190 15.129 -15.367 17 1HD1 LEU 2 1HD1 LEU 2 -7.344 17.104 -14.190 18 2HD1 LEU 2 2HD1 LEU 2 -8.510 16.831 -12.897 19 3HD1 LEU 2 3HD1 LEU 2 -9.071 17.231 -14.520 20 1HD2 LEU 2 1HD2 LEU 2 -6.287 14.933 -13.856 21 2HD2 LEU 2 2HD2 LEU 2 -7.247 13.454 -13.850 22 3HD2 LEU 2 3HD2 LEU 2 -7.375 14.594 -12.511 23 H SER 3 H SER 3 -8.673 11.324 -15.456 24 HA SER 3 HA SER 3 -8.475 9.914 -12.919 25 1HB SER 3 2HB SER 3 -8.979 8.737 -15.094 26 2HB SER 3 1HB SER 3 -7.330 9.102 -15.601 27 HG SER 3 HG SER 3 -8.259 7.295 -13.682 28 H GLN 4 H GLN 4 -7.097 11.124 -11.678 29 HA GLN 4 HA GLN 4 -4.503 11.932 -12.666 30 1HB GLN 4 2HB GLN 4 -6.066 13.088 -10.882 31 2HB GLN 4 1HB GLN 4 -5.291 11.975 -9.768 32 1HG GLN 4 2HG GLN 4 -3.542 13.610 -11.521 33 2HG GLN 4 1HG GLN 4 -4.385 14.423 -10.204 34 1HE2 GLN 4 1HE2 GLN 4 -2.491 14.860 -9.097 35 2HE2 GLN 4 2HE2 GLN 4 -1.576 13.635 -8.304 36 H THR 5 H THR 5 -2.753 10.670 -12.642 37 HA THR 5 HA THR 5 -3.098 7.920 -12.035 38 HB THR 5 HB THR 5 -0.492 9.291 -12.691 39 HG1 THR 5 1HG THR 5 -1.856 9.914 -14.306 40 1HG2 THR 5 1HG2 THR 5 -0.300 6.942 -12.011 41 2HG2 THR 5 2HG2 THR 5 0.060 7.133 -13.727 42 3HG2 THR 5 3HG2 THR 5 -1.501 6.489 -13.219 43 H LEU 6 H LEU 6 -1.096 10.452 -10.524 44 HA LEU 6 HA LEU 6 0.305 8.760 -8.763 45 1HB LEU 6 2HB LEU 6 0.995 11.052 -9.228 46 2HB LEU 6 1HB LEU 6 -0.447 11.663 -8.441 47 HG LEU 6 HG LEU 6 0.355 10.714 -6.295 48 1HD1 LEU 6 1HD1 LEU 6 1.745 8.924 -7.149 49 2HD1 LEU 6 2HD1 LEU 6 2.700 10.002 -6.130 50 3HD1 LEU 6 3HD1 LEU 6 2.838 10.096 -7.885 51 1HD2 LEU 6 1HD2 LEU 6 0.773 13.050 -6.877 52 2HD2 LEU 6 2HD2 LEU 6 2.285 12.585 -7.655 53 3HD2 LEU 6 3HD2 LEU 6 2.088 12.379 -5.915 54 H LEU 7 H LEU 7 -2.675 10.608 -8.301 55 HA LEU 7 HA LEU 7 -3.086 9.779 -5.611 56 1HB LEU 7 2HB LEU 7 -4.106 11.806 -6.522 57 2HB LEU 7 1HB LEU 7 -5.045 10.848 -7.650 58 HG LEU 7 HG LEU 7 -6.234 9.808 -5.740 59 1HD1 LEU 7 1HD1 LEU 7 -4.687 11.811 -4.098 60 2HD1 LEU 7 2HD1 LEU 7 -4.517 10.057 -4.032 61 3HD1 LEU 7 3HD1 LEU 7 -6.022 10.819 -3.516 62 1HD2 LEU 7 1HD2 LEU 7 -7.565 11.781 -5.156 63 2HD2 LEU 7 2HD2 LEU 7 -7.195 11.727 -6.881 64 3HD2 LEU 7 3HD2 LEU 7 -6.305 12.820 -5.821 65 H GLU 8 H GLU 8 -4.227 8.617 -8.745 66 HA GLU 8 HA GLU 8 -6.095 6.722 -7.912 67 1HB GLU 8 2HB GLU 8 -4.737 7.416 -10.317 68 2HB GLU 8 1HB GLU 8 -4.592 5.676 -10.119 69 1HG GLU 8 2HG GLU 8 -7.180 7.210 -10.075 70 2HG GLU 8 1HG GLU 8 -6.535 6.337 -11.463 71 H MET 9 H MET 9 -2.568 6.355 -8.330 72 HA MET 9 HA MET 9 -2.486 3.612 -7.696 73 1HB MET 9 2HB MET 9 -0.363 5.739 -7.403 74 2HB MET 9 1HB MET 9 -0.069 4.020 -7.180 75 1HG MET 9 2HG MET 9 -0.834 3.640 -9.505 76 2HG MET 9 1HG MET 9 -0.960 5.387 -9.708 77 1HE MET 9 1HE MET 9 1.592 6.366 -7.997 78 2HE MET 9 2HE MET 9 1.137 7.039 -9.562 79 3HE MET 9 3HE MET 9 2.792 6.500 -9.284 80 H THR 10 H THR 10 -2.240 6.495 -5.676 81 HA THR 10 HA THR 10 -1.725 5.178 -3.230 82 HB THR 10 HB THR 10 -3.221 7.786 -3.586 83 HG1 THR 10 1HG THR 10 -1.310 8.036 -4.703 84 1HG2 THR 10 1HG2 THR 10 -3.259 6.926 -1.313 85 2HG2 THR 10 2HG2 THR 10 -2.199 8.334 -1.405 86 3HG2 THR 10 3HG2 THR 10 -1.510 6.712 -1.342 87 H GLU 11 H GLU 11 -4.714 6.366 -4.706 88 HA GLU 11 HA GLU 11 -6.570 5.532 -2.820 89 1HB GLU 11 2HB GLU 11 -6.759 5.776 -5.825 90 2HB GLU 11 1HB GLU 11 -8.150 5.462 -4.808 91 1HG GLU 11 2HG GLU 11 -6.370 7.880 -4.605 92 2HG GLU 11 1HG GLU 11 -7.915 7.827 -5.450 93 H GLN 12 H GLN 12 -5.233 3.793 -5.600 94 HA GLN 12 HA GLN 12 -6.756 1.448 -5.280 95 1HB GLN 12 2HB GLN 12 -5.579 2.010 -7.362 96 2HB GLN 12 1HB GLN 12 -4.036 1.788 -6.550 97 1HG GLN 12 2HG GLN 12 -4.462 -0.546 -6.246 98 2HG GLN 12 1HG GLN 12 -6.101 -0.371 -6.867 99 1HE2 GLN 12 1HE2 GLN 12 -5.783 -1.869 -8.491 100 2HE2 GLN 12 2HE2 GLN 12 -4.803 -1.534 -9.880 101 H MET 13 H MET 13 -3.541 2.350 -4.079 102 HA MET 13 HA MET 13 -2.888 -0.109 -2.905 103 1HB MET 13 2HB MET 13 -2.051 2.711 -2.285 104 2HB MET 13 1HB MET 13 -1.469 1.355 -1.331 105 1HG MET 13 2HG MET 13 -0.566 0.333 -3.381 106 2HG MET 13 1HG MET 13 -1.088 1.752 -4.288 107 1HE MET 13 1HE MET 13 1.432 1.939 -5.202 108 2HE MET 13 2HE MET 13 1.914 0.560 -4.212 109 3HE MET 13 3HE MET 13 2.835 2.061 -4.141 110 H ILE 14 H ILE 14 -4.669 2.666 -1.610 111 HA ILE 14 HA ILE 14 -5.038 1.726 1.003 112 HB ILE 14 HB ILE 14 -6.896 3.432 -0.669 113 1HG1 ILE 14 2HG1 ILE 14 -4.765 4.184 1.346 114 2HG1 ILE 14 1HG1 ILE 14 -4.640 4.373 -0.400 115 1HG2 ILE 14 1HG2 ILE 14 -8.085 2.458 1.218 116 2HG2 ILE 14 2HG2 ILE 14 -7.837 4.186 1.475 117 3HG2 ILE 14 3HG2 ILE 14 -6.824 3.015 2.319 118 1HD1 ILE 14 1HD1 ILE 14 -5.152 6.475 0.737 119 2HD1 ILE 14 2HD1 ILE 14 -6.643 5.768 1.359 120 3HD1 ILE 14 3HD1 ILE 14 -6.432 5.997 -0.376 121 H GLU 15 H GLU 15 -7.005 1.287 -1.912 122 HA GLU 15 HA GLU 15 -9.013 -0.299 -0.713 123 1HB GLU 15 2HB GLU 15 -9.332 0.827 -2.856 124 2HB GLU 15 1HB GLU 15 -8.077 -0.163 -3.589 125 1HG GLU 15 2HG GLU 15 -9.434 -2.154 -3.246 126 2HG GLU 15 1HG GLU 15 -10.690 -1.174 -2.490 127 H VAL 16 H VAL 16 -5.986 -1.152 -2.378 128 HA VAL 16 HA VAL 16 -6.326 -3.936 -2.396 129 HB VAL 16 HB VAL 16 -3.786 -2.299 -2.221 130 1HG1 VAL 16 1HG1 VAL 16 -2.582 -4.336 -2.880 131 2HG1 VAL 16 2HG1 VAL 16 -4.073 -5.263 -2.718 132 3HG1 VAL 16 3HG1 VAL 16 -3.346 -4.511 -1.299 133 1HG2 VAL 16 1HG2 VAL 16 -3.562 -2.965 -4.599 134 2HG2 VAL 16 2HG2 VAL 16 -4.993 -1.980 -4.283 135 3HG2 VAL 16 3HG2 VAL 16 -5.154 -3.723 -4.500 136 H ALA 17 H ALA 17 -4.944 -1.795 0.067 137 HA ALA 17 HA ALA 17 -4.189 -3.782 1.906 138 1HB ALA 17 1HB ALA 17 -3.441 -1.439 2.043 139 2HB ALA 17 2HB ALA 17 -4.137 -2.006 3.561 140 3HB ALA 17 3HB ALA 17 -5.078 -0.960 2.500 141 H GLU 18 H GLU 18 -7.186 -1.873 1.679 142 HA GLU 18 HA GLU 18 -8.497 -3.059 3.841 143 1HB GLU 18 2HB GLU 18 -9.510 -1.686 1.360 144 2HB GLU 18 1HB GLU 18 -10.571 -2.225 2.640 145 1HG GLU 18 2HG GLU 18 -8.924 -0.838 4.149 146 2HG GLU 18 1HG GLU 18 -8.593 -0.015 2.625 147 H LYS 19 H LYS 19 -8.506 -3.927 0.389 148 HA LYS 19 HA LYS 19 -10.343 -6.062 0.607 149 1HB LYS 19 2HB LYS 19 -8.133 -5.495 -1.366 150 2HB LYS 19 1HB LYS 19 -9.192 -6.888 -1.512 151 1HG LYS 19 2HG LYS 19 -10.130 -4.027 -1.465 152 2HG LYS 19 1HG LYS 19 -9.858 -4.975 -2.928 153 1HD LYS 19 2HD LYS 19 -11.521 -6.631 -2.070 154 2HD LYS 19 1HD LYS 19 -11.865 -5.519 -0.744 155 1HE LYS 19 2HE LYS 19 -12.226 -4.959 -3.688 156 2HE LYS 19 1HE LYS 19 -13.510 -5.277 -2.522 157 1HZ LYS 19 1HZ LYS 19 -13.381 -2.943 -2.830 158 2HZ LYS 19 2HZ LYS 19 -11.703 -2.930 -2.614 159 3HZ LYS 19 3HZ LYS 19 -12.716 -3.266 -1.301 160 H GLY 20 H GLY 20 -6.798 -5.964 0.774 161 1HA GLY 20 2HA GLY 20 -6.378 -8.737 1.030 162 2HA GLY 20 1HA GLY 20 -5.266 -7.480 1.545 163 H ALA 21 H ALA 21 -6.971 -6.237 3.446 164 HA ALA 21 HA ALA 21 -6.444 -7.758 5.739 165 1HB ALA 21 1HB ALA 21 -7.784 -6.118 6.939 166 2HB ALA 21 2HB ALA 21 -8.433 -5.515 5.415 167 3HB ALA 21 3HB ALA 21 -6.717 -5.327 5.778 168 H ASP 22 H ASP 22 -9.468 -7.249 3.964 169 HA ASP 22 HA ASP 22 -11.027 -8.887 5.698 170 1HB ASP 22 2HB ASP 22 -11.934 -7.077 4.211 171 2HB ASP 22 1HB ASP 22 -11.639 -8.135 2.834 172 H ARG 23 H ARG 23 -9.401 -9.397 2.607 173 HA ARG 23 HA ARG 23 -10.277 -12.005 2.086 174 1HB ARG 23 2HB ARG 23 -9.093 -10.619 0.441 175 2HB ARG 23 1HB ARG 23 -7.622 -10.732 1.394 176 1HG ARG 23 2HG ARG 23 -7.629 -13.177 1.053 177 2HG ARG 23 1HG ARG 23 -9.042 -12.998 0.013 178 1HD ARG 23 2HD ARG 23 -7.784 -11.654 -1.540 179 2HD ARG 23 1HD ARG 23 -6.384 -11.658 -0.464 180 HE ARG 23 HE ARG 23 -7.401 -14.209 -1.505 181 1HH1 ARG 23 1HH1 ARG 23 -4.894 -11.754 -1.463 182 2HH1 ARG 23 2HH1 ARG 23 -3.697 -12.791 -2.190 183 1HH2 ARG 23 1HH2 ARG 23 -5.850 -15.555 -2.454 184 2HH2 ARG 23 2HH2 ARG 23 -4.245 -14.964 -2.748 185 H TYR 24 H TYR 24 -7.483 -10.833 3.930 186 HA TYR 24 HA TYR 24 -6.371 -13.354 4.489 187 1HB TYR 24 2HB TYR 24 -5.111 -11.280 4.817 188 2HB TYR 24 1HB TYR 24 -6.208 -10.804 6.111 189 HD1 TYR 24 1HD TYR 24 -3.659 -13.306 5.139 190 HD2 TYR 24 2HD TYR 24 -5.894 -11.585 8.321 191 HE1 TYR 24 1HE TYR 24 -2.252 -14.499 6.761 192 HE2 TYR 24 2HE TYR 24 -4.497 -12.781 9.955 193 HH TYR 24 HH TYR 24 -3.087 -14.833 10.002 194 H GLN 25 H GLN 25 -8.918 -11.499 6.037 195 HA GLN 25 HA GLN 25 -9.042 -13.113 8.380 196 1HB GLN 25 2HB GLN 25 -10.033 -10.724 7.874 197 2HB GLN 25 1HB GLN 25 -11.437 -11.644 7.350 198 1HG GLN 25 2HG GLN 25 -10.373 -12.441 9.958 199 2HG GLN 25 1HG GLN 25 -10.972 -10.788 9.887 200 1HE2 GLN 25 1HE2 GLN 25 -12.648 -11.307 11.301 201 2HE2 GLN 25 2HE2 GLN 25 -14.033 -12.200 10.774 202 H GLU 26 H GLU 26 -10.367 -13.359 5.172 203 HA GLU 26 HA GLU 26 -12.139 -15.536 5.823 204 1HB GLU 26 2HB GLU 26 -11.186 -14.489 3.153 205 2HB GLU 26 1HB GLU 26 -12.427 -15.718 3.367 206 1HG GLU 26 2HG GLU 26 -12.566 -12.865 4.319 207 2HG GLU 26 1HG GLU 26 -13.421 -13.555 2.939 208 H GLY 27 H GLY 27 -8.818 -15.170 5.063 209 1HA GLY 27 2HA GLY 27 -8.379 -17.882 4.174 210 2HA GLY 27 1HA GLY 27 -7.140 -16.711 4.610 211 H LYS 28 H LYS 28 -9.763 -18.515 6.155 212 HA LYS 28 HA LYS 28 -8.501 -18.386 8.736 213 1HB LYS 28 2HB LYS 28 -10.879 -20.077 7.988 214 2HB LYS 28 1HB LYS 28 -10.501 -19.357 9.549 215 1HG LYS 28 2HG LYS 28 -11.031 -17.181 8.773 216 2HG LYS 28 1HG LYS 28 -11.111 -17.728 7.098 217 1HD LYS 28 2HD LYS 28 -13.010 -19.264 7.930 218 2HD LYS 28 1HD LYS 28 -13.048 -18.199 9.336 219 1HE LYS 28 2HE LYS 28 -13.354 -17.330 6.462 220 2HE LYS 28 1HE LYS 28 -14.669 -17.519 7.619 221 1HZ LYS 28 1HZ LYS 28 -12.398 -15.655 8.042 222 2HZ LYS 28 2HZ LYS 28 -13.859 -15.724 8.899 223 3HZ LYS 28 3HZ LYS 28 -13.845 -15.193 7.287 224 H ASN 29 H ASN 29 -8.384 -20.515 6.087 225 HA ASN 29 HA ASN 29 -7.610 -22.813 7.712 226 1HB ASN 29 2HB ASN 29 -8.037 -22.583 4.725 227 2HB ASN 29 1HB ASN 29 -7.621 -24.066 5.578 228 1HD2 ASN 29 1HD2 ASN 29 -9.931 -23.561 3.963 229 2HD2 ASN 29 2HD2 ASN 29 -11.317 -23.760 4.985 230 H SER 30 H SER 30 -5.565 -23.230 8.121 231 HA SER 30 HA SER 30 -3.516 -22.479 6.173 232 1HB SER 30 2HB SER 30 -3.810 -20.668 7.954 233 2HB SER 30 1HB SER 30 -3.196 -21.844 9.112 234 HG SER 30 HG SER 30 -1.313 -21.998 7.676 235 H ASN 31 H ASN 31 -4.883 -24.933 7.431 236 HA ASN 31 HA ASN 31 -2.735 -26.314 8.762 237 1HB ASN 31 2HB ASN 31 -4.981 -26.920 9.367 238 2HB ASN 31 1HB ASN 31 -5.406 -27.240 7.690 239 1HD2 ASN 31 1HD2 ASN 31 -3.742 -28.425 10.511 240 2HD2 ASN 31 2HD2 ASN 31 -3.534 -30.050 9.938 241 H HIS 32 H HIS 32 -4.072 -26.153 5.532 242 HA HIS 32 HA HIS 32 -1.984 -27.989 4.578 243 1HB HIS 32 2HB HIS 32 -4.511 -27.066 3.183 244 2HB HIS 32 1HB HIS 32 -3.341 -28.211 2.535 245 HD1 HIS 32 1HD HIS 32 -6.408 -28.044 4.451 246 HD2 HIS 32 2HD HIS 32 -3.180 -30.651 4.183 247 HE1 HIS 32 1HE HIS 32 -7.199 -30.212 5.451 248 HE2 HIS 32 2HE HIS 32 -5.154 -31.685 5.497 249 H SER 33 H SER 33 -0.585 -27.344 2.959 250 HA SER 33 HA SER 33 -0.204 -24.467 2.843 251 1HB SER 33 2HB SER 33 1.538 -26.718 1.820 252 2HB SER 33 1HB SER 33 2.001 -25.018 1.929 253 HG SER 33 HG SER 33 1.455 -26.839 4.034 254 H TYR 34 H TYR 34 -0.211 -23.234 1.032 255 HA TYR 34 HA TYR 34 -1.423 -24.413 -1.366 256 1HB TYR 34 2HB TYR 34 -2.477 -22.442 -0.085 257 2HB TYR 34 1HB TYR 34 -1.157 -21.474 -0.726 258 HD1 TYR 34 1HD TYR 34 -1.327 -20.511 -2.852 259 HD2 TYR 34 2HD TYR 34 -3.997 -23.636 -1.763 260 HE1 TYR 34 1HE TYR 34 -2.624 -20.108 -4.899 261 HE2 TYR 34 2HE TYR 34 -5.300 -23.243 -3.812 262 HH TYR 34 HH TYR 34 -4.172 -21.401 -6.385 263 H ASP 35 H ASP 35 -0.621 -23.609 -3.470 264 HA ASP 35 HA ASP 35 2.273 -23.511 -3.495 265 1HB ASP 35 2HB ASP 35 0.218 -23.538 -5.707 266 2HB ASP 35 1HB ASP 35 1.945 -23.395 -6.009 267 H PHE 36 H PHE 36 3.556 -21.804 -4.149 268 HA PHE 36 HA PHE 36 2.399 -19.174 -4.102 269 1HB PHE 36 2HB PHE 36 5.209 -20.127 -4.682 270 2HB PHE 36 1HB PHE 36 4.740 -18.431 -4.646 271 HD1 PHE 36 1HD PHE 36 5.305 -21.441 -2.638 272 HD2 PHE 36 2HD PHE 36 4.238 -17.321 -2.568 273 HE1 PHE 36 1HE PHE 36 5.674 -21.389 -0.205 274 HE2 PHE 36 2HE PHE 36 4.606 -17.263 -0.137 275 HZ PHE 36 HZ PHE 36 5.326 -19.299 1.049 276 H PHE 37 H PHE 37 0.918 -19.277 -5.799 277 HA PHE 37 HA PHE 37 1.934 -18.692 -8.418 278 1HB PHE 37 2HB PHE 37 2.070 -21.200 -8.284 279 2HB PHE 37 1HB PHE 37 0.333 -21.239 -8.017 280 HD1 PHE 37 1HD PHE 37 2.831 -19.927 -10.457 281 HD2 PHE 37 2HD PHE 37 -1.044 -21.570 -9.823 282 HE1 PHE 37 1HE PHE 37 2.470 -20.008 -12.891 283 HE2 PHE 37 2HE PHE 37 -1.413 -21.652 -12.252 284 HZ PHE 37 HZ PHE 37 0.344 -20.870 -13.792 285 H GLU 38 H GLU 38 -0.070 -18.578 -9.963 286 HA GLU 38 HA GLU 38 -2.109 -17.832 -10.522 287 1HB GLU 38 2HB GLU 38 -2.925 -19.708 -9.179 288 2HB GLU 38 1HB GLU 38 -2.899 -18.681 -7.756 289 1HG GLU 38 2HG GLU 38 -4.482 -17.160 -9.028 290 2HG GLU 38 1HG GLU 38 -4.693 -18.511 -10.140 291 H THR 39 H THR 39 -2.575 -16.999 -7.142 292 HA THR 39 HA THR 39 -3.024 -14.238 -7.992 293 HB THR 39 HB THR 39 -3.879 -14.310 -5.424 294 HG1 THR 39 1HG THR 39 -4.806 -16.810 -6.251 295 1HG2 THR 39 1HG2 THR 39 -6.130 -14.685 -6.321 296 2HG2 THR 39 2HG2 THR 39 -5.435 -15.295 -7.822 297 3HG2 THR 39 3HG2 THR 39 -5.204 -13.606 -7.367 298 H ILE 40 H ILE 40 -0.460 -15.853 -7.014 299 HA ILE 40 HA ILE 40 0.450 -13.833 -5.082 300 HB ILE 40 HB ILE 40 1.571 -16.584 -5.647 301 1HG1 ILE 40 2HG1 ILE 40 0.029 -15.539 -3.258 302 2HG1 ILE 40 1HG1 ILE 40 -0.646 -16.562 -4.523 303 1HG2 ILE 40 1HG2 ILE 40 3.301 -15.019 -4.927 304 2HG2 ILE 40 2HG2 ILE 40 2.963 -16.208 -3.668 305 3HG2 ILE 40 3HG2 ILE 40 2.323 -14.571 -3.531 306 1HD1 ILE 40 1HD1 ILE 40 0.806 -18.369 -3.880 307 2HD1 ILE 40 2HD1 ILE 40 -0.083 -17.789 -2.473 308 3HD1 ILE 40 3HD1 ILE 40 1.611 -17.343 -2.692 309 H LYS 41 H LYS 41 1.491 -15.611 -7.977 310 HA LYS 41 HA LYS 41 4.047 -14.486 -8.140 311 1HB LYS 41 2HB LYS 41 3.526 -16.549 -9.269 312 2HB LYS 41 1HB LYS 41 2.339 -15.745 -10.285 313 1HG LYS 41 2HG LYS 41 4.134 -14.424 -11.317 314 2HG LYS 41 1HG LYS 41 5.316 -15.283 -10.326 315 1HD LYS 41 2HD LYS 41 4.771 -17.368 -11.381 316 2HD LYS 41 1HD LYS 41 3.421 -16.629 -12.244 317 1HE LYS 41 2HE LYS 41 5.270 -16.879 -13.757 318 2HE LYS 41 1HE LYS 41 5.026 -15.168 -13.423 319 1HZ LYS 41 1HZ LYS 41 7.125 -16.919 -12.257 320 2HZ LYS 41 2HZ LYS 41 6.854 -15.312 -11.790 321 3HZ LYS 41 3HZ LYS 41 7.347 -15.659 -13.373 322 HA PRO 42 HA PRO 42 2.651 -11.450 -11.547 323 1HB PRO 42 2HB PRO 42 0.031 -11.043 -12.083 324 2HB PRO 42 1HB PRO 42 0.975 -12.324 -12.852 325 1HG PRO 42 2HG PRO 42 -0.918 -12.497 -10.543 326 2HG PRO 42 1HG PRO 42 -0.738 -13.588 -11.928 327 1HD PRO 42 2HD PRO 42 0.321 -14.118 -9.485 328 2HD PRO 42 1HD PRO 42 1.058 -14.677 -10.999 329 H ALA 43 H ALA 43 0.897 -11.657 -8.594 330 HA ALA 43 HA ALA 43 -0.002 -8.967 -8.451 331 1HB ALA 43 1HB ALA 43 -0.418 -9.435 -6.098 332 2HB ALA 43 2HB ALA 43 0.508 -10.930 -6.222 333 3HB ALA 43 3HB ALA 43 -1.003 -10.752 -7.113 334 H VAL 44 H VAL 44 2.937 -10.632 -7.504 335 HA VAL 44 HA VAL 44 4.082 -8.610 -5.922 336 HB VAL 44 HB VAL 44 5.489 -10.665 -7.639 337 1HG1 VAL 44 1HG1 VAL 44 6.994 -8.870 -6.998 338 2HG1 VAL 44 2HG1 VAL 44 7.384 -10.342 -6.108 339 3HG1 VAL 44 3HG1 VAL 44 6.506 -9.036 -5.312 340 1HG2 VAL 44 1HG2 VAL 44 5.627 -11.995 -5.600 341 2HG2 VAL 44 2HG2 VAL 44 3.948 -11.673 -6.031 342 3HG2 VAL 44 3HG2 VAL 44 4.714 -10.768 -4.725 343 H GLU 45 H GLU 45 4.569 -9.378 -9.367 344 HA GLU 45 HA GLU 45 6.348 -7.346 -9.982 345 1HB GLU 45 2HB GLU 45 4.309 -8.793 -11.662 346 2HB GLU 45 1HB GLU 45 5.443 -7.638 -12.339 347 1HG GLU 45 2HG GLU 45 7.311 -8.978 -11.642 348 2HG GLU 45 1HG GLU 45 6.241 -10.092 -10.795 349 H GLU 46 H GLU 46 2.810 -7.325 -10.072 350 HA GLU 46 HA GLU 46 2.437 -4.805 -11.246 351 1HB GLU 46 2HB GLU 46 0.756 -6.717 -10.594 352 2HB GLU 46 1HB GLU 46 0.607 -5.792 -9.119 353 1HG GLU 46 2HG GLU 46 -1.145 -5.157 -10.614 354 2HG GLU 46 1HG GLU 46 -0.019 -3.813 -10.430 355 H ASN 47 H ASN 47 2.244 -5.712 -7.839 356 HA ASN 47 HA ASN 47 1.985 -3.039 -6.942 357 1HB ASN 47 2HB ASN 47 2.570 -5.608 -5.484 358 2HB ASN 47 1HB ASN 47 2.446 -4.058 -4.654 359 1HD2 ASN 47 1HD2 ASN 47 0.722 -6.544 -6.341 360 2HD2 ASN 47 2HD2 ASN 47 -0.871 -5.970 -5.993 361 H ASP 48 H ASP 48 4.787 -5.047 -7.520 362 HA ASP 48 HA ASP 48 6.684 -3.435 -6.176 363 1HB ASP 48 2HB ASP 48 7.202 -5.697 -7.024 364 2HB ASP 48 1HB ASP 48 7.052 -5.104 -8.675 365 H GLU 49 H GLU 49 5.575 -3.463 -9.559 366 HA GLU 49 HA GLU 49 6.924 -1.213 -10.487 367 1HB GLU 49 2HB GLU 49 4.219 -2.322 -11.205 368 2HB GLU 49 1HB GLU 49 4.988 -1.007 -12.083 369 1HG GLU 49 2HG GLU 49 6.255 -3.699 -11.703 370 2HG GLU 49 1HG GLU 49 5.240 -3.284 -13.072 371 H LEU 50 H LEU 50 3.722 -1.488 -9.010 372 HA LEU 50 HA LEU 50 3.016 1.218 -9.044 373 1HB LEU 50 2HB LEU 50 1.964 -1.189 -8.024 374 2HB LEU 50 1HB LEU 50 2.051 -0.090 -6.660 375 HG LEU 50 HG LEU 50 0.762 1.580 -8.012 376 1HD1 LEU 50 1HD1 LEU 50 0.445 -0.759 -9.889 377 2HD1 LEU 50 2HD1 LEU 50 1.273 0.760 -10.233 378 3HD1 LEU 50 3HD1 LEU 50 -0.471 0.747 -9.970 379 1HD2 LEU 50 1HD2 LEU 50 -1.393 0.451 -7.718 380 2HD2 LEU 50 2HD2 LEU 50 -0.328 0.193 -6.336 381 3HD2 LEU 50 3HD2 LEU 50 -0.554 -1.089 -7.526 382 H ALA 51 H ALA 51 4.623 -0.662 -6.476 383 HA ALA 51 HA ALA 51 4.784 1.405 -4.595 384 1HB ALA 51 1HB ALA 51 6.494 0.057 -3.494 385 2HB ALA 51 2HB ALA 51 6.655 -0.936 -4.944 386 3HB ALA 51 3HB ALA 51 5.146 -0.942 -4.032 387 H ALA 52 H ALA 52 7.061 0.423 -7.129 388 HA ALA 52 HA ALA 52 9.128 2.208 -6.463 389 1HB ALA 52 1HB ALA 52 9.424 0.319 -8.000 390 2HB ALA 52 2HB ALA 52 9.938 1.839 -8.734 391 3HB ALA 52 3HB ALA 52 8.389 1.124 -9.180 392 H ARG 53 H ARG 53 6.482 2.529 -8.824 393 HA ARG 53 HA ARG 53 7.071 5.132 -9.678 394 1HB ARG 53 2HB ARG 53 4.712 3.299 -9.734 395 2HB ARG 53 1HB ARG 53 4.496 4.967 -10.191 396 1HG ARG 53 2HG ARG 53 6.636 3.308 -11.448 397 2HG ARG 53 1HG ARG 53 4.970 3.236 -12.024 398 1HD ARG 53 2HD ARG 53 6.011 4.823 -13.394 399 2HD ARG 53 1HD ARG 53 5.098 5.770 -12.226 400 HE ARG 53 HE ARG 53 7.873 5.312 -11.518 401 1HH1 ARG 53 1HH1 ARG 53 5.534 7.448 -13.035 402 2HH1 ARG 53 2HH1 ARG 53 6.620 8.803 -13.077 403 1HH2 ARG 53 1HH2 ARG 53 9.300 7.096 -11.595 404 2HH2 ARG 53 2HH2 ARG 53 8.754 8.613 -12.254 405 H TRP 54 H TRP 54 5.038 3.894 -7.068 406 HA TRP 54 HA TRP 54 3.829 6.358 -6.385 407 1HB TRP 54 2HB TRP 54 2.993 4.099 -5.688 408 2HB TRP 54 1HB TRP 54 4.336 3.999 -4.556 409 HD1 TRP 54 HD TRP 54 1.234 6.208 -5.226 410 HE1 TRP 54 1HE TRP 54 0.418 7.153 -2.977 411 HE3 TRP 54 3HE TRP 54 4.935 4.384 -2.210 412 HZ2 TRP 54 2HZ TRP 54 1.244 7.121 -0.272 413 HZ3 TRP 54 3HZ TRP 54 4.848 4.887 0.197 414 HH2 TRP 54 HH TRP 54 3.038 6.229 1.145 415 H ALA 55 H ALA 55 6.689 4.659 -5.137 416 HA ALA 55 HA ALA 55 7.392 6.510 -3.157 417 1HB ALA 55 1HB ALA 55 9.177 4.728 -4.815 418 2HB ALA 55 2HB ALA 55 8.422 4.320 -3.275 419 3HB ALA 55 3HB ALA 55 9.666 5.568 -3.341 420 H GLU 56 H GLU 56 8.254 6.336 -6.591 421 HA GLU 56 HA GLU 56 9.993 8.505 -6.708 422 1HB GLU 56 2HB GLU 56 8.143 7.245 -8.725 423 2HB GLU 56 1HB GLU 56 9.297 8.487 -9.135 424 1HG GLU 56 2HG GLU 56 11.128 7.053 -8.421 425 2HG GLU 56 1HG GLU 56 9.965 5.806 -7.970 426 H GLY 57 H GLY 57 6.476 8.318 -7.102 427 1HA GLY 57 2HA GLY 57 6.146 11.070 -7.762 428 2HA GLY 57 1HA GLY 57 4.875 9.962 -7.269 429 H ALA 58 H ALA 58 5.755 9.251 -4.732 430 HA ALA 58 HA ALA 58 4.844 11.397 -3.163 431 1HB ALA 58 1HB ALA 58 4.683 9.070 -2.442 432 2HB ALA 58 2HB ALA 58 5.525 10.043 -1.236 433 3HB ALA 58 3HB ALA 58 6.436 8.976 -2.306 434 H LEU 59 H LEU 59 8.116 10.140 -3.717 435 HA LEU 59 HA LEU 59 9.485 11.925 -2.068 436 1HB LEU 59 2HB LEU 59 10.219 10.261 -4.438 437 2HB LEU 59 1HB LEU 59 11.382 11.360 -3.747 438 HG LEU 59 HG LEU 59 10.022 9.106 -2.270 439 1HD1 LEU 59 1HD1 LEU 59 12.239 8.064 -2.257 440 2HD1 LEU 59 2HD1 LEU 59 12.842 9.356 -3.299 441 3HD1 LEU 59 3HD1 LEU 59 11.598 8.252 -3.890 442 1HD2 LEU 59 1HD2 LEU 59 10.559 10.988 -0.812 443 2HD2 LEU 59 2HD2 LEU 59 12.226 10.966 -1.389 444 3HD2 LEU 59 3HD2 LEU 59 11.592 9.599 -0.471 445 H GLU 60 H GLU 60 8.406 12.195 -5.392 446 HA GLU 60 HA GLU 60 9.759 14.522 -6.149 447 1HB GLU 60 2HB GLU 60 8.490 13.112 -7.709 448 2HB GLU 60 1HB GLU 60 6.992 13.578 -6.923 449 1HG GLU 60 2HG GLU 60 7.192 14.793 -8.954 450 2HG GLU 60 1HG GLU 60 7.414 15.916 -7.616 451 H LEU 61 H LEU 61 6.520 14.157 -4.714 452 HA LEU 61 HA LEU 61 6.010 16.941 -4.625 453 1HB LEU 61 2HB LEU 61 4.680 14.523 -3.512 454 2HB LEU 61 1HB LEU 61 4.226 16.089 -2.874 455 HG LEU 61 HG LEU 61 3.624 16.823 -5.162 456 1HD1 LEU 61 1HD1 LEU 61 5.092 15.349 -6.430 457 2HD1 LEU 61 2HD1 LEU 61 3.414 15.177 -6.945 458 3HD1 LEU 61 3HD1 LEU 61 4.150 13.952 -5.910 459 1HD2 LEU 61 1HD2 LEU 61 2.260 14.309 -4.206 460 2HD2 LEU 61 2HD2 LEU 61 1.580 15.481 -5.337 461 3HD2 LEU 61 3HD2 LEU 61 1.916 15.955 -3.671 462 H ILE 62 H ILE 62 7.337 14.689 -2.241 463 HA ILE 62 HA ILE 62 7.143 16.657 -0.136 464 HB ILE 62 HB ILE 62 8.266 15.044 1.296 465 1HG1 ILE 62 2HG1 ILE 62 8.473 13.324 -1.188 466 2HG1 ILE 62 1HG1 ILE 62 9.822 14.100 -0.367 467 1HG2 ILE 62 1HG2 ILE 62 6.087 13.829 -0.398 468 2HG2 ILE 62 2HG2 ILE 62 5.864 14.868 1.011 469 3HG2 ILE 62 3HG2 ILE 62 6.575 13.265 1.200 470 1HD1 ILE 62 1HD1 ILE 62 9.431 12.739 1.601 471 2HD1 ILE 62 2HD1 ILE 62 9.659 11.730 0.170 472 3HD1 ILE 62 3HD1 ILE 62 8.039 11.991 0.819 473 H LYS 63 H LYS 63 9.388 15.975 -2.599 474 HA LYS 63 HA LYS 63 11.643 17.131 -1.219 475 1HB LYS 63 2HB LYS 63 12.024 15.453 -2.965 476 2HB LYS 63 1HB LYS 63 11.249 16.492 -4.153 477 1HG LYS 63 2HG LYS 63 13.577 17.576 -2.664 478 2HG LYS 63 1HG LYS 63 13.874 16.361 -3.909 479 1HD LYS 63 2HD LYS 63 12.972 17.722 -5.599 480 2HD LYS 63 1HD LYS 63 12.184 18.789 -4.437 481 1HE LYS 63 2HE LYS 63 15.169 18.510 -4.766 482 2HE LYS 63 1HE LYS 63 14.194 19.781 -5.501 483 1HZ LYS 63 1HZ LYS 63 15.137 20.640 -3.514 484 2HZ LYS 63 2HZ LYS 63 14.629 19.308 -2.601 485 3HZ LYS 63 3HZ LYS 63 13.487 20.401 -3.213 486 H VAL 64 H VAL 64 9.226 18.156 -3.568 487 HA VAL 64 HA VAL 64 10.296 20.797 -3.866 488 HB VAL 64 HB VAL 64 7.533 19.759 -4.516 489 1HG1 VAL 64 1HG1 VAL 64 8.941 22.250 -5.474 490 2HG1 VAL 64 2HG1 VAL 64 7.604 22.198 -4.326 491 3HG1 VAL 64 3HG1 VAL 64 7.353 21.689 -5.996 492 1HG2 VAL 64 1HG2 VAL 64 9.985 20.037 -6.248 493 2HG2 VAL 64 2HG2 VAL 64 8.375 19.601 -6.821 494 3HG2 VAL 64 3HG2 VAL 64 9.238 18.529 -5.718 495 H ARG 65 H ARG 65 7.757 19.296 -1.951 496 HA ARG 65 HA ARG 65 7.204 21.857 -0.617 497 1HB ARG 65 2HB ARG 65 5.707 19.233 -0.463 498 2HB ARG 65 1HB ARG 65 5.201 20.760 0.243 499 1HG ARG 65 2HG ARG 65 4.904 21.723 -1.945 500 2HG ARG 65 1HG ARG 65 5.523 20.253 -2.703 501 1HD ARG 65 2HD ARG 65 3.081 20.320 -2.760 502 2HD ARG 65 1HD ARG 65 3.667 18.977 -1.779 503 HE ARG 65 HE ARG 65 2.518 21.480 -0.725 504 1HH1 ARG 65 1HH1 ARG 65 3.367 18.101 -0.312 505 2HH1 ARG 65 2HH1 ARG 65 2.471 17.933 1.168 506 1HH2 ARG 65 1HH2 ARG 65 1.316 21.231 1.215 507 2HH2 ARG 65 2HH2 ARG 65 1.331 19.688 2.028 508 H ARG 66 H ARG 66 6.221 20.938 1.766 509 HA ARG 66 HA ARG 66 8.386 19.337 2.949 510 1HB ARG 66 2HB ARG 66 7.254 21.891 3.792 511 2HB ARG 66 1HB ARG 66 7.195 20.679 5.064 512 1HG ARG 66 2HG ARG 66 9.228 21.840 5.339 513 2HG ARG 66 1HG ARG 66 9.637 20.269 4.649 514 1HD ARG 66 2HD ARG 66 9.653 21.392 2.392 515 2HD ARG 66 1HD ARG 66 9.522 22.931 3.244 516 HE ARG 66 HE ARG 66 11.858 21.280 2.990 517 1HH1 ARG 66 1HH1 ARG 66 10.300 23.767 4.914 518 2HH1 ARG 66 2HH1 ARG 66 11.770 24.240 5.711 519 1HH2 ARG 66 1HH2 ARG 66 13.779 21.927 3.985 520 2HH2 ARG 66 2HH2 ARG 66 13.763 23.209 5.167 521 HA PRO 67 HA PRO 67 5.112 16.389 3.621 522 1HB PRO 67 2HB PRO 67 6.982 15.339 5.665 523 2HB PRO 67 1HB PRO 67 6.252 14.517 4.283 524 1HG PRO 67 2HG PRO 67 8.836 15.196 4.284 525 2HG PRO 67 1HG PRO 67 7.857 15.289 2.807 526 1HD PRO 67 2HD PRO 67 8.755 17.484 4.627 527 2HD PRO 67 1HD PRO 67 8.621 17.470 2.858 528 H LYS 68 H LYS 68 3.396 17.136 4.727 529 HA LYS 68 HA LYS 68 3.640 18.639 7.122 530 1HB LYS 68 2HB LYS 68 1.852 18.934 5.393 531 2HB LYS 68 1HB LYS 68 1.139 17.427 5.945 532 1HG LYS 68 2HG LYS 68 0.736 18.377 8.133 533 2HG LYS 68 1HG LYS 68 1.534 19.875 7.653 534 1HD LYS 68 2HD LYS 68 -0.875 18.789 6.208 535 2HD LYS 68 1HD LYS 68 -1.011 19.855 7.605 536 1HE LYS 68 2HE LYS 68 -1.185 21.196 5.636 537 2HE LYS 68 1HE LYS 68 0.376 21.527 6.377 538 1HZ LYS 68 1HZ LYS 68 1.472 20.237 4.743 539 2HZ LYS 68 2HZ LYS 68 0.402 21.254 3.912 540 3HZ LYS 68 3HZ LYS 68 0.015 19.615 4.130 541 H TYR 69 H TYR 69 1.668 15.695 6.669 542 HA TYR 69 HA TYR 69 1.923 15.107 9.503 543 1HB TYR 69 2HB TYR 69 0.538 13.358 7.478 544 2HB TYR 69 1HB TYR 69 0.228 13.485 9.202 545 HD1 TYR 69 1HD TYR 69 -0.465 14.832 5.916 546 HD2 TYR 69 2HD TYR 69 -1.052 15.413 10.089 547 HE1 TYR 69 1HE TYR 69 -2.312 16.369 5.433 548 HE2 TYR 69 2HE TYR 69 -2.904 16.966 9.614 549 HH TYR 69 HH TYR 69 -4.265 17.247 6.458 550 H VAL 70 H VAL 70 2.390 13.293 6.495 551 HA VAL 70 HA VAL 70 3.576 11.062 7.730 552 HB VAL 70 HB VAL 70 2.412 10.891 5.596 553 1HG1 VAL 70 1HG1 VAL 70 3.033 13.028 4.622 554 2HG1 VAL 70 2HG1 VAL 70 3.425 11.707 3.521 555 3HG1 VAL 70 3HG1 VAL 70 4.702 12.487 4.455 556 1HG2 VAL 70 1HG2 VAL 70 4.096 9.205 6.149 557 2HG2 VAL 70 2HG2 VAL 70 5.326 10.165 5.327 558 3HG2 VAL 70 3HG2 VAL 70 3.991 9.468 4.408 559 H HIS 71 H HIS 71 5.662 10.404 7.922 560 HA HIS 71 HA HIS 71 7.751 12.433 7.568 561 1HB HIS 71 2HB HIS 71 7.210 10.586 9.568 562 2HB HIS 71 1HB HIS 71 8.518 9.825 8.673 563 HD1 HIS 71 1HD HIS 71 8.154 13.530 9.446 564 HD2 HIS 71 2HD HIS 71 10.594 10.289 10.365 565 HE1 HIS 71 1HE HIS 71 10.062 14.471 10.786 566 HE2 HIS 71 2HE HIS 71 11.630 12.528 11.133 567 H LYS 72 H LYS 72 9.600 12.012 6.251 568 HA LYS 72 HA LYS 72 9.045 10.605 3.877 569 1HB LYS 72 2HB LYS 72 10.644 12.516 4.076 570 2HB LYS 72 1HB LYS 72 11.765 11.449 4.906 571 1HG LYS 72 2HG LYS 72 10.761 10.700 2.196 572 2HG LYS 72 1HG LYS 72 12.025 11.921 2.354 573 1HD LYS 72 2HD LYS 72 12.236 9.228 3.676 574 2HD LYS 72 1HD LYS 72 12.757 9.496 2.009 575 1HE LYS 72 2HE LYS 72 14.593 10.630 2.635 576 2HE LYS 72 1HE LYS 72 13.748 11.477 3.930 577 1HZ LYS 72 1HZ LYS 72 15.591 9.767 4.491 578 2HZ LYS 72 2HZ LYS 72 14.366 8.616 4.241 579 3HZ LYS 72 3HZ LYS 72 14.179 9.817 5.424 580 H GLU 73 H GLU 73 10.872 9.774 6.742 581 HA GLU 73 HA GLU 73 11.991 7.363 5.874 582 1HB GLU 73 2HB GLU 73 11.211 8.266 8.643 583 2HB GLU 73 1HB GLU 73 12.158 6.826 8.310 584 1HG GLU 73 2HG GLU 73 13.598 8.637 8.966 585 2HG GLU 73 1HG GLU 73 13.899 8.213 7.286 586 H GLN 74 H GLN 74 8.800 8.146 7.020 587 HA GLN 74 HA GLN 74 7.924 5.509 7.581 588 1HB GLN 74 2HB GLN 74 6.483 8.081 6.977 589 2HB GLN 74 1HB GLN 74 5.614 6.585 7.251 590 1HG GLN 74 2HG GLN 74 6.675 6.419 9.474 591 2HG GLN 74 1HG GLN 74 7.438 7.984 9.185 592 1HE2 GLN 74 1HE2 GLN 74 4.454 6.322 9.837 593 2HE2 GLN 74 2HE2 GLN 74 3.526 7.731 10.215 594 H ILE 75 H ILE 75 7.725 7.588 4.728 595 HA ILE 75 HA ILE 75 6.171 5.929 3.098 596 HB ILE 75 HB ILE 75 8.368 7.833 2.265 597 1HG1 ILE 75 2HG1 ILE 75 5.380 8.258 2.515 598 2HG1 ILE 75 1HG1 ILE 75 6.587 8.869 3.640 599 1HG2 ILE 75 1HG2 ILE 75 7.218 7.916 0.101 600 2HG2 ILE 75 2HG2 ILE 75 6.082 6.688 0.660 601 3HG2 ILE 75 3HG2 ILE 75 7.789 6.288 0.468 602 1HD1 ILE 75 1HD1 ILE 75 7.542 10.237 1.860 603 2HD1 ILE 75 2HD1 ILE 75 5.841 10.607 2.127 604 3HD1 ILE 75 3HD1 ILE 75 6.325 9.630 0.739 605 H GLU 76 H GLU 76 9.657 6.016 3.626 606 HA GLU 76 HA GLU 76 10.398 4.117 1.695 607 1HB GLU 76 2HB GLU 76 11.691 4.784 4.343 608 2HB GLU 76 1HB GLU 76 12.443 3.825 3.077 609 1HG GLU 76 2HG GLU 76 12.368 5.739 1.570 610 2HG GLU 76 1HG GLU 76 11.597 6.708 2.823 611 H ALA 77 H ALA 77 9.274 3.765 5.012 612 HA ALA 77 HA ALA 77 9.820 0.957 5.171 613 1HB ALA 77 1HB ALA 77 8.049 2.678 6.905 614 2HB ALA 77 2HB ALA 77 9.761 2.356 7.177 615 3HB ALA 77 3HB ALA 77 8.586 1.044 7.280 616 H VAL 78 H VAL 78 7.045 2.945 4.341 617 HA VAL 78 HA VAL 78 5.048 0.994 4.403 618 HB VAL 78 HB VAL 78 5.276 3.431 2.629 619 1HG1 VAL 78 1HG1 VAL 78 2.845 3.213 2.304 620 2HG1 VAL 78 2HG1 VAL 78 2.883 1.665 3.150 621 3HG1 VAL 78 3HG1 VAL 78 3.730 1.853 1.614 622 1HG2 VAL 78 1HG2 VAL 78 3.783 2.932 5.199 623 2HG2 VAL 78 2HG2 VAL 78 3.703 4.410 4.239 624 3HG2 VAL 78 3HG2 VAL 78 5.220 3.935 5.002 625 H LYS 79 H LYS 79 7.397 1.782 1.898 626 HA LYS 79 HA LYS 79 6.390 0.338 -0.237 627 1HB LYS 79 2HB LYS 79 8.382 1.736 -0.428 628 2HB LYS 79 1HB LYS 79 9.277 0.636 0.612 629 1HG LYS 79 2HG LYS 79 8.617 -1.132 -1.208 630 2HG LYS 79 1HG LYS 79 8.431 0.299 -2.220 631 1HD LYS 79 2HD LYS 79 10.710 0.934 -1.858 632 2HD LYS 79 1HD LYS 79 10.920 -0.327 -0.639 633 1HE LYS 79 2HE LYS 79 10.356 -1.987 -2.476 634 2HE LYS 79 1HE LYS 79 10.547 -0.648 -3.607 635 1HZ LYS 79 1HZ LYS 79 12.634 -1.592 -1.716 636 2HZ LYS 79 2HZ LYS 79 12.815 -0.371 -2.876 637 3HZ LYS 79 3HZ LYS 79 12.572 -1.975 -3.367 638 H ASP 80 H ASP 80 8.538 -0.824 2.357 639 HA ASP 80 HA ASP 80 8.542 -3.500 1.338 640 1HB ASP 80 2HB ASP 80 10.451 -2.544 2.629 641 2HB ASP 80 1HB ASP 80 9.435 -2.551 4.068 642 H ASN 81 H ASN 81 6.961 -1.841 4.049 643 HA ASN 81 HA ASN 81 5.729 -4.100 5.172 644 1HB ASN 81 2HB ASN 81 5.188 -1.165 5.294 645 2HB ASN 81 1HB ASN 81 3.982 -2.277 5.931 646 1HD2 ASN 81 1HD2 ASN 81 4.245 -1.612 8.023 647 2HD2 ASN 81 2HD2 ASN 81 5.652 -1.968 8.961 648 H PHE 82 H PHE 82 4.783 -2.083 2.467 649 HA PHE 82 HA PHE 82 2.122 -3.019 2.241 650 1HB PHE 82 2HB PHE 82 3.028 -0.985 1.108 651 2HB PHE 82 1HB PHE 82 3.935 -2.035 0.026 652 HD1 PHE 82 1HD PHE 82 0.450 -1.416 1.191 653 HD2 PHE 82 2HD PHE 82 2.995 -2.633 -1.992 654 HE1 PHE 82 1HE PHE 82 -1.493 -1.517 -0.316 655 HE2 PHE 82 2HE PHE 82 1.060 -2.733 -3.506 656 HZ PHE 82 HZ PHE 82 -1.189 -2.176 -2.670 657 H LEU 83 H LEU 83 5.121 -4.001 0.594 658 HA LEU 83 HA LEU 83 3.971 -6.201 -0.768 659 1HB LEU 83 2HB LEU 83 6.827 -5.616 0.009 660 2HB LEU 83 1HB LEU 83 6.351 -6.960 -1.010 661 HG LEU 83 HG LEU 83 5.876 -4.052 -1.677 662 1HD1 LEU 83 1HD1 LEU 83 7.959 -5.973 -2.714 663 2HD1 LEU 83 2HD1 LEU 83 8.258 -4.584 -1.669 664 3HD1 LEU 83 3HD1 LEU 83 7.668 -4.340 -3.313 665 1HD2 LEU 83 1HD2 LEU 83 4.247 -5.573 -2.676 666 2HD2 LEU 83 2HD2 LEU 83 5.559 -6.556 -3.329 667 3HD2 LEU 83 3HD2 LEU 83 5.328 -4.902 -3.896 668 H GLU 84 H GLU 84 5.488 -5.814 2.368 669 HA GLU 84 HA GLU 84 5.612 -8.500 3.151 670 1HB GLU 84 2HB GLU 84 6.699 -6.742 4.426 671 2HB GLU 84 1HB GLU 84 5.148 -6.003 4.789 672 1HG GLU 84 2HG GLU 84 5.925 -7.179 6.720 673 2HG GLU 84 1HG GLU 84 4.524 -8.024 6.063 674 H LEU 85 H LEU 85 3.019 -6.091 3.488 675 HA LEU 85 HA LEU 85 1.176 -7.576 4.919 676 1HB LEU 85 2HB LEU 85 1.082 -5.135 4.122 677 2HB LEU 85 1HB LEU 85 0.417 -5.768 2.634 678 HG LEU 85 HG LEU 85 -0.892 -6.347 5.283 679 1HD1 LEU 85 1HD1 LEU 85 -1.398 -3.978 3.483 680 2HD1 LEU 85 2HD1 LEU 85 -0.682 -3.921 5.093 681 3HD1 LEU 85 3HD1 LEU 85 -2.357 -4.434 4.892 682 1HD2 LEU 85 1HD2 LEU 85 -1.578 -7.692 3.345 683 2HD2 LEU 85 2HD2 LEU 85 -1.958 -6.213 2.459 684 3HD2 LEU 85 3HD2 LEU 85 -2.877 -6.638 3.903 685 H VAL 86 H VAL 86 1.676 -7.471 1.409 686 HA VAL 86 HA VAL 86 -0.284 -9.401 0.751 687 HB VAL 86 HB VAL 86 2.250 -8.750 -0.769 688 1HG1 VAL 86 1HG1 VAL 86 1.179 -10.811 -1.509 689 2HG1 VAL 86 2HG1 VAL 86 1.035 -9.538 -2.723 690 3HG1 VAL 86 3HG1 VAL 86 -0.348 -9.950 -1.708 691 1HG2 VAL 86 1HG2 VAL 86 0.948 -6.740 -0.332 692 2HG2 VAL 86 2HG2 VAL 86 -0.495 -7.521 -0.980 693 3HG2 VAL 86 3HG2 VAL 86 0.875 -7.181 -2.038 694 H LEU 87 H LEU 87 3.184 -9.657 1.429 695 HA LEU 87 HA LEU 87 3.471 -12.375 0.749 696 1HB LEU 87 2HB LEU 87 5.339 -10.807 0.917 697 2HB LEU 87 1HB LEU 87 5.095 -10.692 2.649 698 HG LEU 87 HG LEU 87 5.660 -13.093 2.867 699 1HD1 LEU 87 1HD1 LEU 87 6.281 -12.882 -0.077 700 2HD1 LEU 87 2HD1 LEU 87 5.004 -13.854 0.653 701 3HD1 LEU 87 3HD1 LEU 87 6.695 -14.246 0.964 702 1HD2 LEU 87 1HD2 LEU 87 8.047 -12.846 2.451 703 2HD2 LEU 87 2HD2 LEU 87 7.374 -11.378 3.160 704 3HD2 LEU 87 3HD2 LEU 87 7.731 -11.438 1.435 705 H GLN 88 H GLN 88 3.156 -10.868 3.986 706 HA GLN 88 HA GLN 88 3.140 -13.384 5.302 707 1HB GLN 88 2HB GLN 88 2.464 -12.102 7.326 708 2HB GLN 88 1HB GLN 88 3.918 -11.510 6.544 709 1HG GLN 88 2HG GLN 88 2.853 -9.555 7.050 710 2HG GLN 88 1HG GLN 88 2.275 -9.827 5.409 711 1HE2 GLN 88 1HE2 GLN 88 0.135 -10.221 5.062 712 2HE2 GLN 88 2HE2 GLN 88 -1.060 -10.139 6.307 713 H SER 89 H SER 89 0.782 -11.835 3.513 714 HA SER 89 HA SER 89 -1.521 -12.828 4.886 715 1HB SER 89 2HB SER 89 -1.513 -10.930 3.201 716 2HB SER 89 1HB SER 89 -1.300 -12.140 1.939 717 HG SER 89 HG SER 89 -3.552 -11.324 2.964 718 H TYR 90 H TYR 90 0.859 -14.139 2.799 719 HA TYR 90 HA TYR 90 -0.743 -16.555 2.350 720 1HB TYR 90 2HB TYR 90 1.844 -15.674 1.053 721 2HB TYR 90 1HB TYR 90 0.952 -17.140 0.659 722 HD1 TYR 90 1HD TYR 90 -1.683 -16.570 0.177 723 HD2 TYR 90 2HD TYR 90 1.612 -13.956 -0.454 724 HE1 TYR 90 1HE TYR 90 -2.991 -15.332 -1.495 725 HE2 TYR 90 2HE TYR 90 0.309 -12.709 -2.126 726 HH TYR 90 HH TYR 90 -1.624 -13.113 -3.640 727 H VAL 91 H VAL 91 2.575 -15.609 3.305 728 HA VAL 91 HA VAL 91 3.212 -18.266 4.150 729 HB VAL 91 HB VAL 91 5.307 -17.301 5.025 730 1HG1 VAL 91 1HG1 VAL 91 5.175 -17.983 2.698 731 2HG1 VAL 91 2HG1 VAL 91 6.194 -16.552 2.858 732 3HG1 VAL 91 3HG1 VAL 91 4.547 -16.397 2.249 733 1HG2 VAL 91 1HG2 VAL 91 4.148 -14.668 4.119 734 2HG2 VAL 91 2HG2 VAL 91 5.806 -14.932 4.659 735 3HG2 VAL 91 3HG2 VAL 91 4.465 -15.144 5.786 736 H HIS 92 H HIS 92 1.804 -15.537 5.709 737 HA HIS 92 HA HIS 92 0.788 -15.297 7.724 738 1HB HIS 92 2HB HIS 92 1.068 -18.308 7.814 739 2HB HIS 92 1HB HIS 92 0.086 -17.362 8.924 740 HD1 HIS 92 1HD HIS 92 -1.111 -19.568 7.049 741 HD2 HIS 92 2HD HIS 92 -1.051 -15.488 6.247 742 HE1 HIS 92 1HE HIS 92 -2.960 -19.174 5.392 743 HE2 HIS 92 2HE HIS 92 -2.772 -16.734 4.783 744 H HIS 93 H HIS 93 3.724 -15.077 7.691 745 HA HIS 93 HA HIS 93 4.573 -16.299 10.172 746 1HB HIS 93 2HB HIS 93 6.763 -15.376 9.759 747 2HB HIS 93 1HB HIS 93 6.160 -16.097 8.280 748 HD1 HIS 93 1HD HIS 93 8.349 -13.705 8.842 749 HD2 HIS 93 2HD HIS 93 4.589 -13.420 7.093 750 HE1 HIS 93 1HE HIS 93 8.432 -11.653 7.391 751 HE2 HIS 93 2HE HIS 93 6.114 -11.429 6.415 752 H ILE 94 H ILE 94 2.601 -15.045 11.073 753 HA ILE 94 HA ILE 94 3.644 -12.682 12.459 754 HB ILE 94 HB ILE 94 1.455 -11.524 12.204 755 1HG1 ILE 94 2HG1 ILE 94 0.917 -13.594 10.061 756 2HG1 ILE 94 1HG1 ILE 94 0.147 -13.582 11.642 757 1HG2 ILE 94 1HG2 ILE 94 3.342 -10.893 10.802 758 2HG2 ILE 94 2HG2 ILE 94 1.822 -10.725 9.925 759 3HG2 ILE 94 3HG2 ILE 94 2.876 -12.105 9.608 760 1HD1 ILE 94 1HD1 ILE 94 -0.829 -11.395 11.131 761 2HD1 ILE 94 2HD1 ILE 94 -1.319 -12.638 9.979 762 3HD1 ILE 94 3HD1 ILE 94 -0.088 -11.457 9.532 763 H HIS 95 H HIS 95 1.778 -12.038 14.169 764 HA HIS 95 HA HIS 95 0.570 -14.504 15.199 765 1HB HIS 95 2HB HIS 95 2.177 -12.496 16.777 766 2HB HIS 95 1HB HIS 95 1.052 -13.615 17.541 767 HD1 HIS 95 1HD HIS 95 1.813 -16.009 17.872 768 HD2 HIS 95 2HD HIS 95 4.472 -13.739 15.611 769 HE1 HIS 95 1HE HIS 95 3.878 -17.425 17.623 770 HE2 HIS 95 2HE HIS 95 5.409 -16.101 16.120 771 H LYS 96 H LYS 96 -1.165 -13.446 13.918 772 HA LYS 96 HA LYS 96 -3.226 -12.541 13.837 773 1HB LYS 96 2HB LYS 96 -3.435 -13.762 15.999 774 2HB LYS 96 1HB LYS 96 -3.005 -12.278 16.837 775 1HG LYS 96 2HG LYS 96 -5.405 -12.609 16.866 776 2HG LYS 96 1HG LYS 96 -4.996 -11.183 15.908 777 1HD LYS 96 2HD LYS 96 -5.189 -12.551 13.856 778 2HD LYS 96 1HD LYS 96 -5.673 -13.928 14.847 779 1HE LYS 96 2HE LYS 96 -7.147 -11.304 14.637 780 2HE LYS 96 1HE LYS 96 -7.598 -12.806 13.834 781 1HZ LYS 96 1HZ LYS 96 -8.921 -12.613 15.763 782 2HZ LYS 96 2HZ LYS 96 -7.592 -12.242 16.745 783 3HZ LYS 96 3HZ LYS 96 -7.761 -13.804 16.106 784 H LYS 97 H LYS 97 -1.966 -10.636 16.566 785 HA LYS 97 HA LYS 97 -3.316 -8.296 15.798 786 1HB LYS 97 2HB LYS 97 -2.349 -9.003 18.088 787 2HB LYS 97 1HB LYS 97 -0.844 -8.308 17.507 788 1HG LYS 97 2HG LYS 97 -1.926 -6.661 18.816 789 2HG LYS 97 1HG LYS 97 -2.086 -6.164 17.130 790 1HD LYS 97 2HD LYS 97 -4.351 -6.956 17.054 791 2HD LYS 97 1HD LYS 97 -4.205 -7.668 18.660 792 1HE LYS 97 2HE LYS 97 -3.839 -5.392 19.578 793 2HE LYS 97 1HE LYS 97 -4.127 -4.735 17.967 794 1HZ LYS 97 1HZ LYS 97 -6.116 -4.663 19.370 795 2HZ LYS 97 2HZ LYS 97 -6.080 -6.351 19.521 796 3HZ LYS 97 3HZ LYS 97 -6.348 -5.643 18.005 797 H ARG 98 H ARG 98 -0.193 -9.553 14.980 798 HA ARG 98 HA ARG 98 1.147 -7.219 14.231 799 1HB ARG 98 2HB ARG 98 2.084 -9.565 14.542 800 2HB ARG 98 1HB ARG 98 1.511 -9.909 12.918 801 1HG ARG 98 2HG ARG 98 2.940 -8.124 12.037 802 2HG ARG 98 1HG ARG 98 3.519 -7.793 13.673 803 1HD ARG 98 2HD ARG 98 4.275 -10.184 13.779 804 2HD ARG 98 1HD ARG 98 3.889 -10.313 12.066 805 HE ARG 98 HE ARG 98 5.624 -8.122 12.520 806 1HH1 ARG 98 1HH1 ARG 98 5.563 -11.617 12.317 807 2HH1 ARG 98 2HH1 ARG 98 7.253 -11.764 11.950 808 1HH2 ARG 98 1HH2 ARG 98 7.875 -8.316 12.082 809 2HH2 ARG 98 2HH2 ARG 98 8.561 -9.891 11.819 810 H PHE 99 H PHE 99 -1.233 -9.140 12.531 811 HA PHE 99 HA PHE 99 -0.723 -8.184 9.923 812 1HB PHE 99 2HB PHE 99 -2.108 -10.173 10.359 813 2HB PHE 99 1HB PHE 99 -3.334 -9.155 11.110 814 HD1 PHE 99 1HD PHE 99 -5.086 -8.370 9.817 815 HD2 PHE 99 2HD PHE 99 -1.471 -9.554 7.917 816 HE1 PHE 99 1HE PHE 99 -6.128 -8.011 7.616 817 HE2 PHE 99 2HE PHE 99 -2.505 -9.202 5.716 818 HZ PHE 99 HZ PHE 99 -4.832 -8.429 5.562 819 H LYS 100 H LYS 100 -2.997 -7.124 12.426 820 HA LYS 100 HA LYS 100 -4.098 -5.007 10.905 821 1HB LYS 100 2HB LYS 100 -4.162 -5.796 13.785 822 2HB LYS 100 1HB LYS 100 -4.681 -4.174 13.350 823 1HG LYS 100 2HG LYS 100 -6.569 -5.704 13.497 824 2HG LYS 100 1HG LYS 100 -6.368 -5.094 11.856 825 1HD LYS 100 2HD LYS 100 -5.189 -7.193 11.272 826 2HD LYS 100 1HD LYS 100 -5.524 -7.799 12.893 827 1HE LYS 100 2HE LYS 100 -7.137 -8.660 11.265 828 2HE LYS 100 1HE LYS 100 -7.923 -7.640 12.470 829 1HZ LYS 100 1HZ LYS 100 -8.190 -5.915 10.940 830 2HZ LYS 100 2HZ LYS 100 -8.561 -7.306 10.040 831 3HZ LYS 100 3HZ LYS 100 -7.051 -6.552 9.861 832 H ASP 101 H ASP 101 -1.383 -5.254 13.106 833 HA ASP 101 HA ASP 101 -0.777 -2.537 13.414 834 1HB ASP 101 2HB ASP 101 0.294 -4.349 14.713 835 2HB ASP 101 1HB ASP 101 1.131 -4.886 13.261 836 H ILE 102 H ILE 102 0.443 -4.879 11.033 837 HA ILE 102 HA ILE 102 1.954 -3.056 9.511 838 HB ILE 102 HB ILE 102 0.611 -5.605 8.587 839 1HG1 ILE 102 2HG1 ILE 102 3.447 -5.124 9.524 840 2HG1 ILE 102 1HG1 ILE 102 2.185 -5.885 10.487 841 1HG2 ILE 102 1HG2 ILE 102 2.856 -4.030 7.331 842 2HG2 ILE 102 2HG2 ILE 102 1.218 -4.194 6.699 843 3HG2 ILE 102 3HG2 ILE 102 2.278 -5.602 6.786 844 1HD1 ILE 102 1HD1 ILE 102 3.355 -6.939 7.918 845 2HD1 ILE 102 2HD1 ILE 102 2.055 -7.699 8.838 846 3HD1 ILE 102 3HD1 ILE 102 3.662 -7.545 9.544 847 H THR 103 H THR 103 -1.395 -4.177 9.141 848 HA THR 103 HA THR 103 -2.010 -2.822 6.773 849 HB THR 103 HB THR 103 -3.940 -3.306 9.055 850 HG1 THR 103 1HG THR 103 -2.691 -5.212 8.312 851 1HG2 THR 103 1HG2 THR 103 -5.601 -3.475 7.256 852 2HG2 THR 103 2HG2 THR 103 -4.350 -3.093 6.071 853 3HG2 THR 103 3HG2 THR 103 -4.822 -1.894 7.276 854 H GLU 104 H GLU 104 -2.462 -1.798 10.149 855 HA GLU 104 HA GLU 104 -3.573 0.714 9.598 856 1HB GLU 104 2HB GLU 104 -3.077 -0.780 11.836 857 2HB GLU 104 1HB GLU 104 -1.909 0.520 12.016 858 1HG GLU 104 2HG GLU 104 -4.877 0.849 11.666 859 2HG GLU 104 1HG GLU 104 -3.980 1.014 13.170 860 H SER 105 H SER 105 -0.208 -0.259 10.214 861 HA SER 105 HA SER 105 0.957 2.267 10.198 862 1HB SER 105 2HB SER 105 2.145 -0.316 9.157 863 2HB SER 105 1HB SER 105 3.054 1.125 9.609 864 HG SER 105 HG SER 105 1.512 -0.565 11.300 865 H VAL 106 H VAL 106 0.215 0.121 7.459 866 HA VAL 106 HA VAL 106 1.370 1.827 5.488 867 HB VAL 106 HB VAL 106 -0.729 -0.329 5.168 868 1HG1 VAL 106 1HG1 VAL 106 -0.731 1.200 3.277 869 2HG1 VAL 106 2HG1 VAL 106 -0.052 -0.360 2.814 870 3HG1 VAL 106 3HG1 VAL 106 1.013 1.016 3.106 871 1HG2 VAL 106 1HG2 VAL 106 1.147 -1.730 4.449 872 2HG2 VAL 106 2HG2 VAL 106 1.348 -1.179 6.111 873 3HG2 VAL 106 3HG2 VAL 106 2.267 -0.417 4.812 874 H LEU 107 H LEU 107 -2.002 1.279 6.517 875 HA LEU 107 HA LEU 107 -3.157 3.099 4.707 876 1HB LEU 107 2HB LEU 107 -4.103 1.922 7.302 877 2HB LEU 107 1HB LEU 107 -5.087 3.056 6.403 878 HG LEU 107 HG LEU 107 -4.103 0.397 5.351 879 1HD1 LEU 107 1HD1 LEU 107 -5.793 0.140 7.096 880 2HD1 LEU 107 2HD1 LEU 107 -6.438 -0.285 5.511 881 3HD1 LEU 107 3HD1 LEU 107 -6.851 1.266 6.240 882 1HD2 LEU 107 1HD2 LEU 107 -5.606 0.831 3.480 883 2HD2 LEU 107 2HD2 LEU 107 -4.359 2.073 3.593 884 3HD2 LEU 107 3HD2 LEU 107 -5.996 2.414 4.152 885 H TYR 108 H TYR 108 -1.939 3.541 7.987 886 HA TYR 108 HA TYR 108 -2.891 6.096 8.538 887 1HB TYR 108 2HB TYR 108 -1.714 4.659 10.166 888 2HB TYR 108 1HB TYR 108 -0.211 4.894 9.285 889 HD1 TYR 108 1HD TYR 108 -2.719 6.522 11.429 890 HD2 TYR 108 2HD TYR 108 1.088 6.890 9.570 891 HE1 TYR 108 1HE TYR 108 -2.227 8.479 12.834 892 HE2 TYR 108 2HE TYR 108 1.587 8.852 10.961 893 HH TYR 108 HH TYR 108 -0.163 9.641 13.704 894 H THR 109 H THR 109 0.092 5.125 6.902 895 HA THR 109 HA THR 109 1.019 7.743 6.351 896 HB THR 109 HB THR 109 1.658 5.138 4.952 897 HG1 THR 109 1HG THR 109 2.374 4.840 6.973 898 1HG2 THR 109 1HG2 THR 109 3.160 7.758 5.003 899 2HG2 THR 109 2HG2 THR 109 2.324 7.068 3.613 900 3HG2 THR 109 3HG2 THR 109 3.742 6.258 4.281 901 H LEU 110 H LEU 110 -0.860 5.396 4.474 902 HA LEU 110 HA LEU 110 -0.930 6.795 2.058 903 1HB LEU 110 2HB LEU 110 -2.988 4.947 3.269 904 2HB LEU 110 1HB LEU 110 -3.019 5.504 1.607 905 HG LEU 110 HG LEU 110 -0.818 3.837 2.834 906 1HD1 LEU 110 1HD1 LEU 110 -1.699 2.030 1.440 907 2HD1 LEU 110 2HD1 LEU 110 -3.037 3.069 0.945 908 3HD1 LEU 110 3HD1 LEU 110 -2.882 2.573 2.630 909 1HD2 LEU 110 1HD2 LEU 110 -0.018 5.281 1.039 910 2HD2 LEU 110 2HD2 LEU 110 -1.302 4.694 -0.018 911 3HD2 LEU 110 3HD2 LEU 110 -0.038 3.592 0.530 912 H HIS 111 H HIS 111 -3.008 7.055 4.909 913 HA HIS 111 HA HIS 111 -4.904 8.831 3.779 914 1HB HIS 111 2HB HIS 111 -4.066 8.512 6.669 915 2HB HIS 111 1HB HIS 111 -5.474 9.412 6.126 916 HD1 HIS 111 1HD HIS 111 -5.952 7.197 8.073 917 HD2 HIS 111 2HD HIS 111 -5.931 6.588 3.962 918 HE1 HIS 111 1HE HIS 111 -7.272 5.093 7.693 919 HE2 HIS 111 2HE HIS 111 -7.393 4.840 5.188 920 H ALA 112 H ALA 112 -1.814 9.328 5.365 921 HA ALA 112 HA ALA 112 -2.088 12.123 5.743 922 1HB ALA 112 1HB ALA 112 0.403 10.440 5.581 923 2HB ALA 112 2HB ALA 112 -0.521 10.793 7.042 924 3HB ALA 112 3HB ALA 112 0.314 12.092 6.187 925 H VAL 113 H VAL 113 -0.723 10.139 3.170 926 HA VAL 113 HA VAL 113 0.290 12.363 1.665 927 HB VAL 113 HB VAL 113 -0.300 9.546 0.732 928 1HG1 VAL 113 1HG1 VAL 113 1.298 10.034 -1.062 929 2HG1 VAL 113 2HG1 VAL 113 1.430 11.697 -0.487 930 3HG1 VAL 113 3HG1 VAL 113 -0.103 11.102 -1.127 931 1HG2 VAL 113 1HG2 VAL 113 1.274 9.536 2.577 932 2HG2 VAL 113 2HG2 VAL 113 2.256 10.762 1.774 933 3HG2 VAL 113 3HG2 VAL 113 2.103 9.152 1.069 934 H LYS 114 H LYS 114 -2.585 10.354 1.579 935 HA LYS 114 HA LYS 114 -3.775 11.239 -0.770 936 1HB LYS 114 2HB LYS 114 -4.412 9.310 0.739 937 2HB LYS 114 1HB LYS 114 -5.201 10.474 1.782 938 1HG LYS 114 2HG LYS 114 -5.961 10.212 -1.107 939 2HG LYS 114 1HG LYS 114 -6.620 9.132 0.120 940 1HD LYS 114 2HD LYS 114 -7.142 11.433 1.332 941 2HD LYS 114 1HD LYS 114 -7.102 12.032 -0.329 942 1HE LYS 114 2HE LYS 114 -8.829 9.801 0.742 943 2HE LYS 114 1HE LYS 114 -9.368 11.417 0.291 944 1HZ LYS 114 1HZ LYS 114 -8.850 10.964 -1.987 945 2HZ LYS 114 2HZ LYS 114 -9.819 9.702 -1.404 946 3HZ LYS 114 3HZ LYS 114 -8.151 9.465 -1.599 947 H ASP 115 H ASP 115 -3.961 12.581 2.506 948 HA ASP 115 HA ASP 115 -5.895 14.567 1.927 949 1HB ASP 115 2HB ASP 115 -5.400 13.789 4.215 950 2HB ASP 115 1HB ASP 115 -3.809 14.537 4.118 951 H GLU 116 H GLU 116 -2.363 14.598 1.935 952 HA GLU 116 HA GLU 116 -2.014 17.355 1.520 953 1HB GLU 116 2HB GLU 116 -0.280 14.972 0.909 954 2HB GLU 116 1HB GLU 116 0.236 16.616 0.553 955 1HG GLU 116 2HG GLU 116 -0.613 15.711 3.290 956 2HG GLU 116 1HG GLU 116 1.055 15.660 2.721 957 H ILE 117 H ILE 117 -2.370 14.676 -0.758 958 HA ILE 117 HA ILE 117 -1.845 16.111 -3.113 959 HB ILE 117 HB ILE 117 -3.642 13.709 -2.734 960 1HG1 ILE 117 2HG1 ILE 117 -0.750 13.930 -3.601 961 2HG1 ILE 117 1HG1 ILE 117 -1.308 13.350 -2.036 962 1HG2 ILE 117 1HG2 ILE 117 -3.351 13.333 -5.138 963 2HG2 ILE 117 2HG2 ILE 117 -2.446 14.842 -5.264 964 3HG2 ILE 117 3HG2 ILE 117 -4.153 14.871 -4.821 965 1HD1 ILE 117 1HD1 ILE 117 -0.670 11.518 -3.487 966 2HD1 ILE 117 2HD1 ILE 117 -1.840 12.049 -4.696 967 3HD1 ILE 117 3HD1 ILE 117 -2.395 11.462 -3.128 968 H ALA 118 H ALA 118 -4.895 15.513 -1.396 969 HA ALA 118 HA ALA 118 -6.525 16.950 -3.233 970 1HB ALA 118 1HB ALA 118 -8.257 16.793 -1.553 971 2HB ALA 118 2HB ALA 118 -7.070 16.348 -0.328 972 3HB ALA 118 3HB ALA 118 -7.403 15.253 -1.670 973 H ARG 119 H ARG 119 -4.627 17.848 -0.450 974 HA ARG 119 HA ARG 119 -5.773 20.391 0.026 975 1HB ARG 119 2HB ARG 119 -4.499 19.475 1.778 976 2HB ARG 119 1HB ARG 119 -3.138 19.123 0.724 977 1HG ARG 119 2HG ARG 119 -2.553 21.436 0.595 978 2HG ARG 119 1HG ARG 119 -4.026 21.908 1.447 979 1HD ARG 119 2HD ARG 119 -1.961 20.095 2.668 980 2HD ARG 119 1HD ARG 119 -1.879 21.851 2.809 981 HE ARG 119 HE ARG 119 -3.862 21.820 4.103 982 1HH1 ARG 119 1HH1 ARG 119 -2.538 18.634 3.448 983 2HH1 ARG 119 2HH1 ARG 119 -3.615 17.828 4.557 984 1HH2 ARG 119 1HH2 ARG 119 -5.193 20.768 5.631 985 2HH2 ARG 119 2HH2 ARG 119 -5.069 19.054 5.843 986 H GLU 120 H GLU 120 -2.906 19.390 -1.828 987 HA GLU 120 HA GLU 120 -2.263 22.076 -2.542 988 1HB GLU 120 2HB GLU 120 -1.238 19.455 -3.570 989 2HB GLU 120 1HB GLU 120 -0.598 21.015 -4.063 990 1HG GLU 120 2HG GLU 120 -0.572 19.822 -1.303 991 2HG GLU 120 1HG GLU 120 0.811 20.108 -2.359 992 H ASP 121 H ASP 121 -4.320 19.678 -3.874 993 HA ASP 121 HA ASP 121 -5.751 19.681 -5.629 994 1HB ASP 121 2HB ASP 121 -6.448 21.885 -5.034 995 2HB ASP 121 1HB ASP 121 -4.990 22.603 -5.709 996 H SER 122 H SER 122 -4.983 18.353 -7.125 997 HA SER 122 HA SER 122 -2.563 18.967 -8.572 998 1HB SER 122 2HB SER 122 -4.441 16.608 -8.827 999 2HB SER 122 1HB SER 122 -2.825 16.731 -9.524 1000 HG SER 122 HG SER 122 -2.914 17.223 -6.822 1001 H ARG 123 H ARG 123 -2.859 20.561 -10.039 1002 HA ARG 123 HA ARG 123 -5.115 20.456 -11.863 1003 1HB ARG 123 2HB ARG 123 -4.560 22.638 -11.076 1004 2HB ARG 123 1HB ARG 123 -2.866 22.427 -11.495 1005 1HG ARG 123 2HG ARG 123 -3.469 22.383 -13.873 1006 2HG ARG 123 1HG ARG 123 -5.160 22.630 -13.437 1007 1HD ARG 123 2HD ARG 123 -2.956 24.529 -12.670 1008 2HD ARG 123 1HD ARG 123 -3.899 24.686 -14.151 1009 HE ARG 123 HE ARG 123 -5.562 24.488 -11.837 1010 1HH1 ARG 123 1HH1 ARG 123 -3.530 26.699 -13.622 1011 2HH1 ARG 123 2HH1 ARG 123 -4.463 28.105 -13.199 1012 1HH2 ARG 123 1HH2 ARG 123 -6.770 26.315 -11.238 1013 2HH2 ARG 123 2HH2 ARG 123 -6.305 27.891 -11.820 Start of MODEL 13 1 1H MET 1 1HT MET 1 -9.907 19.350 -14.621 2 2H MET 1 2HT MET 1 -9.203 17.934 -15.243 3 3H MET 1 3HT MET 1 -8.919 19.431 -15.997 4 HA MET 1 HA MET 1 -7.044 18.633 -14.662 5 1HB MET 1 2HB MET 1 -8.414 21.192 -13.849 6 2HB MET 1 1HB MET 1 -6.798 20.768 -13.309 7 1HG MET 1 2HG MET 1 -7.660 21.117 -16.168 8 2HG MET 1 1HG MET 1 -6.742 22.278 -15.211 9 1HE MET 1 1HE MET 1 -4.902 22.361 -17.163 10 2HE MET 1 2HE MET 1 -5.856 21.196 -18.080 11 3HE MET 1 3HE MET 1 -4.133 20.919 -17.829 12 H LEU 2 H LEU 2 -7.426 16.806 -13.464 13 HA LEU 2 HA LEU 2 -8.159 17.333 -10.659 14 1HB LEU 2 2HB LEU 2 -8.432 14.814 -12.302 15 2HB LEU 2 1HB LEU 2 -8.497 14.803 -10.552 16 HG LEU 2 HG LEU 2 -10.444 16.449 -10.775 17 1HD1 LEU 2 1HD1 LEU 2 -11.696 16.341 -12.866 18 2HD1 LEU 2 2HD1 LEU 2 -10.398 15.400 -13.601 19 3HD1 LEU 2 3HD1 LEU 2 -10.107 17.068 -13.105 20 1HD2 LEU 2 1HD2 LEU 2 -10.785 13.634 -11.801 21 2HD2 LEU 2 2HD2 LEU 2 -12.041 14.646 -11.086 22 3HD2 LEU 2 3HD2 LEU 2 -10.678 14.107 -10.105 23 H SER 3 H SER 3 -7.066 15.194 -9.427 24 HA SER 3 HA SER 3 -4.213 15.610 -9.834 25 1HB SER 3 2HB SER 3 -4.180 14.199 -7.635 26 2HB SER 3 1HB SER 3 -4.733 15.874 -7.580 27 HG SER 3 HG SER 3 -6.470 15.054 -6.736 28 H GLN 4 H GLN 4 -5.982 13.913 -11.551 29 HA GLN 4 HA GLN 4 -5.335 11.184 -11.086 30 1HB GLN 4 2HB GLN 4 -7.327 12.001 -12.369 31 2HB GLN 4 1HB GLN 4 -6.238 12.475 -13.664 32 1HG GLN 4 2HG GLN 4 -5.655 10.233 -14.123 33 2HG GLN 4 1HG GLN 4 -6.419 9.657 -12.641 34 1HE2 GLN 4 1HE2 GLN 4 -6.933 10.774 -15.890 35 2HE2 GLN 4 2HE2 GLN 4 -8.598 10.321 -15.993 36 H THR 5 H THR 5 -3.248 10.840 -10.923 37 HA THR 5 HA THR 5 -1.459 10.525 -13.001 38 HB THR 5 HB THR 5 -1.214 13.227 -11.659 39 HG1 THR 5 1HG THR 5 -2.278 13.157 -13.679 40 1HG2 THR 5 1HG2 THR 5 1.041 13.434 -12.603 41 2HG2 THR 5 2HG2 THR 5 0.973 11.754 -13.132 42 3HG2 THR 5 3HG2 THR 5 0.955 12.138 -11.411 43 H LEU 6 H LEU 6 -2.057 11.366 -9.674 44 HA LEU 6 HA LEU 6 0.118 9.584 -8.799 45 1HB LEU 6 2HB LEU 6 0.749 11.975 -8.570 46 2HB LEU 6 1HB LEU 6 -0.647 12.222 -7.539 47 HG LEU 6 HG LEU 6 0.376 10.490 -5.977 48 1HD1 LEU 6 1HD1 LEU 6 2.805 11.050 -7.673 49 2HD1 LEU 6 2HD1 LEU 6 1.948 9.511 -7.564 50 3HD1 LEU 6 3HD1 LEU 6 2.786 10.158 -6.152 51 1HD2 LEU 6 1HD2 LEU 6 1.830 13.088 -6.456 52 2HD2 LEU 6 2HD2 LEU 6 1.900 12.131 -4.975 53 3HD2 LEU 6 3HD2 LEU 6 0.377 12.866 -5.478 54 H LEU 7 H LEU 7 -3.142 10.586 -8.548 55 HA LEU 7 HA LEU 7 -3.549 9.784 -5.821 56 1HB LEU 7 2HB LEU 7 -4.836 11.606 -6.868 57 2HB LEU 7 1HB LEU 7 -5.561 10.453 -7.970 58 HG LEU 7 HG LEU 7 -6.614 9.303 -6.048 59 1HD1 LEU 7 1HD1 LEU 7 -6.629 10.391 -3.859 60 2HD1 LEU 7 2HD1 LEU 7 -5.476 11.590 -4.449 61 3HD1 LEU 7 3HD1 LEU 7 -5.003 9.895 -4.329 62 1HD2 LEU 7 1HD2 LEU 7 -7.857 10.992 -7.277 63 2HD2 LEU 7 2HD2 LEU 7 -7.196 12.255 -6.239 64 3HD2 LEU 7 3HD2 LEU 7 -8.276 11.035 -5.564 65 H GLU 8 H GLU 8 -4.435 8.487 -9.001 66 HA GLU 8 HA GLU 8 -6.002 6.340 -8.157 67 1HB GLU 8 2HB GLU 8 -4.228 5.943 -10.521 68 2HB GLU 8 1HB GLU 8 -5.933 5.582 -10.328 69 1HG GLU 8 2HG GLU 8 -5.909 7.308 -11.868 70 2HG GLU 8 1HG GLU 8 -6.272 8.124 -10.348 71 H MET 9 H MET 9 -2.525 6.519 -8.721 72 HA MET 9 HA MET 9 -1.837 3.871 -8.216 73 1HB MET 9 2HB MET 9 -0.292 5.509 -9.134 74 2HB MET 9 1HB MET 9 -0.326 6.418 -7.630 75 1HG MET 9 2HG MET 9 0.765 4.603 -6.471 76 2HG MET 9 1HG MET 9 0.730 3.620 -7.936 77 1HE MET 9 1HE MET 9 3.116 7.554 -7.617 78 2HE MET 9 2HE MET 9 2.106 6.926 -6.316 79 3HE MET 9 3HE MET 9 1.364 7.481 -7.817 80 H THR 10 H THR 10 -2.255 6.582 -5.985 81 HA THR 10 HA THR 10 -1.569 5.177 -3.623 82 HB THR 10 HB THR 10 -3.435 7.548 -3.869 83 HG1 THR 10 1HG THR 10 -1.580 8.261 -4.792 84 1HG2 THR 10 1HG2 THR 10 -3.451 6.508 -1.662 85 2HG2 THR 10 2HG2 THR 10 -2.640 8.073 -1.599 86 3HG2 THR 10 3HG2 THR 10 -1.689 6.588 -1.596 87 H GLU 11 H GLU 11 -4.636 5.883 -5.238 88 HA GLU 11 HA GLU 11 -6.406 4.742 -3.418 89 1HB GLU 11 2HB GLU 11 -6.595 4.891 -6.432 90 2HB GLU 11 1HB GLU 11 -7.940 4.527 -5.366 91 1HG GLU 11 2HG GLU 11 -6.372 7.094 -5.383 92 2HG GLU 11 1HG GLU 11 -7.956 6.848 -6.116 93 H GLN 12 H GLN 12 -4.709 3.264 -6.156 94 HA GLN 12 HA GLN 12 -5.870 0.716 -5.980 95 1HB GLN 12 2HB GLN 12 -4.531 1.551 -7.905 96 2HB GLN 12 1HB GLN 12 -3.079 1.408 -6.926 97 1HG GLN 12 2HG GLN 12 -3.442 -1.010 -6.753 98 2HG GLN 12 1HG GLN 12 -4.887 -0.856 -7.752 99 1HE2 GLN 12 1HE2 GLN 12 -2.475 -2.393 -8.233 100 2HE2 GLN 12 2HE2 GLN 12 -1.829 -1.839 -9.744 101 H MET 13 H MET 13 -3.000 2.084 -4.415 102 HA MET 13 HA MET 13 -2.168 -0.328 -3.183 103 1HB MET 13 2HB MET 13 -0.682 1.619 -3.488 104 2HB MET 13 1HB MET 13 -1.642 2.524 -2.325 105 1HG MET 13 2HG MET 13 -1.011 1.030 -0.557 106 2HG MET 13 1HG MET 13 -0.182 -0.029 -1.697 107 1HE MET 13 1HE MET 13 1.296 2.075 -3.604 108 2HE MET 13 2HE MET 13 2.048 0.614 -2.965 109 3HE MET 13 3HE MET 13 2.862 2.169 -2.798 110 H ILE 14 H ILE 14 -4.301 2.294 -2.187 111 HA ILE 14 HA ILE 14 -4.698 1.470 0.478 112 HB ILE 14 HB ILE 14 -6.584 2.979 -1.346 113 1HG1 ILE 14 2HG1 ILE 14 -4.667 3.969 0.773 114 2HG1 ILE 14 1HG1 ILE 14 -4.408 4.082 -0.964 115 1HG2 ILE 14 1HG2 ILE 14 -7.708 3.721 0.692 116 2HG2 ILE 14 2HG2 ILE 14 -6.654 2.691 1.658 117 3HG2 ILE 14 3HG2 ILE 14 -7.791 1.969 0.521 118 1HD1 ILE 14 1HD1 ILE 14 -6.595 5.440 0.607 119 2HD1 ILE 14 2HD1 ILE 14 -6.386 5.526 -1.143 120 3HD1 ILE 14 3HD1 ILE 14 -5.156 6.201 -0.076 121 H GLU 15 H GLU 15 -6.540 0.806 -2.475 122 HA GLU 15 HA GLU 15 -8.601 -0.690 -1.335 123 1HB GLU 15 2HB GLU 15 -8.517 0.261 -3.649 124 2HB GLU 15 1HB GLU 15 -7.441 -1.059 -4.091 125 1HG GLU 15 2HG GLU 15 -9.578 -1.692 -4.786 126 2HG GLU 15 1HG GLU 15 -9.248 -2.632 -3.339 127 H VAL 16 H VAL 16 -5.470 -1.753 -2.634 128 HA VAL 16 HA VAL 16 -5.921 -4.519 -2.387 129 HB VAL 16 HB VAL 16 -3.307 -2.993 -2.273 130 1HG1 VAL 16 1HG1 VAL 16 -3.754 -5.941 -2.751 131 2HG1 VAL 16 2HG1 VAL 16 -3.103 -5.235 -1.272 132 3HG1 VAL 16 3HG1 VAL 16 -2.205 -5.097 -2.785 133 1HG2 VAL 16 1HG2 VAL 16 -3.088 -3.651 -4.617 134 2HG2 VAL 16 2HG2 VAL 16 -4.539 -2.683 -4.355 135 3HG2 VAL 16 3HG2 VAL 16 -4.669 -4.432 -4.548 136 H ALA 17 H ALA 17 -4.492 -2.186 -0.110 137 HA ALA 17 HA ALA 17 -3.848 -4.094 1.877 138 1HB ALA 17 1HB ALA 17 -2.844 -1.864 1.809 139 2HB ALA 17 2HB ALA 17 -3.589 -2.195 3.372 140 3HB ALA 17 3HB ALA 17 -4.406 -1.150 2.211 141 H GLU 18 H GLU 18 -6.631 -1.925 1.487 142 HA GLU 18 HA GLU 18 -8.033 -2.655 3.784 143 1HB GLU 18 2HB GLU 18 -8.875 -1.570 1.107 144 2HB GLU 18 1HB GLU 18 -10.011 -1.805 2.418 145 1HG GLU 18 2HG GLU 18 -7.525 -0.161 2.727 146 2HG GLU 18 1HG GLU 18 -9.038 0.517 2.134 147 H LYS 19 H LYS 19 -8.171 -3.984 0.492 148 HA LYS 19 HA LYS 19 -10.248 -5.839 1.150 149 1HB LYS 19 2HB LYS 19 -8.612 -5.224 -1.236 150 2HB LYS 19 1HB LYS 19 -9.243 -6.861 -1.132 151 1HG LYS 19 2HG LYS 19 -10.709 -5.324 -2.389 152 2HG LYS 19 1HG LYS 19 -11.502 -6.036 -0.981 153 1HD LYS 19 2HD LYS 19 -10.970 -3.967 0.287 154 2HD LYS 19 1HD LYS 19 -10.333 -3.264 -1.199 155 1HE LYS 19 2HE LYS 19 -12.537 -3.537 -2.251 156 2HE LYS 19 1HE LYS 19 -13.161 -4.198 -0.738 157 1HZ LYS 19 1HZ LYS 19 -12.031 -1.468 -1.097 158 2HZ LYS 19 2HZ LYS 19 -12.663 -2.103 0.348 159 3HZ LYS 19 3HZ LYS 19 -13.686 -1.848 -0.982 160 H GLY 20 H GLY 20 -6.728 -6.025 0.937 161 1HA GLY 20 2HA GLY 20 -6.555 -8.840 1.178 162 2HA GLY 20 1HA GLY 20 -5.281 -7.695 1.559 163 H ALA 21 H ALA 21 -6.540 -6.249 3.600 164 HA ALA 21 HA ALA 21 -6.055 -7.904 5.831 165 1HB ALA 21 1HB ALA 21 -7.528 -5.273 5.739 166 2HB ALA 21 2HB ALA 21 -5.781 -5.466 5.878 167 3HB ALA 21 3HB ALA 21 -6.837 -6.029 7.174 168 H ASP 22 H ASP 22 -9.061 -6.741 4.358 169 HA ASP 22 HA ASP 22 -10.783 -7.956 6.263 170 1HB ASP 22 2HB ASP 22 -11.509 -6.070 4.895 171 2HB ASP 22 1HB ASP 22 -11.328 -7.033 3.435 172 H ARG 23 H ARG 23 -9.548 -8.966 3.103 173 HA ARG 23 HA ARG 23 -11.151 -11.277 2.858 174 1HB ARG 23 2HB ARG 23 -9.781 -10.114 1.037 175 2HB ARG 23 1HB ARG 23 -8.393 -10.975 1.682 176 1HG ARG 23 2HG ARG 23 -9.391 -13.095 1.192 177 2HG ARG 23 1HG ARG 23 -10.901 -12.322 0.709 178 1HD ARG 23 2HD ARG 23 -9.712 -11.205 -1.132 179 2HD ARG 23 1HD ARG 23 -8.232 -12.043 -0.665 180 HE ARG 23 HE ARG 23 -9.748 -14.132 -1.047 181 1HH1 ARG 23 1HH1 ARG 23 -9.675 -11.181 -2.950 182 2HH1 ARG 23 2HH1 ARG 23 -10.235 -11.962 -4.402 183 1HH2 ARG 23 1HH2 ARG 23 -10.483 -15.154 -2.981 184 2HH2 ARG 23 2HH2 ARG 23 -10.671 -14.202 -4.424 185 H TYR 24 H TYR 24 -8.026 -10.687 4.356 186 HA TYR 24 HA TYR 24 -7.456 -13.422 4.910 187 1HB TYR 24 2HB TYR 24 -5.776 -11.527 4.857 188 2HB TYR 24 1HB TYR 24 -6.421 -11.012 6.411 189 HD1 TYR 24 1HD TYR 24 -4.604 -13.692 4.658 190 HD2 TYR 24 2HD TYR 24 -5.811 -12.154 8.439 191 HE1 TYR 24 1HE TYR 24 -3.059 -15.241 5.774 192 HE2 TYR 24 2HE TYR 24 -4.266 -13.704 9.564 193 HH TYR 24 HH TYR 24 -3.132 -15.816 9.131 194 H GLN 25 H GLN 25 -9.141 -10.850 6.559 195 HA GLN 25 HA GLN 25 -9.453 -12.107 9.070 196 1HB GLN 25 2HB GLN 25 -9.772 -9.720 8.820 197 2HB GLN 25 1HB GLN 25 -11.081 -9.979 7.675 198 1HG GLN 25 2HG GLN 25 -12.361 -11.086 9.502 199 2HG GLN 25 1HG GLN 25 -11.083 -10.594 10.616 200 1HE2 GLN 25 1HE2 GLN 25 -13.721 -9.542 8.623 201 2HE2 GLN 25 2HE2 GLN 25 -13.818 -7.932 9.254 202 H GLU 26 H GLU 26 -11.662 -11.785 6.305 203 HA GLU 26 HA GLU 26 -13.675 -13.449 7.419 204 1HB GLU 26 2HB GLU 26 -13.191 -12.632 4.550 205 2HB GLU 26 1HB GLU 26 -14.660 -13.389 5.154 206 1HG GLU 26 2HG GLU 26 -13.580 -10.712 6.010 207 2HG GLU 26 1HG GLU 26 -14.924 -10.979 4.901 208 H GLY 27 H GLY 27 -11.131 -13.996 5.021 209 1HA GLY 27 2HA GLY 27 -9.898 -16.011 4.890 210 2HA GLY 27 1HA GLY 27 -11.225 -16.842 5.688 211 H LYS 28 H LYS 28 -13.019 -17.482 4.509 212 HA LYS 28 HA LYS 28 -13.996 -18.551 2.785 213 1HB LYS 28 2HB LYS 28 -14.409 -16.330 1.882 214 2HB LYS 28 1HB LYS 28 -12.808 -16.292 1.159 215 1HG LYS 28 2HG LYS 28 -14.547 -16.763 -0.494 216 2HG LYS 28 1HG LYS 28 -13.410 -18.103 -0.340 217 1HD LYS 28 2HD LYS 28 -15.028 -19.241 1.154 218 2HD LYS 28 1HD LYS 28 -16.172 -17.931 0.863 219 1HE LYS 28 2HE LYS 28 -16.692 -19.804 -0.579 220 2HE LYS 28 1HE LYS 28 -16.113 -18.449 -1.547 221 1HZ LYS 28 1HZ LYS 28 -15.090 -20.437 -2.336 222 2HZ LYS 28 2HZ LYS 28 -14.586 -20.879 -0.783 223 3HZ LYS 28 3HZ LYS 28 -13.893 -19.530 -1.546 224 H ASN 29 H ASN 29 -12.836 -20.405 2.959 225 HA ASN 29 HA ASN 29 -10.221 -20.803 2.023 226 1HB ASN 29 2HB ASN 29 -12.456 -22.791 2.466 227 2HB ASN 29 1HB ASN 29 -10.784 -23.239 2.137 228 1HD2 ASN 29 1HD2 ASN 29 -9.217 -22.920 3.717 229 2HD2 ASN 29 2HD2 ASN 29 -9.639 -22.588 5.367 230 H SER 30 H SER 30 -9.444 -20.922 0.072 231 HA SER 30 HA SER 30 -11.221 -21.366 -2.192 232 1HB SER 30 2HB SER 30 -8.276 -20.663 -2.204 233 2HB SER 30 1HB SER 30 -9.413 -20.520 -3.548 234 HG SER 30 HG SER 30 -10.203 -19.195 -1.274 235 H ASN 31 H ASN 31 -11.613 -23.459 -2.437 236 HA ASN 31 HA ASN 31 -10.236 -25.556 -1.336 237 1HB ASN 31 2HB ASN 31 -11.978 -25.589 -3.802 238 2HB ASN 31 1HB ASN 31 -11.527 -27.008 -2.863 239 1HD2 ASN 31 1HD2 ASN 31 -12.478 -27.353 -0.859 240 2HD2 ASN 31 2HD2 ASN 31 -13.860 -26.462 -0.325 241 H HIS 32 H HIS 32 -10.197 -24.809 -4.838 242 HA HIS 32 HA HIS 32 -7.423 -25.745 -4.892 243 1HB HIS 32 2HB HIS 32 -7.910 -27.023 -7.015 244 2HB HIS 32 1HB HIS 32 -8.559 -27.731 -5.544 245 HD1 HIS 32 1HD HIS 32 -11.040 -28.147 -5.455 246 HD2 HIS 32 2HD HIS 32 -9.901 -25.837 -8.727 247 HE1 HIS 32 1HE HIS 32 -13.079 -27.983 -6.918 248 HE2 HIS 32 2HE HIS 32 -12.333 -26.701 -8.953 249 H SER 33 H SER 33 -8.250 -23.155 -4.903 250 HA SER 33 HA SER 33 -7.383 -22.303 -7.564 251 1HB SER 33 2HB SER 33 -9.665 -20.959 -6.093 252 2HB SER 33 1HB SER 33 -9.087 -20.603 -7.720 253 HG SER 33 HG SER 33 -9.861 -22.599 -8.403 254 H TYR 34 H TYR 34 -6.341 -20.219 -7.557 255 HA TYR 34 HA TYR 34 -5.410 -18.305 -6.734 256 1HB TYR 34 2HB TYR 34 -6.716 -19.096 -4.129 257 2HB TYR 34 1HB TYR 34 -5.745 -17.643 -4.328 258 HD1 TYR 34 1HD TYR 34 -8.947 -19.242 -5.020 259 HD2 TYR 34 2HD TYR 34 -6.573 -15.780 -5.691 260 HE1 TYR 34 1HE TYR 34 -10.948 -18.021 -5.757 261 HE2 TYR 34 2HE TYR 34 -8.566 -14.546 -6.430 262 HH TYR 34 HH TYR 34 -10.788 -15.020 -7.357 263 H ASP 35 H ASP 35 -4.713 -21.418 -5.629 264 HA ASP 35 HA ASP 35 -2.564 -20.703 -3.856 265 1HB ASP 35 2HB ASP 35 -3.842 -22.793 -3.545 266 2HB ASP 35 1HB ASP 35 -3.224 -23.387 -5.081 267 H PHE 36 H PHE 36 -1.205 -19.434 -5.005 268 HA PHE 36 HA PHE 36 0.727 -18.980 -6.070 269 1HB PHE 36 2HB PHE 36 0.801 -21.969 -6.366 270 2HB PHE 36 1HB PHE 36 2.054 -20.937 -7.044 271 HD1 PHE 36 1HD PHE 36 3.604 -19.761 -5.620 272 HD2 PHE 36 2HD PHE 36 0.565 -22.240 -3.971 273 HE1 PHE 36 1HE PHE 36 4.759 -19.729 -3.447 274 HE2 PHE 36 2HE PHE 36 1.717 -22.215 -1.799 275 HZ PHE 36 HZ PHE 36 3.816 -20.959 -1.532 276 H PHE 37 H PHE 37 1.634 -18.597 -8.097 277 HA PHE 37 HA PHE 37 1.773 -18.306 -10.327 278 1HB PHE 37 2HB PHE 37 1.395 -20.795 -10.390 279 2HB PHE 37 1HB PHE 37 -0.313 -20.464 -10.660 280 HD1 PHE 37 1HD PHE 37 3.069 -19.929 -12.054 281 HD2 PHE 37 2HD PHE 37 -1.117 -19.993 -12.815 282 HE1 PHE 37 1HE PHE 37 3.507 -19.747 -14.469 283 HE2 PHE 37 2HE PHE 37 -0.684 -19.817 -15.230 284 HZ PHE 37 HZ PHE 37 1.630 -19.694 -16.058 285 H GLU 38 H GLU 38 -1.649 -18.912 -9.523 286 HA GLU 38 HA GLU 38 -2.656 -17.313 -11.611 287 1HB GLU 38 2HB GLU 38 -4.003 -18.145 -9.043 288 2HB GLU 38 1HB GLU 38 -4.820 -17.497 -10.458 289 1HG GLU 38 2HG GLU 38 -4.034 -19.433 -11.761 290 2HG GLU 38 1HG GLU 38 -3.300 -20.087 -10.298 291 H THR 39 H THR 39 -3.068 -16.606 -8.136 292 HA THR 39 HA THR 39 -3.437 -13.811 -8.863 293 HB THR 39 HB THR 39 -3.778 -15.014 -6.120 294 HG1 THR 39 1HG THR 39 -5.921 -14.721 -7.938 295 1HG2 THR 39 1HG2 THR 39 -5.397 -13.202 -5.839 296 2HG2 THR 39 2HG2 THR 39 -5.099 -12.661 -7.490 297 3HG2 THR 39 3HG2 THR 39 -3.819 -12.553 -6.281 298 H ILE 40 H ILE 40 -1.051 -15.820 -7.388 299 HA ILE 40 HA ILE 40 0.091 -13.699 -5.792 300 HB ILE 40 HB ILE 40 1.302 -16.423 -6.273 301 1HG1 ILE 40 2HG1 ILE 40 -0.789 -15.588 -4.248 302 2HG1 ILE 40 1HG1 ILE 40 -0.990 -16.765 -5.538 303 1HG2 ILE 40 1HG2 ILE 40 2.768 -14.804 -5.189 304 2HG2 ILE 40 2HG2 ILE 40 2.293 -16.066 -4.053 305 3HG2 ILE 40 3HG2 ILE 40 1.531 -14.477 -3.975 306 1HD1 ILE 40 1HD1 ILE 40 0.656 -18.220 -4.453 307 2HD1 ILE 40 2HD1 ILE 40 -0.720 -17.871 -3.407 308 3HD1 ILE 40 3HD1 ILE 40 0.815 -17.046 -3.149 309 H LYS 41 H LYS 41 0.062 -13.870 -8.919 310 HA LYS 41 HA LYS 41 2.863 -13.023 -9.142 311 1HB LYS 41 2HB LYS 41 2.464 -15.007 -10.518 312 2HB LYS 41 1HB LYS 41 1.168 -14.171 -11.364 313 1HG LYS 41 2HG LYS 41 2.788 -12.523 -12.195 314 2HG LYS 41 1HG LYS 41 4.079 -13.398 -11.368 315 1HD LYS 41 2HD LYS 41 3.605 -15.375 -12.720 316 2HD LYS 41 1HD LYS 41 2.311 -14.505 -13.545 317 1HE LYS 41 2HE LYS 41 4.322 -14.514 -14.904 318 2HE LYS 41 1HE LYS 41 3.949 -12.877 -14.372 319 1HZ LYS 41 1HZ LYS 41 6.333 -13.482 -14.203 320 2HZ LYS 41 2HZ LYS 41 5.931 -14.640 -13.030 321 3HZ LYS 41 3HZ LYS 41 5.659 -12.995 -12.731 322 HA PRO 42 HA PRO 42 0.570 -9.911 -12.080 323 1HB PRO 42 2HB PRO 42 -2.178 -9.780 -11.745 324 2HB PRO 42 1HB PRO 42 -1.352 -10.608 -13.068 325 1HG PRO 42 2HG PRO 42 -2.467 -11.725 -10.535 326 2HG PRO 42 1HG PRO 42 -2.512 -12.399 -12.175 327 1HD PRO 42 2HD PRO 42 -0.801 -13.324 -10.353 328 2HD PRO 42 1HD PRO 42 -0.323 -13.163 -12.053 329 H ALA 43 H ALA 43 -0.870 -10.595 -8.931 330 HA ALA 43 HA ALA 43 -1.392 -7.891 -8.251 331 1HB ALA 43 1HB ALA 43 -1.632 -8.709 -5.964 332 2HB ALA 43 2HB ALA 43 -0.918 -10.252 -6.432 333 3HB ALA 43 3HB ALA 43 -2.474 -9.762 -7.102 334 H VAL 44 H VAL 44 1.303 -10.094 -7.568 335 HA VAL 44 HA VAL 44 2.817 -8.306 -6.010 336 HB VAL 44 HB VAL 44 3.797 -10.612 -7.704 337 1HG1 VAL 44 1HG1 VAL 44 5.119 -9.211 -5.383 338 2HG1 VAL 44 2HG1 VAL 44 5.608 -9.101 -7.074 339 3HG1 VAL 44 3HG1 VAL 44 5.735 -10.637 -6.216 340 1HG2 VAL 44 1HG2 VAL 44 3.717 -11.893 -5.605 341 2HG2 VAL 44 2HG2 VAL 44 2.123 -11.328 -6.104 342 3HG2 VAL 44 3HG2 VAL 44 2.983 -10.505 -4.803 343 H GLU 45 H GLU 45 2.785 -8.988 -9.486 344 HA GLU 45 HA GLU 45 4.919 -7.409 -10.298 345 1HB GLU 45 2HB GLU 45 2.301 -7.794 -11.751 346 2HB GLU 45 1HB GLU 45 3.832 -7.329 -12.466 347 1HG GLU 45 2HG GLU 45 3.114 -9.972 -11.243 348 2HG GLU 45 1HG GLU 45 3.460 -9.619 -12.930 349 H GLU 46 H GLU 46 1.492 -6.559 -9.961 350 HA GLU 46 HA GLU 46 1.687 -3.844 -10.533 351 1HB GLU 46 2HB GLU 46 -0.225 -5.538 -8.973 352 2HB GLU 46 1HB GLU 46 -0.396 -3.800 -8.989 353 1HG GLU 46 2HG GLU 46 -0.394 -5.573 -11.408 354 2HG GLU 46 1HG GLU 46 -1.820 -4.868 -10.649 355 H ASN 47 H ASN 47 1.812 -5.565 -7.420 356 HA ASN 47 HA ASN 47 1.926 -3.306 -5.783 357 1HB ASN 47 2HB ASN 47 3.034 -6.074 -5.302 358 2HB ASN 47 1HB ASN 47 2.909 -4.831 -4.064 359 1HD2 ASN 47 1HD2 ASN 47 0.348 -3.852 -5.183 360 2HD2 ASN 47 2HD2 ASN 47 -0.830 -5.013 -4.691 361 H ASP 48 H ASP 48 4.575 -5.205 -7.195 362 HA ASP 48 HA ASP 48 6.693 -3.850 -5.956 363 1HB ASP 48 2HB ASP 48 7.027 -5.953 -7.166 364 2HB ASP 48 1HB ASP 48 6.626 -5.161 -8.685 365 H GLU 49 H GLU 49 5.321 -3.332 -9.201 366 HA GLU 49 HA GLU 49 6.809 -1.031 -9.813 367 1HB GLU 49 2HB GLU 49 4.139 -1.998 -10.812 368 2HB GLU 49 1HB GLU 49 4.976 -0.604 -11.481 369 1HG GLU 49 2HG GLU 49 6.287 -3.289 -11.317 370 2HG GLU 49 1HG GLU 49 5.242 -2.843 -12.654 371 H LEU 50 H LEU 50 3.715 -1.471 -8.209 372 HA LEU 50 HA LEU 50 2.866 1.217 -8.224 373 1HB LEU 50 2HB LEU 50 1.581 -0.970 -7.685 374 2HB LEU 50 1HB LEU 50 2.178 -0.739 -6.054 375 HG LEU 50 HG LEU 50 1.077 1.531 -6.080 376 1HD1 LEU 50 1HD1 LEU 50 -0.707 1.869 -7.732 377 2HD1 LEU 50 2HD1 LEU 50 -0.188 0.410 -8.576 378 3HD1 LEU 50 3HD1 LEU 50 0.887 1.806 -8.488 379 1HD2 LEU 50 1HD2 LEU 50 -0.675 -0.897 -6.421 380 2HD2 LEU 50 2HD2 LEU 50 -1.156 0.619 -5.662 381 3HD2 LEU 50 3HD2 LEU 50 0.099 -0.378 -4.927 382 H ALA 51 H ALA 51 4.392 -0.730 -5.666 383 HA ALA 51 HA ALA 51 4.571 1.345 -3.773 384 1HB ALA 51 1HB ALA 51 4.737 -1.015 -3.170 385 2HB ALA 51 2HB ALA 51 6.141 -0.117 -2.593 386 3HB ALA 51 3HB ALA 51 6.271 -1.135 -4.029 387 H ALA 52 H ALA 52 6.785 0.258 -6.298 388 HA ALA 52 HA ALA 52 8.994 1.830 -5.521 389 1HB ALA 52 1HB ALA 52 8.267 0.874 -8.293 390 2HB ALA 52 2HB ALA 52 9.163 -0.058 -7.093 391 3HB ALA 52 3HB ALA 52 9.857 1.419 -7.758 392 H ARG 53 H ARG 53 6.567 2.379 -8.076 393 HA ARG 53 HA ARG 53 7.463 4.954 -8.747 394 1HB ARG 53 2HB ARG 53 5.974 3.213 -9.989 395 2HB ARG 53 1HB ARG 53 4.650 3.996 -9.139 396 1HG ARG 53 2HG ARG 53 6.573 5.628 -10.725 397 2HG ARG 53 1HG ARG 53 5.290 4.728 -11.526 398 1HD ARG 53 2HD ARG 53 3.642 5.868 -10.058 399 2HD ARG 53 1HD ARG 53 4.960 6.823 -9.387 400 HE ARG 53 HE ARG 53 5.238 7.443 -11.925 401 1HH1 ARG 53 1HH1 ARG 53 2.269 7.075 -10.105 402 2HH1 ARG 53 2HH1 ARG 53 1.401 8.271 -11.018 403 1HH2 ARG 53 1HH2 ARG 53 4.113 9.023 -13.133 404 2HH2 ARG 53 2HH2 ARG 53 2.458 9.381 -12.742 405 H TRP 54 H TRP 54 5.120 3.780 -6.390 406 HA TRP 54 HA TRP 54 3.872 6.263 -5.879 407 1HB TRP 54 2HB TRP 54 2.948 4.031 -5.208 408 2HB TRP 54 1HB TRP 54 4.165 3.962 -3.937 409 HD1 TRP 54 HD TRP 54 1.094 6.045 -4.984 410 HE1 TRP 54 1HE TRP 54 0.094 7.136 -2.882 411 HE3 TRP 54 3HE TRP 54 4.629 4.606 -1.583 412 HZ2 TRP 54 2HZ TRP 54 0.731 7.355 -0.135 413 HZ3 TRP 54 3HZ TRP 54 4.357 5.299 0.764 414 HH2 TRP 54 HH TRP 54 2.448 6.644 1.470 415 H ALA 55 H ALA 55 6.490 4.553 -4.180 416 HA ALA 55 HA ALA 55 6.981 6.509 -2.245 417 1HB ALA 55 1HB ALA 55 7.940 4.280 -2.117 418 2HB ALA 55 2HB ALA 55 9.209 5.504 -2.036 419 3HB ALA 55 3HB ALA 55 8.938 4.608 -3.533 420 H GLU 56 H GLU 56 8.361 6.077 -5.492 421 HA GLU 56 HA GLU 56 10.116 8.230 -5.477 422 1HB GLU 56 2HB GLU 56 8.621 6.859 -7.695 423 2HB GLU 56 1HB GLU 56 9.851 8.071 -7.962 424 1HG GLU 56 2HG GLU 56 10.238 5.446 -6.567 425 2HG GLU 56 1HG GLU 56 10.773 5.864 -8.188 426 H GLY 57 H GLY 57 6.698 8.035 -6.388 427 1HA GLY 57 2HA GLY 57 6.494 10.719 -7.299 428 2HA GLY 57 1HA GLY 57 5.153 9.667 -6.867 429 H ALA 58 H ALA 58 5.729 9.180 -4.193 430 HA ALA 58 HA ALA 58 4.675 11.483 -2.956 431 1HB ALA 58 1HB ALA 58 6.035 9.117 -1.671 432 2HB ALA 58 2HB ALA 58 4.329 9.209 -2.103 433 3HB ALA 58 3HB ALA 58 4.982 10.280 -0.864 434 H LEU 59 H LEU 59 7.953 10.128 -3.041 435 HA LEU 59 HA LEU 59 9.183 11.980 -1.349 436 1HB LEU 59 2HB LEU 59 10.191 10.306 -3.634 437 2HB LEU 59 1HB LEU 59 11.240 11.316 -2.679 438 HG LEU 59 HG LEU 59 9.618 8.990 -1.665 439 1HD1 LEU 59 1HD1 LEU 59 11.779 7.925 -1.293 440 2HD1 LEU 59 2HD1 LEU 59 12.596 9.326 -1.987 441 3HD1 LEU 59 3HD1 LEU 59 11.553 8.327 -2.996 442 1HD2 LEU 59 1HD2 LEU 59 10.778 9.351 0.460 443 2HD2 LEU 59 2HD2 LEU 59 9.771 10.732 0.022 444 3HD2 LEU 59 3HD2 LEU 59 11.519 10.811 -0.197 445 H GLU 60 H GLU 60 8.526 12.023 -4.797 446 HA GLU 60 HA GLU 60 9.923 14.281 -5.589 447 1HB GLU 60 2HB GLU 60 8.755 12.769 -7.134 448 2HB GLU 60 1HB GLU 60 7.206 13.330 -6.526 449 1HG GLU 60 2HG GLU 60 7.612 14.387 -8.615 450 2HG GLU 60 1HG GLU 60 7.770 15.600 -7.348 451 H LEU 61 H LEU 61 6.581 14.113 -4.336 452 HA LEU 61 HA LEU 61 6.097 16.881 -4.546 453 1HB LEU 61 2HB LEU 61 4.764 14.614 -3.155 454 2HB LEU 61 1HB LEU 61 4.336 16.238 -2.656 455 HG LEU 61 HG LEU 61 2.735 15.449 -4.274 456 1HD1 LEU 61 1HD1 LEU 61 2.897 17.215 -5.945 457 2HD1 LEU 61 2HD1 LEU 61 4.583 17.484 -5.504 458 3HD1 LEU 61 3HD1 LEU 61 3.303 17.812 -4.336 459 1HD2 LEU 61 1HD2 LEU 61 4.086 13.777 -5.403 460 2HD2 LEU 61 2HD2 LEU 61 5.079 15.045 -6.126 461 3HD2 LEU 61 3HD2 LEU 61 3.378 14.896 -6.567 462 H ILE 62 H ILE 62 7.144 14.908 -1.771 463 HA ILE 62 HA ILE 62 7.144 17.136 0.017 464 HB ILE 62 HB ILE 62 8.225 15.687 1.626 465 1HG1 ILE 62 2HG1 ILE 62 8.489 13.670 -0.612 466 2HG1 ILE 62 1HG1 ILE 62 9.820 14.601 0.068 467 1HG2 ILE 62 1HG2 ILE 62 6.579 13.862 1.690 468 2HG2 ILE 62 2HG2 ILE 62 6.111 14.245 0.032 469 3HG2 ILE 62 3HG2 ILE 62 5.842 15.420 1.320 470 1HD1 ILE 62 1HD1 ILE 62 9.463 13.534 2.233 471 2HD1 ILE 62 2HD1 ILE 62 9.772 12.347 0.965 472 3HD1 ILE 62 3HD1 ILE 62 8.129 12.602 1.554 473 H LYS 63 H LYS 63 9.333 15.998 -2.331 474 HA LYS 63 HA LYS 63 11.708 17.191 -1.241 475 1HB LYS 63 2HB LYS 63 11.932 15.320 -2.741 476 2HB LYS 63 1HB LYS 63 10.995 16.136 -3.980 477 1HG LYS 63 2HG LYS 63 12.795 17.783 -4.241 478 2HG LYS 63 1HG LYS 63 13.736 16.930 -3.013 479 1HD LYS 63 2HD LYS 63 13.791 14.938 -4.395 480 2HD LYS 63 1HD LYS 63 12.756 15.713 -5.594 481 1HE LYS 63 2HE LYS 63 15.491 16.699 -4.807 482 2HE LYS 63 1HE LYS 63 15.164 15.682 -6.209 483 1HZ LYS 63 1HZ LYS 63 14.160 18.439 -5.731 484 2HZ LYS 63 2HZ LYS 63 13.660 17.452 -7.021 485 3HZ LYS 63 3HZ LYS 63 15.279 17.946 -6.909 486 H VAL 64 H VAL 64 9.291 18.044 -3.658 487 HA VAL 64 HA VAL 64 10.589 20.460 -4.458 488 HB VAL 64 HB VAL 64 7.748 19.527 -4.909 489 1HG1 VAL 64 1HG1 VAL 64 7.938 21.952 -5.157 490 2HG1 VAL 64 2HG1 VAL 64 7.680 21.170 -6.717 491 3HG1 VAL 64 3HG1 VAL 64 9.290 21.735 -6.271 492 1HG2 VAL 64 1HG2 VAL 64 9.392 18.025 -5.879 493 2HG2 VAL 64 2HG2 VAL 64 10.192 19.383 -6.670 494 3HG2 VAL 64 3HG2 VAL 64 8.558 18.924 -7.145 495 H ARG 65 H ARG 65 7.748 19.773 -2.397 496 HA ARG 65 HA ARG 65 7.716 22.610 -1.645 497 1HB ARG 65 2HB ARG 65 5.655 20.451 -1.176 498 2HB ARG 65 1HB ARG 65 5.492 22.125 -0.659 499 1HG ARG 65 2HG ARG 65 5.669 22.806 -3.051 500 2HG ARG 65 1HG ARG 65 5.641 21.098 -3.487 501 1HD ARG 65 2HD ARG 65 3.443 20.868 -2.429 502 2HD ARG 65 1HD ARG 65 3.469 22.581 -2.004 503 HE ARG 65 HE ARG 65 3.715 21.837 -4.825 504 1HH1 ARG 65 1HH1 ARG 65 1.722 23.148 -2.249 505 2HH1 ARG 65 2HH1 ARG 65 0.641 23.949 -3.345 506 1HH2 ARG 65 1HH2 ARG 65 2.274 22.850 -6.250 507 2HH2 ARG 65 2HH2 ARG 65 0.947 23.789 -5.617 508 H ARG 66 H ARG 66 6.801 19.744 0.228 509 HA ARG 66 HA ARG 66 8.894 19.848 2.114 510 1HB ARG 66 2HB ARG 66 7.319 22.001 2.511 511 2HB ARG 66 1HB ARG 66 6.371 20.814 3.394 512 1HG ARG 66 2HG ARG 66 8.570 20.254 4.594 513 2HG ARG 66 1HG ARG 66 9.150 21.784 3.940 514 1HD ARG 66 2HD ARG 66 6.769 21.369 5.740 515 2HD ARG 66 1HD ARG 66 8.305 22.111 6.180 516 HE ARG 66 HE ARG 66 6.465 23.297 4.194 517 1HH1 ARG 66 1HH1 ARG 66 8.595 23.576 6.975 518 2HH1 ARG 66 2HH1 ARG 66 8.364 25.291 7.130 519 1HH2 ARG 66 1HH2 ARG 66 6.184 25.563 4.396 520 2HH2 ARG 66 2HH2 ARG 66 7.008 26.420 5.668 521 HA PRO 67 HA PRO 67 6.681 16.026 3.040 522 1HB PRO 67 2HB PRO 67 7.685 16.095 5.797 523 2HB PRO 67 1HB PRO 67 8.016 14.929 4.515 524 1HG PRO 67 2HG PRO 67 9.880 16.669 5.378 525 2HG PRO 67 1HG PRO 67 9.794 16.134 3.690 526 1HD PRO 67 2HD PRO 67 8.841 18.700 4.915 527 2HD PRO 67 1HD PRO 67 9.679 18.431 3.372 528 H LYS 68 H LYS 68 4.519 16.469 3.128 529 HA LYS 68 HA LYS 68 3.406 17.782 5.485 530 1HB LYS 68 2HB LYS 68 2.218 16.901 2.862 531 2HB LYS 68 1HB LYS 68 1.192 17.316 4.223 532 1HG LYS 68 2HG LYS 68 1.290 19.235 2.885 533 2HG LYS 68 1HG LYS 68 2.354 19.560 4.251 534 1HD LYS 68 2HD LYS 68 3.279 20.281 2.064 535 2HD LYS 68 1HD LYS 68 4.299 19.116 2.912 536 1HE LYS 68 2HE LYS 68 4.092 18.649 0.488 537 2HE LYS 68 1HE LYS 68 3.518 17.327 1.501 538 1HZ LYS 68 1HZ LYS 68 1.856 19.311 0.037 539 2HZ LYS 68 2HZ LYS 68 1.247 18.198 1.157 540 3HZ LYS 68 3HZ LYS 68 1.981 17.638 -0.259 541 H TYR 69 H TYR 69 2.686 16.695 7.160 542 HA TYR 69 HA TYR 69 1.910 15.046 8.515 543 1HB TYR 69 2HB TYR 69 1.026 13.721 5.945 544 2HB TYR 69 1HB TYR 69 0.568 13.202 7.559 545 HD1 TYR 69 1HD TYR 69 -0.943 14.614 8.926 546 HD2 TYR 69 2HD TYR 69 -0.061 15.542 4.873 547 HE1 TYR 69 1HE TYR 69 -2.924 16.066 8.832 548 HE2 TYR 69 2HE TYR 69 -2.032 17.007 4.770 549 HH TYR 69 HH TYR 69 -4.207 17.221 5.916 550 H VAL 70 H VAL 70 2.993 13.218 5.668 551 HA VAL 70 HA VAL 70 4.125 11.176 7.334 552 HB VAL 70 HB VAL 70 2.983 10.708 5.173 553 1HG1 VAL 70 1HG1 VAL 70 4.171 11.054 3.073 554 2HG1 VAL 70 2HG1 VAL 70 5.472 11.872 3.938 555 3HG1 VAL 70 3HG1 VAL 70 3.861 12.589 3.888 556 1HG2 VAL 70 1HG2 VAL 70 4.563 9.007 4.396 557 2HG2 VAL 70 2HG2 VAL 70 4.451 9.041 6.157 558 3HG2 VAL 70 3HG2 VAL 70 5.840 9.765 5.346 559 H HIS 71 H HIS 71 6.232 10.596 7.554 560 HA HIS 71 HA HIS 71 8.279 12.581 6.875 561 1HB HIS 71 2HB HIS 71 7.997 11.643 9.224 562 2HB HIS 71 1HB HIS 71 8.512 10.089 8.587 563 HD1 HIS 71 1HD HIS 71 9.806 13.487 9.517 564 HD2 HIS 71 2HD HIS 71 11.257 9.839 8.134 565 HE1 HIS 71 1HE HIS 71 12.298 13.580 9.832 566 HE2 HIS 71 2HE HIS 71 13.133 11.298 9.152 567 H LYS 72 H LYS 72 10.156 11.912 5.610 568 HA LYS 72 HA LYS 72 9.425 10.305 3.434 569 1HB LYS 72 2HB LYS 72 11.696 10.523 2.623 570 2HB LYS 72 1HB LYS 72 11.139 12.058 3.271 571 1HG LYS 72 2HG LYS 72 12.427 11.723 5.279 572 2HG LYS 72 1HG LYS 72 12.907 10.115 4.736 573 1HD LYS 72 2HD LYS 72 13.520 12.568 3.113 574 2HD LYS 72 1HD LYS 72 14.571 12.057 4.432 575 1HE LYS 72 2HE LYS 72 15.478 11.146 2.432 576 2HE LYS 72 1HE LYS 72 14.732 9.814 3.309 577 1HZ LYS 72 1HZ LYS 72 12.806 10.003 1.850 578 2HZ LYS 72 2HZ LYS 72 14.215 9.698 0.966 579 3HZ LYS 72 3HZ LYS 72 13.551 11.260 0.993 580 H GLU 73 H GLU 73 11.209 9.466 6.336 581 HA GLU 73 HA GLU 73 12.106 6.925 5.484 582 1HB GLU 73 2HB GLU 73 11.551 7.975 8.263 583 2HB GLU 73 1HB GLU 73 12.381 6.464 7.914 584 1HG GLU 73 2HG GLU 73 14.167 7.665 6.813 585 2HG GLU 73 1HG GLU 73 13.323 9.193 7.067 586 H GLN 74 H GLN 74 9.079 8.079 6.763 587 HA GLN 74 HA GLN 74 7.981 5.571 7.489 588 1HB GLN 74 2HB GLN 74 7.151 7.949 8.095 589 2HB GLN 74 1HB GLN 74 6.372 7.928 6.523 590 1HG GLN 74 2HG GLN 74 5.070 5.990 7.155 591 2HG GLN 74 1HG GLN 74 5.889 5.927 8.714 592 1HE2 GLN 74 1HE2 GLN 74 5.415 7.476 10.269 593 2HE2 GLN 74 2HE2 GLN 74 4.001 8.465 10.178 594 H ILE 75 H ILE 75 7.993 7.498 4.547 595 HA ILE 75 HA ILE 75 6.331 5.860 2.972 596 HB ILE 75 HB ILE 75 8.651 7.577 2.058 597 1HG1 ILE 75 2HG1 ILE 75 5.710 8.268 2.301 598 2HG1 ILE 75 1HG1 ILE 75 6.976 8.811 3.401 599 1HG2 ILE 75 1HG2 ILE 75 6.266 6.530 0.538 600 2HG2 ILE 75 2HG2 ILE 75 7.938 6.005 0.348 601 3HG2 ILE 75 3HG2 ILE 75 7.475 7.648 -0.094 602 1HD1 ILE 75 1HD1 ILE 75 8.046 10.012 1.562 603 2HD1 ILE 75 2HD1 ILE 75 6.388 10.550 1.823 604 3HD1 ILE 75 3HD1 ILE 75 6.764 9.479 0.474 605 H GLU 76 H GLU 76 9.822 5.893 3.505 606 HA GLU 76 HA GLU 76 10.581 3.824 1.793 607 1HB GLU 76 2HB GLU 76 11.742 4.537 4.494 608 2HB GLU 76 1HB GLU 76 12.545 3.587 3.253 609 1HG GLU 76 2HG GLU 76 11.676 6.442 2.884 610 2HG GLU 76 1HG GLU 76 13.290 5.953 3.399 611 H ALA 77 H ALA 77 9.462 3.744 5.142 612 HA ALA 77 HA ALA 77 9.775 0.963 5.540 613 1HB ALA 77 1HB ALA 77 8.362 1.288 7.513 614 2HB ALA 77 2HB ALA 77 7.945 2.906 6.948 615 3HB ALA 77 3HB ALA 77 9.608 2.530 7.397 616 H VAL 78 H VAL 78 6.907 2.933 4.767 617 HA VAL 78 HA VAL 78 5.046 0.849 4.669 618 HB VAL 78 HB VAL 78 5.077 3.498 3.213 619 1HG1 VAL 78 1HG1 VAL 78 2.800 1.534 3.481 620 2HG1 VAL 78 2HG1 VAL 78 3.655 1.927 1.990 621 3HG1 VAL 78 3HG1 VAL 78 2.687 3.159 2.801 622 1HG2 VAL 78 1HG2 VAL 78 4.991 3.635 5.645 623 2HG2 VAL 78 2HG2 VAL 78 3.607 2.540 5.667 624 3HG2 VAL 78 3HG2 VAL 78 3.456 4.137 4.934 625 H LYS 79 H LYS 79 7.196 2.107 2.176 626 HA LYS 79 HA LYS 79 6.199 0.744 -0.043 627 1HB LYS 79 2HB LYS 79 7.943 2.508 -0.106 628 2HB LYS 79 1HB LYS 79 9.091 1.376 0.593 629 1HG LYS 79 2HG LYS 79 8.819 -0.069 -1.389 630 2HG LYS 79 1HG LYS 79 7.754 1.150 -2.096 631 1HD LYS 79 2HD LYS 79 9.584 2.789 -1.969 632 2HD LYS 79 1HD LYS 79 10.643 1.537 -1.318 633 1HE LYS 79 2HE LYS 79 10.284 0.224 -3.385 634 2HE LYS 79 1HE LYS 79 9.336 1.562 -4.034 635 1HZ LYS 79 1HZ LYS 79 12.207 1.650 -3.264 636 2HZ LYS 79 2HZ LYS 79 11.309 2.985 -3.805 637 3HZ LYS 79 3HZ LYS 79 11.588 1.678 -4.846 638 H ASP 80 H ASP 80 8.547 -0.299 2.398 639 HA ASP 80 HA ASP 80 8.927 -2.878 1.186 640 1HB ASP 80 2HB ASP 80 10.745 -1.938 2.466 641 2HB ASP 80 1HB ASP 80 9.719 -1.777 3.887 642 H ASN 81 H ASN 81 7.171 -1.618 3.984 643 HA ASN 81 HA ASN 81 6.251 -4.015 5.052 644 1HB ASN 81 2HB ASN 81 5.005 -1.265 5.070 645 2HB ASN 81 1HB ASN 81 4.337 -2.622 5.965 646 1HD2 ASN 81 1HD2 ASN 81 5.303 -0.148 7.013 647 2HD2 ASN 81 2HD2 ASN 81 6.599 -0.528 8.092 648 H PHE 82 H PHE 82 4.911 -2.036 2.458 649 HA PHE 82 HA PHE 82 2.444 -3.335 2.200 650 1HB PHE 82 2HB PHE 82 3.045 -1.167 1.128 651 2HB PHE 82 1HB PHE 82 4.077 -2.043 0.005 652 HD1 PHE 82 1HD PHE 82 0.565 -2.257 1.259 653 HD2 PHE 82 2HD PHE 82 3.205 -2.392 -2.078 654 HE1 PHE 82 1HE PHE 82 -1.356 -2.576 -0.244 655 HE2 PHE 82 2HE PHE 82 1.289 -2.713 -3.585 656 HZ PHE 82 HZ PHE 82 -0.993 -2.807 -2.669 657 H LEU 83 H LEU 83 5.554 -3.969 0.615 658 HA LEU 83 HA LEU 83 4.609 -6.099 -1.000 659 1HB LEU 83 2HB LEU 83 7.383 -5.376 -0.060 660 2HB LEU 83 1HB LEU 83 7.052 -6.661 -1.204 661 HG LEU 83 HG LEU 83 6.397 -3.744 -1.643 662 1HD1 LEU 83 1HD1 LEU 83 8.799 -4.125 -1.650 663 2HD1 LEU 83 2HD1 LEU 83 8.215 -3.810 -3.286 664 3HD1 LEU 83 3HD1 LEU 83 8.599 -5.458 -2.787 665 1HD2 LEU 83 1HD2 LEU 83 4.858 -5.228 -2.804 666 2HD2 LEU 83 2HD2 LEU 83 6.214 -6.126 -3.484 667 3HD2 LEU 83 3HD2 LEU 83 5.948 -4.446 -3.952 668 H GLU 84 H GLU 84 6.220 -5.986 2.149 669 HA GLU 84 HA GLU 84 6.424 -8.755 2.581 670 1HB GLU 84 2HB GLU 84 6.084 -6.502 4.573 671 2HB GLU 84 1HB GLU 84 6.530 -8.148 4.996 672 1HG GLU 84 2HG GLU 84 8.154 -6.501 3.088 673 2HG GLU 84 1HG GLU 84 8.389 -6.427 4.833 674 H LEU 85 H LEU 85 3.864 -6.444 3.331 675 HA LEU 85 HA LEU 85 2.158 -8.047 4.823 676 1HB LEU 85 2HB LEU 85 2.008 -5.557 4.356 677 2HB LEU 85 1HB LEU 85 1.302 -5.964 2.808 678 HG LEU 85 HG LEU 85 0.047 -6.846 5.405 679 1HD1 LEU 85 1HD1 LEU 85 0.284 -4.414 5.461 680 2HD1 LEU 85 2HD1 LEU 85 -1.401 -4.886 5.238 681 3HD1 LEU 85 3HD1 LEU 85 -0.464 -4.301 3.864 682 1HD2 LEU 85 1HD2 LEU 85 -0.731 -7.977 3.381 683 2HD2 LEU 85 2HD2 LEU 85 -1.060 -6.417 2.627 684 3HD2 LEU 85 3HD2 LEU 85 -1.987 -6.929 4.038 685 H VAL 86 H VAL 86 2.121 -7.483 1.304 686 HA VAL 86 HA VAL 86 -0.010 -9.221 0.735 687 HB VAL 86 HB VAL 86 2.281 -8.420 -1.073 688 1HG1 VAL 86 1HG1 VAL 86 -0.460 -9.468 -1.777 689 2HG1 VAL 86 2HG1 VAL 86 1.050 -10.369 -1.910 690 3HG1 VAL 86 3HG1 VAL 86 0.781 -8.945 -2.918 691 1HG2 VAL 86 1HG2 VAL 86 -0.437 -7.175 -0.670 692 2HG2 VAL 86 2HG2 VAL 86 0.739 -6.688 -1.890 693 3HG2 VAL 86 3HG2 VAL 86 1.110 -6.487 -0.177 694 H LEU 87 H LEU 87 3.494 -9.746 0.631 695 HA LEU 87 HA LEU 87 3.429 -12.365 -0.359 696 1HB LEU 87 2HB LEU 87 5.434 -10.936 -0.316 697 2HB LEU 87 1HB LEU 87 5.483 -11.070 1.431 698 HG LEU 87 HG LEU 87 5.839 -13.522 1.193 699 1HD1 LEU 87 1HD1 LEU 87 4.834 -13.829 -1.000 700 2HD1 LEU 87 2HD1 LEU 87 6.502 -14.403 -0.985 701 3HD1 LEU 87 3HD1 LEU 87 6.107 -12.854 -1.734 702 1HD2 LEU 87 1HD2 LEU 87 7.720 -12.037 1.544 703 2HD2 LEU 87 2HD2 LEU 87 7.835 -11.737 -0.189 704 3HD2 LEU 87 3HD2 LEU 87 8.171 -13.345 0.450 705 H GLN 88 H GLN 88 3.547 -11.172 2.990 706 HA GLN 88 HA GLN 88 3.765 -13.800 4.100 707 1HB GLN 88 2HB GLN 88 3.107 -11.160 5.413 708 2HB GLN 88 1HB GLN 88 3.411 -12.660 6.281 709 1HG GLN 88 2HG GLN 88 5.356 -11.146 4.548 710 2HG GLN 88 1HG GLN 88 5.388 -11.296 6.305 711 1HE2 GLN 88 1HE2 GLN 88 5.992 -12.886 3.281 712 2HE2 GLN 88 2HE2 GLN 88 6.861 -14.228 3.929 713 H SER 89 H SER 89 1.133 -11.870 3.057 714 HA SER 89 HA SER 89 -0.879 -12.960 4.738 715 1HB SER 89 2HB SER 89 -1.115 -10.834 3.433 716 2HB SER 89 1HB SER 89 -1.215 -11.796 1.960 717 HG SER 89 HG SER 89 -3.187 -11.125 3.508 718 H TYR 90 H TYR 90 0.142 -13.721 1.411 719 HA TYR 90 HA TYR 90 -1.693 -15.834 1.046 720 1HB TYR 90 2HB TYR 90 0.893 -15.142 -0.344 721 2HB TYR 90 1HB TYR 90 -0.108 -16.506 -0.829 722 HD1 TYR 90 1HD TYR 90 0.489 -13.027 -1.236 723 HD2 TYR 90 2HD TYR 90 -2.568 -15.978 -1.423 724 HE1 TYR 90 1HE TYR 90 -0.857 -11.534 -2.655 725 HE2 TYR 90 2HE TYR 90 -3.925 -14.495 -2.837 726 HH TYR 90 HH TYR 90 -2.671 -11.666 -4.277 727 H VAL 91 H VAL 91 1.628 -15.760 2.250 728 HA VAL 91 HA VAL 91 1.755 -18.646 2.360 729 HB VAL 91 HB VAL 91 3.977 -18.383 3.292 730 1HG1 VAL 91 1HG1 VAL 91 5.025 -17.202 1.423 731 2HG1 VAL 91 2HG1 VAL 91 3.470 -16.477 1.011 732 3HG1 VAL 91 3HG1 VAL 91 3.694 -18.220 0.877 733 1HG2 VAL 91 1HG2 VAL 91 3.358 -15.433 3.364 734 2HG2 VAL 91 2HG2 VAL 91 4.945 -16.148 3.652 735 3HG2 VAL 91 3HG2 VAL 91 3.611 -16.490 4.754 736 H HIS 92 H HIS 92 0.457 -16.261 4.308 737 HA HIS 92 HA HIS 92 -0.576 -16.313 6.324 738 1HB HIS 92 2HB HIS 92 -0.141 -19.296 6.049 739 2HB HIS 92 1HB HIS 92 -1.156 -18.544 7.274 740 HD1 HIS 92 1HD HIS 92 -1.505 -20.212 4.211 741 HD2 HIS 92 2HD HIS 92 -3.122 -16.712 5.741 742 HE1 HIS 92 1HE HIS 92 -3.622 -19.832 2.919 743 HE2 HIS 92 2HE HIS 92 -4.704 -17.843 4.039 744 H HIS 93 H HIS 93 2.254 -15.876 6.224 745 HA HIS 93 HA HIS 93 3.343 -17.310 8.520 746 1HB HIS 93 2HB HIS 93 4.690 -16.906 6.437 747 2HB HIS 93 1HB HIS 93 4.668 -15.191 6.821 748 HD1 HIS 93 1HD HIS 93 6.190 -18.439 7.888 749 HD2 HIS 93 2HD HIS 93 6.420 -14.397 8.852 750 HE1 HIS 93 1HE HIS 93 8.208 -18.207 9.375 751 HE2 HIS 93 2HE HIS 93 8.426 -15.731 9.802 752 H ILE 94 H ILE 94 1.677 -14.450 7.881 753 HA ILE 94 HA ILE 94 2.846 -12.992 10.126 754 HB ILE 94 HB ILE 94 2.455 -11.781 8.013 755 1HG1 ILE 94 2HG1 ILE 94 1.189 -9.848 8.977 756 2HG1 ILE 94 1HG1 ILE 94 0.759 -10.867 10.349 757 1HG2 ILE 94 1HG2 ILE 94 -0.444 -12.397 8.537 758 2HG2 ILE 94 2HG2 ILE 94 0.532 -12.929 7.167 759 3HG2 ILE 94 3HG2 ILE 94 0.131 -11.222 7.357 760 1HD1 ILE 94 1HD1 ILE 94 3.549 -10.090 9.532 761 2HD1 ILE 94 2HD1 ILE 94 3.118 -11.105 10.909 762 3HD1 ILE 94 3HD1 ILE 94 2.629 -9.411 10.875 763 H HIS 95 H HIS 95 1.684 -12.431 11.968 764 HA HIS 95 HA HIS 95 -0.780 -13.955 12.414 765 1HB HIS 95 2HB HIS 95 1.071 -12.530 14.341 766 2HB HIS 95 1HB HIS 95 -0.440 -13.299 14.822 767 HD1 HIS 95 1HD HIS 95 -0.382 -15.776 15.257 768 HD2 HIS 95 2HD HIS 95 3.055 -14.388 13.361 769 HE1 HIS 95 1HE HIS 95 1.218 -17.716 15.244 770 HE2 HIS 95 2HE HIS 95 3.178 -16.921 13.873 771 H LYS 96 H LYS 96 -2.645 -12.907 13.361 772 HA LYS 96 HA LYS 96 -3.267 -10.649 11.797 773 1HB LYS 96 2HB LYS 96 -5.457 -10.676 13.056 774 2HB LYS 96 1HB LYS 96 -5.033 -12.133 12.174 775 1HG LYS 96 2HG LYS 96 -4.253 -13.129 14.310 776 2HG LYS 96 1HG LYS 96 -4.861 -11.696 15.145 777 1HD LYS 96 2HD LYS 96 -7.103 -12.147 14.389 778 2HD LYS 96 1HD LYS 96 -6.539 -13.477 13.381 779 1HE LYS 96 2HE LYS 96 -7.541 -14.373 15.370 780 2HE LYS 96 1HE LYS 96 -5.804 -14.658 15.426 781 1HZ LYS 96 1HZ LYS 96 -5.534 -12.903 16.982 782 2HZ LYS 96 2HZ LYS 96 -6.805 -13.874 17.545 783 3HZ LYS 96 3HZ LYS 96 -7.140 -12.390 16.798 784 H LYS 97 H LYS 97 -2.085 -10.871 15.058 785 HA LYS 97 HA LYS 97 -2.819 -8.333 16.012 786 1HB LYS 97 2HB LYS 97 -0.318 -9.958 16.487 787 2HB LYS 97 1HB LYS 97 -0.658 -8.457 17.329 788 1HG LYS 97 2HG LYS 97 -2.672 -9.452 18.292 789 2HG LYS 97 1HG LYS 97 -2.326 -10.961 17.439 790 1HD LYS 97 2HD LYS 97 -0.208 -11.156 18.642 791 2HD LYS 97 1HD LYS 97 -0.541 -9.643 19.486 792 1HE LYS 97 2HE LYS 97 -2.199 -12.157 19.661 793 2HE LYS 97 1HE LYS 97 -1.034 -11.612 20.866 794 1HZ LYS 97 1HZ LYS 97 -3.169 -10.963 21.601 795 2HZ LYS 97 2HZ LYS 97 -3.582 -10.301 20.098 796 3HZ LYS 97 3HZ LYS 97 -2.404 -9.548 21.059 797 H ARG 98 H ARG 98 0.171 -9.304 14.358 798 HA ARG 98 HA ARG 98 1.020 -6.571 14.073 799 1HB ARG 98 2HB ARG 98 2.582 -8.472 14.477 800 2HB ARG 98 1HB ARG 98 2.204 -9.077 12.872 801 1HG ARG 98 2HG ARG 98 3.138 -7.062 11.874 802 2HG ARG 98 1HG ARG 98 3.486 -6.420 13.482 803 1HD ARG 98 2HD ARG 98 4.947 -8.336 13.917 804 2HD ARG 98 1HD ARG 98 4.615 -8.950 12.299 805 HE ARG 98 HE ARG 98 5.589 -6.362 11.997 806 1HH1 ARG 98 1HH1 ARG 98 6.688 -9.407 13.286 807 2HH1 ARG 98 2HH1 ARG 98 8.353 -9.141 12.881 808 1HH2 ARG 98 1HH2 ARG 98 7.778 -5.978 11.452 809 2HH2 ARG 98 2HH2 ARG 98 8.979 -7.188 11.820 810 H PHE 99 H PHE 99 -0.631 -8.944 12.169 811 HA PHE 99 HA PHE 99 -0.223 -7.954 9.596 812 1HB PHE 99 2HB PHE 99 -1.314 -10.101 10.066 813 2HB PHE 99 1HB PHE 99 -2.702 -9.258 10.745 814 HD1 PHE 99 1HD PHE 99 -0.700 -9.315 7.591 815 HD2 PHE 99 2HD PHE 99 -4.534 -9.003 9.409 816 HE1 PHE 99 1HE PHE 99 -1.747 -9.252 5.363 817 HE2 PHE 99 2HE PHE 99 -5.586 -8.944 7.189 818 HZ PHE 99 HZ PHE 99 -4.195 -9.065 5.163 819 H LYS 100 H LYS 100 -2.777 -7.124 11.948 820 HA LYS 100 HA LYS 100 -3.945 -5.136 10.293 821 1HB LYS 100 2HB LYS 100 -4.096 -5.518 13.288 822 2HB LYS 100 1HB LYS 100 -5.094 -4.408 12.368 823 1HG LYS 100 2HG LYS 100 -5.096 -7.409 12.247 824 2HG LYS 100 1HG LYS 100 -6.385 -6.349 12.816 825 1HD LYS 100 2HD LYS 100 -6.535 -5.420 10.499 826 2HD LYS 100 1HD LYS 100 -5.387 -6.658 9.986 827 1HE LYS 100 2HE LYS 100 -7.442 -7.616 9.484 828 2HE LYS 100 1HE LYS 100 -7.052 -8.319 11.053 829 1HZ LYS 100 1HZ LYS 100 -9.218 -7.663 11.355 830 2HZ LYS 100 2HZ LYS 100 -9.067 -6.290 10.370 831 3HZ LYS 100 3HZ LYS 100 -8.403 -6.289 11.930 832 H ASP 101 H ASP 101 -1.471 -5.121 12.785 833 HA ASP 101 HA ASP 101 -1.167 -2.370 13.167 834 1HB ASP 101 2HB ASP 101 -0.084 -4.219 14.507 835 2HB ASP 101 1HB ASP 101 1.061 -4.420 13.188 836 H ILE 102 H ILE 102 0.561 -4.521 10.915 837 HA ILE 102 HA ILE 102 2.063 -2.516 9.639 838 HB ILE 102 HB ILE 102 1.119 -5.176 8.544 839 1HG1 ILE 102 2HG1 ILE 102 3.772 -4.364 9.758 840 2HG1 ILE 102 1HG1 ILE 102 2.529 -5.299 10.580 841 1HG2 ILE 102 1HG2 ILE 102 2.893 -4.957 6.886 842 2HG2 ILE 102 2HG2 ILE 102 3.295 -3.359 7.512 843 3HG2 ILE 102 3HG2 ILE 102 1.733 -3.635 6.743 844 1HD1 ILE 102 1HD1 ILE 102 4.015 -6.157 8.108 845 2HD1 ILE 102 2HD1 ILE 102 2.796 -7.097 8.971 846 3HD1 ILE 102 3HD1 ILE 102 4.331 -6.711 9.753 847 H THR 103 H THR 103 -1.035 -4.012 8.725 848 HA THR 103 HA THR 103 -1.485 -2.634 6.348 849 HB THR 103 HB THR 103 -3.604 -3.509 8.326 850 HG1 THR 103 1HG THR 103 -2.351 -5.299 7.860 851 1HG2 THR 103 1HG2 THR 103 -5.025 -3.737 6.347 852 2HG2 THR 103 2HG2 THR 103 -3.708 -3.156 5.329 853 3HG2 THR 103 3HG2 THR 103 -4.444 -2.078 6.515 854 H GLU 104 H GLU 104 -2.472 -1.789 9.651 855 HA GLU 104 HA GLU 104 -3.839 0.579 9.056 856 1HB GLU 104 2HB GLU 104 -3.929 -0.722 11.178 857 2HB GLU 104 1HB GLU 104 -2.316 -0.155 11.560 858 1HG GLU 104 2HG GLU 104 -3.106 2.120 11.638 859 2HG GLU 104 1HG GLU 104 -4.731 1.595 11.196 860 H SER 105 H SER 105 -0.490 0.011 10.075 861 HA SER 105 HA SER 105 0.403 2.647 10.076 862 1HB SER 105 2HB SER 105 1.952 0.160 9.304 863 2HB SER 105 1HB SER 105 2.663 1.709 9.757 864 HG SER 105 HG SER 105 1.234 -0.134 11.357 865 H VAL 106 H VAL 106 0.202 0.345 7.387 866 HA VAL 106 HA VAL 106 1.345 2.034 5.427 867 HB VAL 106 HB VAL 106 -0.587 -0.274 5.122 868 1HG1 VAL 106 1HG1 VAL 106 0.100 -0.329 2.764 869 2HG1 VAL 106 2HG1 VAL 106 1.026 1.154 3.008 870 3HG1 VAL 106 3HG1 VAL 106 -0.732 1.174 3.170 871 1HG2 VAL 106 1HG2 VAL 106 1.420 -1.522 4.449 872 2HG2 VAL 106 2HG2 VAL 106 1.550 -0.903 6.096 873 3HG2 VAL 106 3HG2 VAL 106 2.404 -0.096 4.780 874 H LEU 107 H LEU 107 -2.045 1.336 6.258 875 HA LEU 107 HA LEU 107 -3.227 3.009 4.353 876 1HB LEU 107 2HB LEU 107 -4.232 2.152 7.061 877 2HB LEU 107 1HB LEU 107 -5.214 2.973 5.868 878 HG LEU 107 HG LEU 107 -3.917 0.280 5.436 879 1HD1 LEU 107 1HD1 LEU 107 -6.179 -0.621 5.690 880 2HD1 LEU 107 2HD1 LEU 107 -6.765 0.984 6.132 881 3HD1 LEU 107 3HD1 LEU 107 -5.611 0.148 7.172 882 1HD2 LEU 107 1HD2 LEU 107 -4.289 1.533 3.378 883 2HD2 LEU 107 2HD2 LEU 107 -5.972 1.799 3.831 884 3HD2 LEU 107 3HD2 LEU 107 -5.398 0.167 3.494 885 H TYR 108 H TYR 108 -2.196 3.687 7.680 886 HA TYR 108 HA TYR 108 -3.172 6.272 7.937 887 1HB TYR 108 2HB TYR 108 -2.117 5.123 9.802 888 2HB TYR 108 1HB TYR 108 -0.563 5.140 8.975 889 HD1 TYR 108 1HD TYR 108 -3.189 7.483 10.221 890 HD2 TYR 108 2HD TYR 108 0.948 6.838 9.464 891 HE1 TYR 108 1HE TYR 108 -2.668 9.647 11.263 892 HE2 TYR 108 2HE TYR 108 1.481 9.001 10.507 893 HH TYR 108 HH TYR 108 -0.813 10.775 12.327 894 H THR 109 H THR 109 -0.012 5.273 6.645 895 HA THR 109 HA THR 109 0.864 7.841 5.911 896 HB THR 109 HB THR 109 1.597 5.157 4.721 897 HG1 THR 109 1HG THR 109 2.758 6.722 6.816 898 1HG2 THR 109 1HG2 THR 109 3.671 6.253 4.001 899 2HG2 THR 109 2HG2 THR 109 3.066 7.799 4.600 900 3HG2 THR 109 3HG2 THR 109 2.261 7.001 3.249 901 H LEU 110 H LEU 110 -0.962 5.376 4.149 902 HA LEU 110 HA LEU 110 -1.063 6.656 1.657 903 1HB LEU 110 2HB LEU 110 -3.067 4.830 2.982 904 2HB LEU 110 1HB LEU 110 -3.139 5.313 1.297 905 HG LEU 110 HG LEU 110 -0.874 3.760 2.549 906 1HD1 LEU 110 1HD1 LEU 110 -2.938 2.457 2.466 907 2HD1 LEU 110 2HD1 LEU 110 -1.750 1.856 1.308 908 3HD1 LEU 110 3HD1 LEU 110 -3.110 2.834 0.752 909 1HD2 LEU 110 1HD2 LEU 110 -0.197 5.144 0.648 910 2HD2 LEU 110 2HD2 LEU 110 -1.478 4.424 -0.331 911 3HD2 LEU 110 3HD2 LEU 110 -0.143 3.426 0.250 912 H HIS 111 H HIS 111 -3.128 6.945 4.506 913 HA HIS 111 HA HIS 111 -5.026 8.698 3.310 914 1HB HIS 111 2HB HIS 111 -4.342 8.286 6.233 915 2HB HIS 111 1HB HIS 111 -5.733 9.186 5.645 916 HD1 HIS 111 1HD HIS 111 -6.109 6.782 7.495 917 HD2 HIS 111 2HD HIS 111 -6.155 6.519 3.343 918 HE1 HIS 111 1HE HIS 111 -7.435 4.709 6.956 919 HE2 HIS 111 2HE HIS 111 -7.544 4.625 4.441 920 H ALA 112 H ALA 112 -1.992 9.146 4.984 921 HA ALA 112 HA ALA 112 -2.185 11.925 5.458 922 1HB ALA 112 1HB ALA 112 0.222 11.849 5.797 923 2HB ALA 112 2HB ALA 112 0.290 10.248 5.061 924 3HB ALA 112 3HB ALA 112 -0.558 10.478 6.589 925 H VAL 113 H VAL 113 -0.719 10.065 2.815 926 HA VAL 113 HA VAL 113 0.162 12.355 1.371 927 HB VAL 113 HB VAL 113 -0.289 9.528 0.385 928 1HG1 VAL 113 1HG1 VAL 113 1.219 10.119 -1.440 929 2HG1 VAL 113 2HG1 VAL 113 1.326 11.769 -0.827 930 3HG1 VAL 113 3HG1 VAL 113 -0.210 11.155 -1.442 931 1HG2 VAL 113 1HG2 VAL 113 1.311 9.640 2.231 932 2HG2 VAL 113 2HG2 VAL 113 2.227 10.873 1.364 933 3HG2 VAL 113 3HG2 VAL 113 2.113 9.239 0.713 934 H LYS 114 H LYS 114 -2.628 10.178 1.085 935 HA LYS 114 HA LYS 114 -3.844 11.326 -1.148 936 1HB LYS 114 2HB LYS 114 -4.583 9.220 -0.125 937 2HB LYS 114 1HB LYS 114 -5.138 10.090 1.290 938 1HG LYS 114 2HG LYS 114 -6.807 11.247 -0.065 939 2HG LYS 114 1HG LYS 114 -6.244 10.379 -1.495 940 1HD LYS 114 2HD LYS 114 -6.879 8.262 -0.487 941 2HD LYS 114 1HD LYS 114 -7.378 9.091 0.989 942 1HE LYS 114 2HE LYS 114 -9.300 8.538 -0.409 943 2HE LYS 114 1HE LYS 114 -9.102 10.284 -0.254 944 1HZ LYS 114 1HZ LYS 114 -8.224 10.420 -2.429 945 2HZ LYS 114 2HZ LYS 114 -9.614 9.460 -2.544 946 3HZ LYS 114 3HZ LYS 114 -8.078 8.733 -2.569 947 H ASP 115 H ASP 115 -3.899 12.245 2.232 948 HA ASP 115 HA ASP 115 -5.996 14.100 2.143 949 1HB ASP 115 2HB ASP 115 -4.872 13.155 4.211 950 2HB ASP 115 1HB ASP 115 -3.567 14.300 3.924 951 H GLU 116 H GLU 116 -2.469 14.659 1.875 952 HA GLU 116 HA GLU 116 -2.746 17.433 1.431 953 1HB GLU 116 2HB GLU 116 -0.395 17.400 0.748 954 2HB GLU 116 1HB GLU 116 -0.653 16.510 2.241 955 1HG GLU 116 2HG GLU 116 -0.320 14.444 1.202 956 2HG GLU 116 1HG GLU 116 -0.549 15.119 -0.411 957 H ILE 117 H ILE 117 -2.700 14.679 -0.746 958 HA ILE 117 HA ILE 117 -2.333 15.989 -3.181 959 HB ILE 117 HB ILE 117 -3.987 13.539 -2.544 960 1HG1 ILE 117 2HG1 ILE 117 -1.251 13.862 -3.796 961 2HG1 ILE 117 1HG1 ILE 117 -1.555 13.367 -2.135 962 1HG2 ILE 117 1HG2 ILE 117 -4.831 14.527 -4.592 963 2HG2 ILE 117 2HG2 ILE 117 -3.925 13.058 -4.958 964 3HG2 ILE 117 3HG2 ILE 117 -3.193 14.638 -5.239 965 1HD1 ILE 117 1HD1 ILE 117 -1.025 11.462 -3.546 966 2HD1 ILE 117 2HD1 ILE 117 -2.379 11.858 -4.603 967 3HD1 ILE 117 3HD1 ILE 117 -2.679 11.358 -2.940 968 H ALA 118 H ALA 118 -5.275 15.533 -1.253 969 HA ALA 118 HA ALA 118 -6.793 17.147 -3.166 970 1HB ALA 118 1HB ALA 118 -7.839 15.133 -2.257 971 2HB ALA 118 2HB ALA 118 -8.749 16.583 -1.831 972 3HB ALA 118 3HB ALA 118 -7.718 15.801 -0.630 973 H ARG 119 H ARG 119 -5.029 17.506 -0.304 974 HA ARG 119 HA ARG 119 -6.481 19.649 0.895 975 1HB ARG 119 2HB ARG 119 -4.545 17.942 1.741 976 2HB ARG 119 1HB ARG 119 -3.588 19.383 1.470 977 1HG ARG 119 2HG ARG 119 -4.279 19.302 3.766 978 2HG ARG 119 1HG ARG 119 -5.125 20.628 2.963 979 1HD ARG 119 2HD ARG 119 -7.150 19.486 2.929 980 2HD ARG 119 1HD ARG 119 -6.379 17.915 3.131 981 HE ARG 119 HE ARG 119 -6.017 19.634 5.395 982 1HH1 ARG 119 1HH1 ARG 119 -8.227 17.424 3.848 983 2HH1 ARG 119 2HH1 ARG 119 -8.977 16.915 5.325 984 1HH2 ARG 119 1HH2 ARG 119 -6.995 18.979 7.362 985 2HH2 ARG 119 2HH2 ARG 119 -8.303 17.830 7.329 986 H GLU 120 H GLU 120 -3.341 19.547 -0.825 987 HA GLU 120 HA GLU 120 -3.474 22.416 -1.244 988 1HB GLU 120 2HB GLU 120 -1.418 20.379 -2.053 989 2HB GLU 120 1HB GLU 120 -1.288 22.091 -2.412 990 1HG GLU 120 2HG GLU 120 -1.394 22.528 0.045 991 2HG GLU 120 1HG GLU 120 -1.297 20.785 0.294 992 H ASP 121 H ASP 121 -3.571 19.451 -3.102 993 HA ASP 121 HA ASP 121 -4.391 18.895 -5.122 994 1HB ASP 121 2HB ASP 121 -6.476 19.729 -4.184 995 2HB ASP 121 1HB ASP 121 -6.077 21.366 -4.697 996 H SER 122 H SER 122 -2.440 19.204 -6.222 997 HA SER 122 HA SER 122 -2.746 20.979 -8.444 998 1HB SER 122 2HB SER 122 -1.634 22.461 -6.761 999 2HB SER 122 1HB SER 122 -0.283 21.332 -6.717 1000 HG SER 122 HG SER 122 -1.063 22.232 -9.235 1001 H ARG 123 H ARG 123 -2.826 19.000 -9.544 1002 HA ARG 123 HA ARG 123 -0.159 17.905 -10.098 1003 1HB ARG 123 2HB ARG 123 -2.621 16.321 -9.393 1004 2HB ARG 123 1HB ARG 123 -1.338 15.622 -10.368 1005 1HG ARG 123 2HG ARG 123 -0.945 16.763 -7.611 1006 2HG ARG 123 1HG ARG 123 -1.215 15.057 -7.957 1007 1HD ARG 123 2HD ARG 123 1.120 15.304 -7.732 1008 2HD ARG 123 1HD ARG 123 0.820 15.178 -9.464 1009 HE ARG 123 HE ARG 123 0.902 17.892 -8.519 1010 1HH1 ARG 123 1HH1 ARG 123 2.868 15.201 -9.643 1011 2HH1 ARG 123 2HH1 ARG 123 4.202 16.212 -10.101 1012 1HH2 ARG 123 1HH2 ARG 123 2.655 19.205 -9.150 1013 2HH2 ARG 123 2HH2 ARG 123 4.073 18.484 -9.849 Start of MODEL 14 1 1H MET 1 1HT MET 1 -10.715 16.714 -14.583 2 2H MET 1 2HT MET 1 -11.854 16.124 -13.473 3 3H MET 1 3HT MET 1 -11.699 15.394 -14.994 4 HA MET 1 HA MET 1 -10.678 14.060 -13.279 5 1HB MET 1 2HB MET 1 -9.786 14.100 -15.615 6 2HB MET 1 1HB MET 1 -8.639 15.333 -15.119 7 1HG MET 1 2HG MET 1 -8.740 12.653 -13.779 8 2HG MET 1 1HG MET 1 -7.832 12.914 -15.263 9 1HE MET 1 1HE MET 1 -5.187 15.584 -14.130 10 2HE MET 1 2HE MET 1 -6.758 15.884 -14.873 11 3HE MET 1 3HE MET 1 -5.744 14.563 -15.456 12 H LEU 2 H LEU 2 -9.784 14.054 -11.341 13 HA LEU 2 HA LEU 2 -7.809 16.087 -10.653 14 1HB LEU 2 2HB LEU 2 -8.814 16.484 -8.446 15 2HB LEU 2 1HB LEU 2 -9.856 17.014 -9.748 16 HG LEU 2 HG LEU 2 -10.257 14.369 -8.352 17 1HD1 LEU 2 1HD1 LEU 2 -11.475 17.043 -7.670 18 2HD1 LEU 2 2HD1 LEU 2 -10.353 16.121 -6.669 19 3HD1 LEU 2 3HD1 LEU 2 -11.966 15.488 -6.998 20 1HD2 LEU 2 1HD2 LEU 2 -12.113 16.131 -9.953 21 2HD2 LEU 2 2HD2 LEU 2 -12.533 14.590 -9.206 22 3HD2 LEU 2 3HD2 LEU 2 -11.359 14.641 -10.522 23 H SER 3 H SER 3 -6.182 14.658 -10.650 24 HA SER 3 HA SER 3 -5.765 12.899 -8.505 25 1HB SER 3 2HB SER 3 -7.555 11.621 -9.790 26 2HB SER 3 1HB SER 3 -6.383 11.459 -11.096 27 HG SER 3 HG SER 3 -5.080 10.247 -9.786 28 H GLN 4 H GLN 4 -5.195 13.551 -11.905 29 HA GLN 4 HA GLN 4 -3.363 14.148 -13.063 30 1HB GLN 4 2HB GLN 4 -2.419 14.545 -10.286 31 2HB GLN 4 1HB GLN 4 -1.182 14.424 -11.525 32 1HG GLN 4 2HG GLN 4 -1.617 16.711 -11.276 33 2HG GLN 4 1HG GLN 4 -2.416 16.235 -12.769 34 1HE2 GLN 4 1HE2 GLN 4 -2.884 18.509 -10.995 35 2HE2 GLN 4 2HE2 GLN 4 -4.549 18.420 -10.539 36 H THR 5 H THR 5 -1.695 12.253 -10.542 37 HA THR 5 HA THR 5 -1.248 9.969 -12.123 38 HB THR 5 HB THR 5 -0.065 11.634 -13.552 39 HG1 THR 5 1HG THR 5 1.420 10.199 -14.049 40 1HG2 THR 5 1HG2 THR 5 0.733 13.158 -11.838 41 2HG2 THR 5 2HG2 THR 5 2.083 12.561 -12.803 42 3HG2 THR 5 3HG2 THR 5 1.797 11.906 -11.191 43 H LEU 6 H LEU 6 -1.812 10.546 -9.403 44 HA LEU 6 HA LEU 6 0.254 9.074 -8.088 45 1HB LEU 6 2HB LEU 6 1.282 11.319 -8.131 46 2HB LEU 6 1HB LEU 6 -0.104 11.957 -7.270 47 HG LEU 6 HG LEU 6 0.445 10.539 -5.332 48 1HD1 LEU 6 1HD1 LEU 6 2.888 9.780 -6.931 49 2HD1 LEU 6 2HD1 LEU 6 1.543 8.711 -6.530 50 3HD1 LEU 6 3HD1 LEU 6 2.573 9.351 -5.249 51 1HD2 LEU 6 1HD2 LEU 6 2.729 12.252 -6.300 52 2HD2 LEU 6 2HD2 LEU 6 2.458 11.745 -4.633 53 3HD2 LEU 6 3HD2 LEU 6 1.304 12.816 -5.430 54 H LEU 7 H LEU 7 -2.658 11.043 -7.833 55 HA LEU 7 HA LEU 7 -3.353 10.276 -5.207 56 1HB LEU 7 2HB LEU 7 -4.335 12.224 -6.319 57 2HB LEU 7 1HB LEU 7 -5.136 11.172 -7.471 58 HG LEU 7 HG LEU 7 -6.473 10.198 -5.642 59 1HD1 LEU 7 1HD1 LEU 7 -5.153 12.291 -3.919 60 2HD1 LEU 7 2HD1 LEU 7 -4.884 10.552 -3.817 61 3HD1 LEU 7 3HD1 LEU 7 -6.470 11.221 -3.438 62 1HD2 LEU 7 1HD2 LEU 7 -6.596 13.205 -5.809 63 2HD2 LEU 7 2HD2 LEU 7 -7.890 12.148 -5.246 64 3HD2 LEU 7 3HD2 LEU 7 -7.355 12.069 -6.924 65 H GLU 8 H GLU 8 -4.385 9.026 -8.373 66 HA GLU 8 HA GLU 8 -6.146 7.070 -7.389 67 1HB GLU 8 2HB GLU 8 -5.933 6.055 -9.633 68 2HB GLU 8 1HB GLU 8 -6.243 7.779 -9.695 69 1HG GLU 8 2HG GLU 8 -3.436 6.800 -9.839 70 2HG GLU 8 1HG GLU 8 -4.468 6.676 -11.263 71 H MET 9 H MET 9 -2.701 7.080 -7.929 72 HA MET 9 HA MET 9 -2.199 4.322 -7.692 73 1HB MET 9 2HB MET 9 -0.470 6.670 -6.878 74 2HB MET 9 1HB MET 9 0.093 5.014 -7.049 75 1HG MET 9 2HG MET 9 -0.375 5.055 -9.414 76 2HG MET 9 1HG MET 9 -1.076 6.666 -9.275 77 1HE MET 9 1HE MET 9 3.367 5.823 -8.399 78 2HE MET 9 2HE MET 9 2.221 4.555 -8.838 79 3HE MET 9 3HE MET 9 2.044 5.415 -7.305 80 H THR 10 H THR 10 -2.328 6.916 -5.301 81 HA THR 10 HA THR 10 -1.783 5.309 -3.043 82 HB THR 10 HB THR 10 -3.343 7.901 -3.118 83 HG1 THR 10 1HG THR 10 -1.416 8.359 -4.101 84 1HG2 THR 10 1HG2 THR 10 -2.458 8.200 -0.849 85 2HG2 THR 10 2HG2 THR 10 -1.654 6.634 -0.955 86 3HG2 THR 10 3HG2 THR 10 -3.414 6.721 -0.966 87 H GLU 11 H GLU 11 -4.792 6.426 -4.560 88 HA GLU 11 HA GLU 11 -6.637 5.329 -2.786 89 1HB GLU 11 2HB GLU 11 -6.912 5.522 -5.795 90 2HB GLU 11 1HB GLU 11 -8.229 5.373 -4.645 91 1HG GLU 11 2HG GLU 11 -6.351 7.707 -4.912 92 2HG GLU 11 1HG GLU 11 -8.028 7.647 -5.442 93 H GLN 12 H GLN 12 -5.002 3.878 -5.559 94 HA GLN 12 HA GLN 12 -6.299 1.374 -5.460 95 1HB GLN 12 2HB GLN 12 -5.103 2.117 -7.443 96 2HB GLN 12 1HB GLN 12 -3.587 2.147 -6.555 97 1HG GLN 12 2HG GLN 12 -3.737 -0.287 -6.256 98 2HG GLN 12 1HG GLN 12 -5.227 -0.295 -7.201 99 1HE2 GLN 12 1HE2 GLN 12 -4.300 -1.655 -8.761 100 2HE2 GLN 12 2HE2 GLN 12 -3.133 -1.073 -9.903 101 H MET 13 H MET 13 -3.279 2.552 -4.001 102 HA MET 13 HA MET 13 -2.468 0.089 -2.912 103 1HB MET 13 2HB MET 13 -1.912 2.907 -1.988 104 2HB MET 13 1HB MET 13 -1.143 1.484 -1.297 105 1HG MET 13 2HG MET 13 -0.310 0.935 -3.591 106 2HG MET 13 1HG MET 13 -0.916 2.505 -4.113 107 1HE MET 13 1HE MET 13 1.693 0.598 -1.879 108 2HE MET 13 2HE MET 13 0.741 1.492 -0.693 109 3HE MET 13 3HE MET 13 2.424 1.932 -0.984 110 H ILE 14 H ILE 14 -4.543 2.645 -1.621 111 HA ILE 14 HA ILE 14 -4.981 1.562 0.934 112 HB ILE 14 HB ILE 14 -6.886 3.161 -0.795 113 1HG1 ILE 14 2HG1 ILE 14 -5.025 4.062 1.418 114 2HG1 ILE 14 1HG1 ILE 14 -4.728 4.288 -0.304 115 1HG2 ILE 14 1HG2 ILE 14 -6.961 2.672 2.176 116 2HG2 ILE 14 2HG2 ILE 14 -8.054 1.962 0.991 117 3HG2 ILE 14 3HG2 ILE 14 -8.064 3.704 1.267 118 1HD1 ILE 14 1HD1 ILE 14 -6.990 5.474 1.283 119 2HD1 ILE 14 2HD1 ILE 14 -6.730 5.686 -0.447 120 3HD1 ILE 14 3HD1 ILE 14 -5.557 6.324 0.705 121 H GLU 15 H GLU 15 -6.627 1.061 -2.140 122 HA GLU 15 HA GLU 15 -8.666 -0.642 -1.240 123 1HB GLU 15 2HB GLU 15 -8.520 0.520 -3.462 124 2HB GLU 15 1HB GLU 15 -7.350 -0.697 -3.946 125 1HG GLU 15 2HG GLU 15 -9.509 -1.266 -4.791 126 2HG GLU 15 1HG GLU 15 -9.034 -2.440 -3.570 127 H VAL 16 H VAL 16 -5.453 -1.386 -2.584 128 HA VAL 16 HA VAL 16 -5.722 -4.186 -2.521 129 HB VAL 16 HB VAL 16 -3.175 -2.571 -2.279 130 1HG1 VAL 16 1HG1 VAL 16 -3.602 -5.453 -3.070 131 2HG1 VAL 16 2HG1 VAL 16 -2.844 -4.880 -1.583 132 3HG1 VAL 16 3HG1 VAL 16 -2.069 -4.584 -3.139 133 1HG2 VAL 16 1HG2 VAL 16 -4.562 -3.710 -4.703 134 2HG2 VAL 16 2HG2 VAL 16 -2.978 -2.935 -4.697 135 3HG2 VAL 16 3HG2 VAL 16 -4.417 -2.002 -4.288 136 H ALA 17 H ALA 17 -4.361 -1.930 -0.140 137 HA ALA 17 HA ALA 17 -3.539 -3.846 1.743 138 1HB ALA 17 1HB ALA 17 -3.524 -1.997 3.349 139 2HB ALA 17 2HB ALA 17 -4.441 -1.005 2.215 140 3HB ALA 17 3HB ALA 17 -2.803 -1.522 1.812 141 H GLU 18 H GLU 18 -6.570 -2.014 1.450 142 HA GLU 18 HA GLU 18 -7.866 -3.057 3.695 143 1HB GLU 18 2HB GLU 18 -8.739 -1.785 1.137 144 2HB GLU 18 1HB GLU 18 -9.941 -2.483 2.204 145 1HG GLU 18 2HG GLU 18 -7.930 -0.428 3.062 146 2HG GLU 18 1HG GLU 18 -9.570 -0.053 2.530 147 H LYS 19 H LYS 19 -7.909 -4.122 0.309 148 HA LYS 19 HA LYS 19 -9.748 -6.197 0.566 149 1HB LYS 19 2HB LYS 19 -8.500 -5.053 -1.495 150 2HB LYS 19 1HB LYS 19 -7.452 -6.452 -1.318 151 1HG LYS 19 2HG LYS 19 -8.915 -7.309 -2.769 152 2HG LYS 19 1HG LYS 19 -9.792 -7.703 -1.294 153 1HD LYS 19 2HD LYS 19 -11.366 -6.727 -2.797 154 2HD LYS 19 1HD LYS 19 -11.007 -5.510 -1.569 155 1HE LYS 19 2HE LYS 19 -9.382 -4.475 -3.110 156 2HE LYS 19 1HE LYS 19 -9.816 -5.660 -4.339 157 1HZ LYS 19 1HZ LYS 19 -11.517 -3.515 -3.199 158 2HZ LYS 19 2HZ LYS 19 -12.146 -4.790 -4.136 159 3HZ LYS 19 3HZ LYS 19 -11.025 -3.714 -4.814 160 H GLY 20 H GLY 20 -6.201 -6.222 0.744 161 1HA GLY 20 2HA GLY 20 -5.963 -9.024 1.091 162 2HA GLY 20 1HA GLY 20 -4.721 -7.832 1.443 163 H ALA 21 H ALA 21 -6.239 -6.363 3.395 164 HA ALA 21 HA ALA 21 -5.588 -7.933 5.673 165 1HB ALA 21 1HB ALA 21 -5.363 -5.490 5.622 166 2HB ALA 21 2HB ALA 21 -6.349 -6.041 6.977 167 3HB ALA 21 3HB ALA 21 -7.120 -5.343 5.551 168 H ASP 22 H ASP 22 -8.662 -7.045 4.132 169 HA ASP 22 HA ASP 22 -10.176 -8.351 6.199 170 1HB ASP 22 2HB ASP 22 -10.932 -7.122 3.564 171 2HB ASP 22 1HB ASP 22 -12.096 -8.057 4.501 172 H ARG 23 H ARG 23 -8.888 -9.243 3.070 173 HA ARG 23 HA ARG 23 -10.117 -11.775 2.863 174 1HB ARG 23 2HB ARG 23 -8.834 -10.745 1.022 175 2HB ARG 23 1HB ARG 23 -7.352 -10.923 1.952 176 1HG ARG 23 2HG ARG 23 -7.749 -13.396 1.936 177 2HG ARG 23 1HG ARG 23 -9.075 -13.110 0.810 178 1HD ARG 23 2HD ARG 23 -6.234 -12.230 0.325 179 2HD ARG 23 1HD ARG 23 -6.897 -13.758 -0.251 180 HE ARG 23 HE ARG 23 -8.618 -11.836 -1.193 181 1HH1 ARG 23 1HH1 ARG 23 -5.194 -12.476 -1.457 182 2HH1 ARG 23 2HH1 ARG 23 -5.045 -11.811 -3.053 183 1HH2 ARG 23 1HH2 ARG 23 -8.443 -10.919 -3.298 184 2HH2 ARG 23 2HH2 ARG 23 -6.903 -10.929 -4.103 185 H TYR 24 H TYR 24 -7.316 -10.589 4.587 186 HA TYR 24 HA TYR 24 -6.307 -13.048 5.538 187 1HB TYR 24 2HB TYR 24 -5.304 -10.620 5.545 188 2HB TYR 24 1HB TYR 24 -6.096 -10.501 7.110 189 HD1 TYR 24 1HD TYR 24 -5.148 -11.559 9.046 190 HD2 TYR 24 2HD TYR 24 -3.548 -12.315 5.178 191 HE1 TYR 24 1HE TYR 24 -3.181 -12.636 10.070 192 HE2 TYR 24 2HE TYR 24 -1.589 -13.390 6.186 193 HH TYR 24 HH TYR 24 -1.405 -14.153 9.540 194 H GLN 25 H GLN 25 -8.771 -10.852 6.656 195 HA GLN 25 HA GLN 25 -9.153 -11.944 9.240 196 1HB GLN 25 2HB GLN 25 -9.882 -9.681 8.579 197 2HB GLN 25 1HB GLN 25 -11.063 -10.385 7.486 198 1HG GLN 25 2HG GLN 25 -12.193 -9.680 9.464 199 2HG GLN 25 1HG GLN 25 -12.169 -11.442 9.433 200 1HE2 GLN 25 1HE2 GLN 25 -10.902 -8.583 10.950 201 2HE2 GLN 25 2HE2 GLN 25 -10.249 -9.369 12.348 202 H GLU 26 H GLU 26 -10.900 -12.381 6.170 203 HA GLU 26 HA GLU 26 -12.714 -14.290 7.295 204 1HB GLU 26 2HB GLU 26 -12.172 -13.608 4.401 205 2HB GLU 26 1HB GLU 26 -13.544 -14.533 5.001 206 1HG GLU 26 2HG GLU 26 -14.214 -12.539 6.336 207 2HG GLU 26 1HG GLU 26 -12.929 -11.639 5.533 208 H GLY 27 H GLY 27 -9.659 -14.455 5.619 209 1HA GLY 27 2HA GLY 27 -9.790 -17.297 5.156 210 2HA GLY 27 1HA GLY 27 -8.368 -16.275 4.988 211 H LYS 28 H LYS 28 -10.541 -17.328 7.583 212 HA LYS 28 HA LYS 28 -8.304 -17.299 9.448 213 1HB LYS 28 2HB LYS 28 -10.112 -17.570 11.166 214 2HB LYS 28 1HB LYS 28 -10.230 -16.106 10.199 215 1HG LYS 28 2HG LYS 28 -11.931 -17.197 8.797 216 2HG LYS 28 1HG LYS 28 -11.840 -18.623 9.829 217 1HD LYS 28 2HD LYS 28 -12.522 -15.889 10.890 218 2HD LYS 28 1HD LYS 28 -13.745 -17.003 10.279 219 1HE LYS 28 2HE LYS 28 -13.715 -17.326 12.608 220 2HE LYS 28 1HE LYS 28 -12.829 -18.689 11.936 221 1HZ LYS 28 1HZ LYS 28 -11.710 -16.294 13.281 222 2HZ LYS 28 2HZ LYS 28 -10.758 -17.400 12.422 223 3HZ LYS 28 3HZ LYS 28 -11.616 -17.912 13.786 224 H ASN 29 H ASN 29 -10.173 -19.570 7.668 225 HA ASN 29 HA ASN 29 -9.460 -21.720 9.545 226 1HB ASN 29 2HB ASN 29 -11.841 -21.522 8.753 227 2HB ASN 29 1HB ASN 29 -11.273 -21.920 7.135 228 1HD2 ASN 29 1HD2 ASN 29 -12.485 -23.801 7.045 229 2HD2 ASN 29 2HD2 ASN 29 -12.069 -25.211 7.956 230 H SER 30 H SER 30 -9.311 -20.905 6.095 231 HA SER 30 HA SER 30 -7.720 -23.126 5.345 232 1HB SER 30 2HB SER 30 -7.844 -20.446 3.946 233 2HB SER 30 1HB SER 30 -7.503 -22.022 3.229 234 HG SER 30 HG SER 30 -9.798 -22.404 4.275 235 H ASN 31 H ASN 31 -5.601 -23.484 5.663 236 HA ASN 31 HA ASN 31 -4.011 -21.493 6.996 237 1HB ASN 31 2HB ASN 31 -3.368 -24.272 6.004 238 2HB ASN 31 1HB ASN 31 -2.174 -23.238 6.781 239 1HD2 ASN 31 1HD2 ASN 31 -5.542 -23.265 7.721 240 2HD2 ASN 31 2HD2 ASN 31 -5.307 -24.027 9.257 241 H HIS 32 H HIS 32 -2.655 -23.398 4.340 242 HA HIS 32 HA HIS 32 -2.899 -21.284 2.442 243 1HB HIS 32 2HB HIS 32 -0.425 -20.949 2.085 244 2HB HIS 32 1HB HIS 32 -1.084 -20.214 3.534 245 HD1 HIS 32 1HD HIS 32 0.193 -20.627 5.618 246 HD2 HIS 32 2HD HIS 32 1.061 -23.441 2.682 247 HE1 HIS 32 1HE HIS 32 2.087 -22.003 6.533 248 HE2 HIS 32 2HE HIS 32 2.764 -23.502 4.625 249 H SER 33 H SER 33 -3.947 -23.261 1.660 250 HA SER 33 HA SER 33 -2.241 -25.398 0.755 251 1HB SER 33 2HB SER 33 -4.589 -25.765 1.547 252 2HB SER 33 1HB SER 33 -5.159 -24.911 0.116 253 HG SER 33 HG SER 33 -4.277 -26.520 -1.168 254 H TYR 34 H TYR 34 -0.922 -23.747 -0.414 255 HA TYR 34 HA TYR 34 -1.846 -23.581 -3.195 256 1HB TYR 34 2HB TYR 34 -0.455 -21.364 -1.671 257 2HB TYR 34 1HB TYR 34 -0.776 -21.353 -3.401 258 HD1 TYR 34 1HD TYR 34 -3.216 -21.390 -4.162 259 HD2 TYR 34 2HD TYR 34 -2.058 -20.575 -0.145 260 HE1 TYR 34 1HE TYR 34 -5.399 -20.332 -3.754 261 HE2 TYR 34 2HE TYR 34 -4.244 -19.527 0.278 262 HH TYR 34 HH TYR 34 -6.882 -19.862 -1.813 263 H ASP 35 H ASP 35 -0.198 -23.759 -4.733 264 HA ASP 35 HA ASP 35 2.187 -25.090 -3.873 265 1HB ASP 35 2HB ASP 35 1.161 -25.754 -5.965 266 2HB ASP 35 1HB ASP 35 1.306 -24.118 -6.600 267 H PHE 36 H PHE 36 2.020 -22.318 -6.108 268 HA PHE 36 HA PHE 36 3.376 -20.563 -4.302 269 1HB PHE 36 2HB PHE 36 5.260 -22.014 -5.132 270 2HB PHE 36 1HB PHE 36 4.926 -21.425 -6.756 271 HD1 PHE 36 1HD PHE 36 5.629 -19.256 -7.455 272 HD2 PHE 36 2HD PHE 36 6.103 -20.481 -3.406 273 HE1 PHE 36 1HE PHE 36 7.076 -17.309 -7.038 274 HE2 PHE 36 2HE PHE 36 7.554 -18.541 -2.988 275 HZ PHE 36 HZ PHE 36 8.039 -16.951 -4.799 276 H PHE 37 H PHE 37 3.347 -20.948 -7.842 277 HA PHE 37 HA PHE 37 2.643 -18.149 -8.091 278 1HB PHE 37 2HB PHE 37 2.955 -18.625 -10.571 279 2HB PHE 37 1HB PHE 37 4.379 -18.799 -9.553 280 HD1 PHE 37 1HD PHE 37 5.372 -20.959 -9.161 281 HD2 PHE 37 2HD PHE 37 1.899 -20.558 -11.587 282 HE1 PHE 37 1HE PHE 37 5.727 -23.229 -10.034 283 HE2 PHE 37 2HE PHE 37 2.246 -22.831 -12.461 284 HZ PHE 37 HZ PHE 37 4.163 -24.168 -11.684 285 H GLU 38 H GLU 38 0.725 -20.342 -7.215 286 HA GLU 38 HA GLU 38 -1.370 -20.553 -9.063 287 1HB GLU 38 2HB GLU 38 -1.552 -20.301 -6.056 288 2HB GLU 38 1HB GLU 38 -2.828 -20.884 -7.113 289 1HG GLU 38 2HG GLU 38 -0.159 -22.197 -6.663 290 2HG GLU 38 1HG GLU 38 -1.707 -22.713 -6.003 291 H THR 39 H THR 39 -0.960 -18.276 -6.390 292 HA THR 39 HA THR 39 -2.167 -16.176 -8.037 293 HB THR 39 HB THR 39 -3.916 -16.816 -6.511 294 HG1 THR 39 1HG THR 39 -4.180 -14.710 -6.480 295 1HG2 THR 39 1HG2 THR 39 -3.612 -16.718 -4.063 296 2HG2 THR 39 2HG2 THR 39 -1.887 -16.433 -4.308 297 3HG2 THR 39 3HG2 THR 39 -2.611 -17.958 -4.817 298 H ILE 40 H ILE 40 0.295 -17.206 -5.868 299 HA ILE 40 HA ILE 40 1.201 -14.529 -5.265 300 HB ILE 40 HB ILE 40 2.629 -17.145 -4.699 301 1HG1 ILE 40 2HG1 ILE 40 1.870 -16.493 -2.281 302 2HG1 ILE 40 1HG1 ILE 40 0.630 -15.559 -3.107 303 1HG2 ILE 40 1HG2 ILE 40 3.894 -15.789 -3.063 304 2HG2 ILE 40 2HG2 ILE 40 3.074 -14.345 -3.658 305 3HG2 ILE 40 3HG2 ILE 40 4.142 -15.258 -4.726 306 1HD1 ILE 40 1HD1 ILE 40 -0.212 -17.571 -4.158 307 2HD1 ILE 40 2HD1 ILE 40 -0.165 -17.761 -2.405 308 3HD1 ILE 40 3HD1 ILE 40 1.070 -18.522 -3.410 309 H LYS 41 H LYS 41 1.221 -14.079 -7.596 310 HA LYS 41 HA LYS 41 3.882 -13.962 -8.512 311 1HB LYS 41 2HB LYS 41 3.696 -16.185 -9.277 312 2HB LYS 41 1HB LYS 41 2.076 -15.933 -9.894 313 1HG LYS 41 2HG LYS 41 3.763 -16.124 -11.668 314 2HG LYS 41 1HG LYS 41 2.916 -14.576 -11.697 315 1HD LYS 41 2HD LYS 41 4.828 -13.568 -10.481 316 2HD LYS 41 1HD LYS 41 5.676 -15.111 -10.605 317 1HE LYS 41 2HE LYS 41 5.782 -14.971 -12.962 318 2HE LYS 41 1HE LYS 41 4.624 -13.641 -13.006 319 1HZ LYS 41 1HZ LYS 41 6.244 -12.232 -11.911 320 2HZ LYS 41 2HZ LYS 41 6.876 -12.854 -13.352 321 3HZ LYS 41 3HZ LYS 41 7.362 -13.505 -11.865 322 HA PRO 42 HA PRO 42 0.956 -11.844 -11.828 323 1HB PRO 42 2HB PRO 42 -1.609 -11.918 -10.326 324 2HB PRO 42 1HB PRO 42 -1.314 -12.074 -12.063 325 1HG PRO 42 2HG PRO 42 -1.944 -14.202 -10.598 326 2HG PRO 42 1HG PRO 42 -0.741 -14.314 -11.896 327 1HD PRO 42 2HD PRO 42 -0.333 -14.173 -8.940 328 2HD PRO 42 1HD PRO 42 0.533 -15.129 -10.155 329 H ALA 43 H ALA 43 0.322 -11.596 -8.368 330 HA ALA 43 HA ALA 43 -0.195 -8.774 -8.437 331 1HB ALA 43 1HB ALA 43 -1.226 -10.236 -6.758 332 2HB ALA 43 2HB ALA 43 -0.295 -8.935 -6.015 333 3HB ALA 43 3HB ALA 43 0.368 -10.568 -6.079 334 H VAL 44 H VAL 44 2.629 -10.721 -8.265 335 HA VAL 44 HA VAL 44 4.252 -9.115 -6.623 336 HB VAL 44 HB VAL 44 5.104 -10.986 -8.841 337 1HG1 VAL 44 1HG1 VAL 44 7.251 -11.083 -7.673 338 2HG1 VAL 44 2HG1 VAL 44 6.685 -9.872 -6.523 339 3HG1 VAL 44 3HG1 VAL 44 6.893 -9.446 -8.222 340 1HG2 VAL 44 1HG2 VAL 44 5.469 -12.590 -6.995 341 2HG2 VAL 44 2HG2 VAL 44 3.775 -12.142 -7.191 342 3HG2 VAL 44 3HG2 VAL 44 4.727 -11.441 -5.882 343 H GLU 45 H GLU 45 4.011 -9.275 -10.182 344 HA GLU 45 HA GLU 45 5.829 -7.236 -10.736 345 1HB GLU 45 2HB GLU 45 3.494 -8.357 -12.244 346 2HB GLU 45 1HB GLU 45 4.410 -7.000 -12.876 347 1HG GLU 45 2HG GLU 45 5.251 -9.001 -13.850 348 2HG GLU 45 1HG GLU 45 6.461 -8.376 -12.737 349 H GLU 46 H GLU 46 2.353 -7.075 -10.063 350 HA GLU 46 HA GLU 46 2.024 -4.358 -10.639 351 1HB GLU 46 2HB GLU 46 0.561 -6.234 -8.795 352 2HB GLU 46 1HB GLU 46 0.045 -4.603 -9.119 353 1HG GLU 46 2HG GLU 46 0.297 -6.818 -11.125 354 2HG GLU 46 1HG GLU 46 -1.202 -6.145 -10.483 355 H ASN 47 H ASN 47 2.537 -6.027 -7.537 356 HA ASN 47 HA ASN 47 2.586 -3.734 -5.931 357 1HB ASN 47 2HB ASN 47 3.918 -6.416 -5.506 358 2HB ASN 47 1HB ASN 47 3.780 -5.172 -4.268 359 1HD2 ASN 47 1HD2 ASN 47 1.109 -4.361 -5.177 360 2HD2 ASN 47 2HD2 ASN 47 0.036 -5.600 -4.636 361 H ASP 48 H ASP 48 5.249 -5.474 -7.501 362 HA ASP 48 HA ASP 48 7.377 -3.990 -6.476 363 1HB ASP 48 2HB ASP 48 7.764 -6.036 -7.717 364 2HB ASP 48 1HB ASP 48 7.086 -5.322 -9.178 365 H GLU 49 H GLU 49 5.664 -3.513 -9.564 366 HA GLU 49 HA GLU 49 6.913 -1.120 -10.295 367 1HB GLU 49 2HB GLU 49 4.206 -2.258 -10.948 368 2HB GLU 49 1HB GLU 49 4.827 -0.782 -11.682 369 1HG GLU 49 2HG GLU 49 6.273 -3.405 -11.775 370 2HG GLU 49 1HG GLU 49 5.137 -2.876 -13.004 371 H LEU 50 H LEU 50 4.003 -1.754 -8.431 372 HA LEU 50 HA LEU 50 3.005 0.838 -8.216 373 1HB LEU 50 2HB LEU 50 2.026 -1.468 -7.511 374 2HB LEU 50 1HB LEU 50 2.818 -1.157 -5.982 375 HG LEU 50 HG LEU 50 1.503 0.968 -5.816 376 1HD1 LEU 50 1HD1 LEU 50 -0.460 1.199 -7.258 377 2HD1 LEU 50 2HD1 LEU 50 0.060 -0.209 -8.186 378 3HD1 LEU 50 3HD1 LEU 50 1.036 1.261 -8.189 379 1HD2 LEU 50 1HD2 LEU 50 -0.056 -1.606 -6.047 380 2HD2 LEU 50 2HD2 LEU 50 -0.600 -0.153 -5.209 381 3HD2 LEU 50 3HD2 LEU 50 0.808 -1.036 -4.619 382 H ALA 51 H ALA 51 5.077 -0.963 -5.964 383 HA ALA 51 HA ALA 51 5.346 1.054 -4.044 384 1HB ALA 51 1HB ALA 51 7.258 -1.181 -4.708 385 2HB ALA 51 2HB ALA 51 5.894 -1.271 -3.595 386 3HB ALA 51 3HB ALA 51 7.264 -0.225 -3.226 387 H ALA 52 H ALA 52 7.384 0.263 -6.839 388 HA ALA 52 HA ALA 52 9.414 2.139 -6.281 389 1HB ALA 52 1HB ALA 52 8.594 0.981 -8.940 390 2HB ALA 52 2HB ALA 52 9.746 0.271 -7.811 391 3HB ALA 52 3HB ALA 52 10.114 1.808 -8.593 392 H ARG 53 H ARG 53 6.640 2.304 -8.506 393 HA ARG 53 HA ARG 53 7.189 4.902 -9.440 394 1HB ARG 53 2HB ARG 53 5.508 2.866 -10.120 395 2HB ARG 53 1HB ARG 53 4.383 4.013 -9.418 396 1HG ARG 53 2HG ARG 53 6.328 4.755 -11.575 397 2HG ARG 53 1HG ARG 53 4.713 4.136 -11.898 398 1HD ARG 53 2HD ARG 53 3.822 6.007 -10.479 399 2HD ARG 53 1HD ARG 53 5.456 6.666 -10.449 400 HE ARG 53 HE ARG 53 5.003 6.399 -13.088 401 1HH1 ARG 53 1HH1 ARG 53 3.069 7.805 -10.525 402 2HH1 ARG 53 2HH1 ARG 53 2.307 8.974 -11.557 403 1HH2 ARG 53 1HH2 ARG 53 4.000 7.949 -14.457 404 2HH2 ARG 53 2HH2 ARG 53 2.848 9.063 -13.782 405 H TRP 54 H TRP 54 5.202 3.696 -6.764 406 HA TRP 54 HA TRP 54 3.944 6.189 -6.220 407 1HB TRP 54 2HB TRP 54 3.055 3.981 -5.469 408 2HB TRP 54 1HB TRP 54 4.373 3.890 -4.303 409 HD1 TRP 54 HD TRP 54 1.312 6.128 -5.093 410 HE1 TRP 54 1HE TRP 54 0.471 7.149 -2.882 411 HE3 TRP 54 3HE TRP 54 4.939 4.354 -1.970 412 HZ2 TRP 54 2HZ TRP 54 1.257 7.188 -0.167 413 HZ3 TRP 54 3HZ TRP 54 4.826 4.922 0.418 414 HH2 TRP 54 HH TRP 54 3.022 6.311 1.303 415 H ALA 55 H ALA 55 6.781 4.553 -4.848 416 HA ALA 55 HA ALA 55 7.438 6.458 -2.911 417 1HB ALA 55 1HB ALA 55 8.504 4.248 -3.078 418 2HB ALA 55 2HB ALA 55 9.690 5.550 -3.003 419 3HB ALA 55 3HB ALA 55 9.334 4.771 -4.544 420 H GLU 56 H GLU 56 8.406 6.224 -6.313 421 HA GLU 56 HA GLU 56 10.032 8.466 -6.456 422 1HB GLU 56 2HB GLU 56 8.403 6.888 -8.391 423 2HB GLU 56 1HB GLU 56 9.229 8.335 -8.918 424 1HG GLU 56 2HG GLU 56 10.559 6.008 -7.573 425 2HG GLU 56 1HG GLU 56 10.509 6.276 -9.309 426 H GLY 57 H GLY 57 6.525 8.137 -6.875 427 1HA GLY 57 2HA GLY 57 6.123 10.850 -7.681 428 2HA GLY 57 1HA GLY 57 4.877 9.718 -7.179 429 H ALA 58 H ALA 58 5.788 9.122 -4.603 430 HA ALA 58 HA ALA 58 4.740 11.307 -3.143 431 1HB ALA 58 1HB ALA 58 5.265 10.018 -1.163 432 2HB ALA 58 2HB ALA 58 6.308 8.952 -2.104 433 3HB ALA 58 3HB ALA 58 4.569 8.967 -2.398 434 H LEU 59 H LEU 59 8.044 10.105 -3.609 435 HA LEU 59 HA LEU 59 9.339 11.926 -1.921 436 1HB LEU 59 2HB LEU 59 10.177 10.297 -4.295 437 2HB LEU 59 1HB LEU 59 11.290 11.398 -3.525 438 HG LEU 59 HG LEU 59 9.930 9.050 -2.207 439 1HD1 LEU 59 1HD1 LEU 59 12.190 8.116 -2.068 440 2HD1 LEU 59 2HD1 LEU 59 12.805 9.488 -2.991 441 3HD1 LEU 59 3HD1 LEU 59 11.674 8.361 -3.738 442 1HD2 LEU 59 1HD2 LEU 59 11.955 10.982 -1.084 443 2HD2 LEU 59 2HD2 LEU 59 11.336 9.541 -0.277 444 3HD2 LEU 59 3HD2 LEU 59 10.253 10.886 -0.633 445 H GLU 60 H GLU 60 8.331 12.123 -5.274 446 HA GLU 60 HA GLU 60 9.522 14.571 -5.953 447 1HB GLU 60 2HB GLU 60 8.440 13.040 -7.574 448 2HB GLU 60 1HB GLU 60 6.874 13.435 -6.886 449 1HG GLU 60 2HG GLU 60 7.172 14.658 -8.923 450 2HG GLU 60 1HG GLU 60 7.197 15.782 -7.566 451 H LEU 61 H LEU 61 6.334 13.848 -4.553 452 HA LEU 61 HA LEU 61 5.400 16.502 -4.552 453 1HB LEU 61 2HB LEU 61 4.012 14.418 -4.376 454 2HB LEU 61 1HB LEU 61 4.528 14.279 -2.708 455 HG LEU 61 HG LEU 61 3.161 16.786 -3.625 456 1HD1 LEU 61 1HD1 LEU 61 1.783 14.228 -2.809 457 2HD1 LEU 61 2HD1 LEU 61 1.740 14.966 -4.411 458 3HD1 LEU 61 3HD1 LEU 61 1.004 15.793 -3.039 459 1HD2 LEU 61 1HD2 LEU 61 2.397 16.828 -1.307 460 2HD2 LEU 61 2HD2 LEU 61 4.155 16.712 -1.387 461 3HD2 LEU 61 3HD2 LEU 61 3.194 15.284 -1.007 462 H ILE 62 H ILE 62 6.898 14.562 -1.966 463 HA ILE 62 HA ILE 62 6.765 16.693 -0.063 464 HB ILE 62 HB ILE 62 8.188 15.323 1.366 465 1HG1 ILE 62 2HG1 ILE 62 8.333 13.401 -0.969 466 2HG1 ILE 62 1HG1 ILE 62 9.661 14.413 -0.413 467 1HG2 ILE 62 1HG2 ILE 62 6.692 13.404 1.598 468 2HG2 ILE 62 2HG2 ILE 62 6.027 13.726 -0.003 469 3HG2 ILE 62 3HG2 ILE 62 5.790 14.890 1.300 470 1HD1 ILE 62 1HD1 ILE 62 8.319 12.227 1.159 471 2HD1 ILE 62 2HD1 ILE 62 9.629 13.254 1.741 472 3HD1 ILE 62 3HD1 ILE 62 9.907 12.149 0.395 473 H LYS 63 H LYS 63 8.747 16.124 -2.704 474 HA LYS 63 HA LYS 63 11.027 17.612 -1.747 475 1HB LYS 63 2HB LYS 63 11.400 15.981 -3.486 476 2HB LYS 63 1HB LYS 63 10.168 16.716 -4.503 477 1HG LYS 63 2HG LYS 63 11.913 18.792 -4.048 478 2HG LYS 63 1HG LYS 63 12.978 17.391 -4.185 479 1HD LYS 63 2HD LYS 63 12.065 16.832 -6.333 480 2HD LYS 63 1HD LYS 63 10.824 18.078 -6.179 481 1HE LYS 63 2HE LYS 63 12.650 19.775 -6.077 482 2HE LYS 63 1HE LYS 63 13.798 18.487 -6.436 483 1HZ LYS 63 1HZ LYS 63 12.670 18.098 -8.533 484 2HZ LYS 63 2HZ LYS 63 13.156 19.719 -8.425 485 3HZ LYS 63 3HZ LYS 63 11.530 19.301 -8.179 486 H VAL 64 H VAL 64 8.223 18.164 -3.816 487 HA VAL 64 HA VAL 64 8.854 20.750 -4.693 488 HB VAL 64 HB VAL 64 6.125 19.504 -4.330 489 1HG1 VAL 64 1HG1 VAL 64 5.370 21.117 -6.007 490 2HG1 VAL 64 2HG1 VAL 64 6.972 21.853 -6.022 491 3HG1 VAL 64 3HG1 VAL 64 5.981 21.926 -4.566 492 1HG2 VAL 64 1HG2 VAL 64 7.930 19.599 -6.745 493 2HG2 VAL 64 2HG2 VAL 64 6.295 18.940 -6.705 494 3HG2 VAL 64 3HG2 VAL 64 7.578 18.174 -5.768 495 H ARG 65 H ARG 65 6.864 19.686 -1.954 496 HA ARG 65 HA ARG 65 6.901 22.457 -0.957 497 1HB ARG 65 2HB ARG 65 4.657 22.015 0.011 498 2HB ARG 65 1HB ARG 65 4.672 21.945 -1.745 499 1HG ARG 65 2HG ARG 65 3.595 20.014 -1.528 500 2HG ARG 65 1HG ARG 65 5.142 19.335 -1.019 501 1HD ARG 65 2HD ARG 65 3.404 18.754 0.572 502 2HD ARG 65 1HD ARG 65 4.576 19.840 1.319 503 HE ARG 65 HE ARG 65 2.970 21.612 1.152 504 1HH1 ARG 65 1HH1 ARG 65 1.753 18.411 0.477 505 2HH1 ARG 65 2HH1 ARG 65 0.091 18.859 0.648 506 1HH2 ARG 65 1HH2 ARG 65 0.799 22.221 1.430 507 2HH2 ARG 65 2HH2 ARG 65 -0.460 21.047 1.211 508 H ARG 66 H ARG 66 6.168 22.397 1.499 509 HA ARG 66 HA ARG 66 7.989 20.530 2.821 510 1HB ARG 66 2HB ARG 66 6.549 23.008 3.754 511 2HB ARG 66 1HB ARG 66 7.360 21.929 4.876 512 1HG ARG 66 2HG ARG 66 8.869 23.666 4.474 513 2HG ARG 66 1HG ARG 66 9.457 22.316 3.505 514 1HD ARG 66 2HD ARG 66 8.592 23.278 1.502 515 2HD ARG 66 1HD ARG 66 7.707 24.505 2.407 516 HE ARG 66 HE ARG 66 10.297 24.930 3.110 517 1HH1 ARG 66 1HH1 ARG 66 8.609 24.736 0.052 518 2HH1 ARG 66 2HH1 ARG 66 9.707 25.810 -0.765 519 1HH2 ARG 66 1HH2 ARG 66 11.707 26.386 2.070 520 2HH2 ARG 66 2HH2 ARG 66 11.464 26.766 0.388 521 HA PRO 67 HA PRO 67 4.279 18.099 3.697 522 1HB PRO 67 2HB PRO 67 5.610 15.925 4.623 523 2HB PRO 67 1HB PRO 67 5.412 16.258 2.899 524 1HG PRO 67 2HG PRO 67 7.767 16.769 4.669 525 2HG PRO 67 1HG PRO 67 7.726 16.134 3.014 526 1HD PRO 67 2HD PRO 67 8.327 18.722 3.587 527 2HD PRO 67 1HD PRO 67 7.526 18.229 2.080 528 H LYS 68 H LYS 68 3.530 16.954 5.708 529 HA LYS 68 HA LYS 68 4.904 17.574 8.157 530 1HB LYS 68 2HB LYS 68 3.031 18.853 9.160 531 2HB LYS 68 1HB LYS 68 3.903 19.711 7.905 532 1HG LYS 68 2HG LYS 68 1.376 18.242 7.278 533 2HG LYS 68 1HG LYS 68 1.347 19.849 7.990 534 1HD LYS 68 2HD LYS 68 2.845 19.197 5.461 535 2HD LYS 68 1HD LYS 68 1.172 19.751 5.471 536 1HE LYS 68 2HE LYS 68 2.557 21.650 5.060 537 2HE LYS 68 1HE LYS 68 1.940 21.790 6.702 538 1HZ LYS 68 1HZ LYS 68 4.020 21.153 7.590 539 2HZ LYS 68 2HZ LYS 68 4.352 22.325 6.411 540 3HZ LYS 68 3HZ LYS 68 4.619 20.687 6.073 541 H TYR 69 H TYR 69 2.195 16.191 6.466 542 HA TYR 69 HA TYR 69 1.414 14.691 8.852 543 1HB TYR 69 2HB TYR 69 0.167 14.771 6.091 544 2HB TYR 69 1HB TYR 69 -0.494 13.927 7.491 545 HD1 TYR 69 1HD TYR 69 -0.639 16.889 5.623 546 HD2 TYR 69 2HD TYR 69 -0.823 15.467 9.628 547 HE1 TYR 69 1HE TYR 69 -1.805 18.945 6.293 548 HE2 TYR 69 2HE TYR 69 -2.000 17.516 10.306 549 HH TYR 69 HH TYR 69 -3.384 19.648 8.151 550 H VAL 70 H VAL 70 2.797 14.268 5.660 551 HA VAL 70 HA VAL 70 3.284 11.441 6.263 552 HB VAL 70 HB VAL 70 2.228 11.843 4.112 553 1HG1 VAL 70 1HG1 VAL 70 4.647 13.513 3.448 554 2HG1 VAL 70 2HG1 VAL 70 3.000 14.100 3.678 555 3HG1 VAL 70 3HG1 VAL 70 3.377 13.046 2.315 556 1HG2 VAL 70 1HG2 VAL 70 3.804 10.659 2.660 557 2HG2 VAL 70 2HG2 VAL 70 3.752 9.958 4.277 558 3HG2 VAL 70 3HG2 VAL 70 5.103 10.989 3.807 559 H HIS 71 H HIS 71 5.335 10.603 6.377 560 HA HIS 71 HA HIS 71 7.546 12.559 6.273 561 1HB HIS 71 2HB HIS 71 7.321 10.079 8.000 562 2HB HIS 71 1HB HIS 71 8.710 11.158 7.940 563 HD1 HIS 71 1HD HIS 71 8.163 13.716 8.746 564 HD2 HIS 71 2HD HIS 71 5.456 10.756 9.848 565 HE1 HIS 71 1HE HIS 71 6.817 14.692 10.633 566 HE2 HIS 71 2HE HIS 71 5.220 12.865 11.324 567 H LYS 72 H LYS 72 9.598 11.763 5.500 568 HA LYS 72 HA LYS 72 9.284 10.148 3.184 569 1HB LYS 72 2HB LYS 72 11.747 10.410 2.932 570 2HB LYS 72 1HB LYS 72 10.890 11.928 3.146 571 1HG LYS 72 2HG LYS 72 11.523 11.788 5.589 572 2HG LYS 72 1HG LYS 72 12.605 10.473 5.131 573 1HD LYS 72 2HD LYS 72 13.813 12.583 5.210 574 2HD LYS 72 1HD LYS 72 13.745 11.973 3.554 575 1HE LYS 72 2HE LYS 72 11.927 13.500 3.041 576 2HE LYS 72 1HE LYS 72 11.900 14.064 4.709 577 1HZ LYS 72 1HZ LYS 72 13.096 15.532 3.095 578 2HZ LYS 72 2HZ LYS 72 14.276 14.322 2.957 579 3HZ LYS 72 3HZ LYS 72 14.006 15.072 4.455 580 H GLU 73 H GLU 73 10.372 9.461 6.439 581 HA GLU 73 HA GLU 73 11.430 6.898 6.021 582 1HB GLU 73 2HB GLU 73 10.042 8.197 8.338 583 2HB GLU 73 1HB GLU 73 10.493 6.499 8.402 584 1HG GLU 73 2HG GLU 73 12.393 8.778 7.912 585 2HG GLU 73 1HG GLU 73 12.138 7.975 9.459 586 H GLN 74 H GLN 74 8.134 8.040 6.435 587 HA GLN 74 HA GLN 74 6.878 5.551 6.720 588 1HB GLN 74 2HB GLN 74 5.891 8.233 5.781 589 2HB GLN 74 1HB GLN 74 4.829 6.845 5.929 590 1HG GLN 74 2HG GLN 74 5.351 6.696 8.306 591 2HG GLN 74 1HG GLN 74 6.421 8.090 8.152 592 1HE2 GLN 74 1HE2 GLN 74 3.114 6.999 8.115 593 2HE2 GLN 74 2HE2 GLN 74 2.397 8.560 8.323 594 H ILE 75 H ILE 75 7.616 7.482 3.864 595 HA ILE 75 HA ILE 75 6.211 5.920 1.993 596 HB ILE 75 HB ILE 75 8.772 7.450 1.499 597 1HG1 ILE 75 2HG1 ILE 75 7.116 8.889 2.581 598 2HG1 ILE 75 1HG1 ILE 75 7.328 9.349 0.897 599 1HG2 ILE 75 1HG2 ILE 75 7.929 7.659 -0.795 600 2HG2 ILE 75 2HG2 ILE 75 6.555 6.639 -0.367 601 3HG2 ILE 75 3HG2 ILE 75 8.188 5.978 -0.328 602 1HD1 ILE 75 1HD1 ILE 75 5.267 8.178 0.321 603 2HD1 ILE 75 2HD1 ILE 75 4.994 9.419 1.543 604 3HD1 ILE 75 3HD1 ILE 75 5.056 7.719 2.011 605 H GLU 76 H GLU 76 9.519 5.728 3.177 606 HA GLU 76 HA GLU 76 10.265 3.530 1.518 607 1HB GLU 76 2HB GLU 76 11.479 4.764 3.987 608 2HB GLU 76 1HB GLU 76 12.207 3.401 3.146 609 1HG GLU 76 2HG GLU 76 11.554 5.992 1.775 610 2HG GLU 76 1HG GLU 76 13.103 5.687 2.557 611 H ALA 77 H ALA 77 9.021 3.870 4.788 612 HA ALA 77 HA ALA 77 9.319 1.177 5.579 613 1HB ALA 77 1HB ALA 77 8.914 3.017 7.163 614 2HB ALA 77 2HB ALA 77 7.758 1.699 7.359 615 3HB ALA 77 3HB ALA 77 7.273 3.180 6.533 616 H VAL 78 H VAL 78 6.571 2.942 4.144 617 HA VAL 78 HA VAL 78 4.793 0.749 4.140 618 HB VAL 78 HB VAL 78 4.846 3.233 2.417 619 1HG1 VAL 78 1HG1 VAL 78 3.654 1.473 1.218 620 2HG1 VAL 78 2HG1 VAL 78 2.531 2.696 1.814 621 3HG1 VAL 78 3HG1 VAL 78 2.677 1.148 2.648 622 1HG2 VAL 78 1HG2 VAL 78 4.466 3.560 4.819 623 2HG2 VAL 78 2HG2 VAL 78 3.105 2.439 4.744 624 3HG2 VAL 78 3HG2 VAL 78 3.045 3.965 3.858 625 H LYS 79 H LYS 79 7.147 1.895 1.793 626 HA LYS 79 HA LYS 79 6.499 0.287 -0.374 627 1HB LYS 79 2HB LYS 79 8.161 2.120 -0.392 628 2HB LYS 79 1HB LYS 79 9.255 1.121 0.551 629 1HG LYS 79 2HG LYS 79 9.382 -0.482 -1.283 630 2HG LYS 79 1HG LYS 79 8.270 0.512 -2.227 631 1HD LYS 79 2HD LYS 79 10.515 0.987 -2.951 632 2HD LYS 79 1HD LYS 79 9.906 2.387 -2.066 633 1HE LYS 79 2HE LYS 79 11.083 1.550 -0.044 634 2HE LYS 79 1HE LYS 79 11.778 0.262 -1.026 635 1HZ LYS 79 1HZ LYS 79 12.255 3.182 -1.245 636 2HZ LYS 79 2HZ LYS 79 12.726 2.083 -2.457 637 3HZ LYS 79 3HZ LYS 79 13.381 1.961 -0.897 638 H ASP 80 H ASP 80 8.617 -0.430 2.378 639 HA ASP 80 HA ASP 80 9.227 -3.087 1.463 640 1HB ASP 80 2HB ASP 80 10.843 -1.857 2.810 641 2HB ASP 80 1HB ASP 80 9.683 -1.719 4.127 642 H ASN 81 H ASN 81 7.188 -1.712 4.024 643 HA ASN 81 HA ASN 81 6.309 -4.134 5.132 644 1HB ASN 81 2HB ASN 81 5.192 -1.347 5.139 645 2HB ASN 81 1HB ASN 81 4.274 -2.669 5.845 646 1HD2 ASN 81 1HD2 ASN 81 4.420 -1.699 7.874 647 2HD2 ASN 81 2HD2 ASN 81 5.877 -1.746 8.805 648 H PHE 82 H PHE 82 5.041 -2.241 2.441 649 HA PHE 82 HA PHE 82 2.550 -3.515 2.189 650 1HB PHE 82 2HB PHE 82 3.309 -1.371 1.059 651 2HB PHE 82 1HB PHE 82 4.177 -2.379 -0.091 652 HD1 PHE 82 1HD PHE 82 3.086 -3.324 -1.925 653 HD2 PHE 82 2HD PHE 82 0.812 -1.612 1.235 654 HE1 PHE 82 1HE PHE 82 1.049 -3.510 -3.294 655 HE2 PHE 82 2HE PHE 82 -1.230 -1.797 -0.123 656 HZ PHE 82 HZ PHE 82 -1.112 -2.748 -2.394 657 H LEU 83 H LEU 83 5.658 -4.172 0.621 658 HA LEU 83 HA LEU 83 4.806 -6.291 -1.006 659 1HB LEU 83 2HB LEU 83 7.477 -5.527 0.137 660 2HB LEU 83 1HB LEU 83 7.292 -6.956 -0.858 661 HG LEU 83 HG LEU 83 6.597 -4.156 -1.754 662 1HD1 LEU 83 1HD1 LEU 83 9.014 -5.845 -2.390 663 2HD1 LEU 83 2HD1 LEU 83 9.000 -4.404 -1.372 664 3HD1 LEU 83 3HD1 LEU 83 8.629 -4.274 -3.092 665 1HD2 LEU 83 1HD2 LEU 83 6.822 -6.745 -3.283 666 2HD2 LEU 83 2HD2 LEU 83 6.484 -5.158 -3.972 667 3HD2 LEU 83 3HD2 LEU 83 5.322 -5.908 -2.879 668 H GLU 84 H GLU 84 6.103 -6.266 2.288 669 HA GLU 84 HA GLU 84 6.096 -9.082 2.618 670 1HB GLU 84 2HB GLU 84 7.414 -7.595 4.057 671 2HB GLU 84 1HB GLU 84 5.937 -6.885 4.693 672 1HG GLU 84 2HG GLU 84 5.311 -9.024 5.670 673 2HG GLU 84 1HG GLU 84 6.766 -9.762 5.005 674 H LEU 85 H LEU 85 3.768 -6.542 3.345 675 HA LEU 85 HA LEU 85 1.875 -7.980 4.770 676 1HB LEU 85 2HB LEU 85 1.944 -5.511 4.413 677 2HB LEU 85 1HB LEU 85 1.362 -5.763 2.786 678 HG LEU 85 HG LEU 85 -0.285 -6.794 5.059 679 1HD1 LEU 85 1HD1 LEU 85 -0.259 -3.918 4.138 680 2HD1 LEU 85 2HD1 LEU 85 0.327 -4.496 5.698 681 3HD1 LEU 85 3HD1 LEU 85 -1.383 -4.641 5.290 682 1HD2 LEU 85 1HD2 LEU 85 -0.936 -7.288 2.750 683 2HD2 LEU 85 2HD2 LEU 85 -0.962 -5.562 2.387 684 3HD2 LEU 85 3HD2 LEU 85 -2.112 -6.238 3.539 685 H VAL 86 H VAL 86 2.039 -7.407 1.264 686 HA VAL 86 HA VAL 86 -0.215 -8.881 0.527 687 HB VAL 86 HB VAL 86 2.340 -8.511 -1.054 688 1HG1 VAL 86 1HG1 VAL 86 -0.433 -9.233 -2.011 689 2HG1 VAL 86 2HG1 VAL 86 0.945 -10.329 -1.931 690 3HG1 VAL 86 3HG1 VAL 86 0.980 -8.950 -3.028 691 1HG2 VAL 86 1HG2 VAL 86 1.331 -6.397 -0.363 692 2HG2 VAL 86 2HG2 VAL 86 -0.214 -6.903 -1.046 693 3HG2 VAL 86 3HG2 VAL 86 1.173 -6.637 -2.103 694 H LEU 87 H LEU 87 3.171 -9.930 0.848 695 HA LEU 87 HA LEU 87 2.787 -12.595 0.052 696 1HB LEU 87 2HB LEU 87 4.989 -11.554 0.243 697 2HB LEU 87 1HB LEU 87 4.802 -11.439 1.981 698 HG LEU 87 HG LEU 87 4.754 -13.921 2.103 699 1HD1 LEU 87 1HD1 LEU 87 5.430 -13.745 -0.829 700 2HD1 LEU 87 2HD1 LEU 87 3.954 -14.412 -0.133 701 3HD1 LEU 87 3HD1 LEU 87 5.501 -15.208 0.151 702 1HD2 LEU 87 1HD2 LEU 87 7.147 -14.229 1.698 703 2HD2 LEU 87 2HD2 LEU 87 6.817 -12.695 2.504 704 3HD2 LEU 87 3HD2 LEU 87 7.183 -12.723 0.779 705 H GLN 88 H GLN 88 2.564 -11.058 3.236 706 HA GLN 88 HA GLN 88 2.250 -13.441 4.726 707 1HB GLN 88 2HB GLN 88 1.283 -10.656 5.406 708 2HB GLN 88 1HB GLN 88 1.423 -11.996 6.534 709 1HG GLN 88 2HG GLN 88 3.669 -10.587 5.108 710 2HG GLN 88 1HG GLN 88 3.275 -10.499 6.824 711 1HE2 GLN 88 1HE2 GLN 88 4.705 -12.383 4.304 712 2HE2 GLN 88 2HE2 GLN 88 5.441 -13.568 5.324 713 H SER 89 H SER 89 -0.017 -11.354 3.065 714 HA SER 89 HA SER 89 -2.389 -12.122 4.283 715 1HB SER 89 2HB SER 89 -2.151 -10.221 2.712 716 2HB SER 89 1HB SER 89 -1.997 -11.365 1.380 717 HG SER 89 HG SER 89 -4.248 -10.743 2.952 718 H TYR 90 H TYR 90 -0.611 -13.694 1.677 719 HA TYR 90 HA TYR 90 -2.738 -15.573 1.177 720 1HB TYR 90 2HB TYR 90 0.066 -15.356 0.081 721 2HB TYR 90 1HB TYR 90 -1.064 -16.620 -0.392 722 HD1 TYR 90 1HD TYR 90 -3.384 -15.772 -1.252 723 HD2 TYR 90 2HD TYR 90 0.138 -13.399 -1.155 724 HE1 TYR 90 1HE TYR 90 -4.344 -14.294 -2.960 725 HE2 TYR 90 2HE TYR 90 -0.810 -11.910 -2.867 726 HH TYR 90 HH TYR 90 -2.576 -12.118 -4.717 727 H VAL 91 H VAL 91 0.532 -15.744 2.583 728 HA VAL 91 HA VAL 91 0.287 -18.572 3.015 729 HB VAL 91 HB VAL 91 2.483 -18.433 4.100 730 1HG1 VAL 91 1HG1 VAL 91 2.273 -16.888 1.517 731 2HG1 VAL 91 2HG1 VAL 91 2.415 -18.638 1.691 732 3HG1 VAL 91 3HG1 VAL 91 3.757 -17.592 2.158 733 1HG2 VAL 91 1HG2 VAL 91 3.683 -16.310 4.235 734 2HG2 VAL 91 2HG2 VAL 91 2.221 -16.276 5.221 735 3HG2 VAL 91 3HG2 VAL 91 2.252 -15.458 3.659 736 H HIS 92 H HIS 92 -0.519 -15.774 4.828 737 HA HIS 92 HA HIS 92 -1.273 -15.412 6.936 738 1HB HIS 92 2HB HIS 92 -1.915 -18.372 6.821 739 2HB HIS 92 1HB HIS 92 -2.498 -17.266 8.057 740 HD1 HIS 92 1HD HIS 92 -3.825 -18.905 5.339 741 HD2 HIS 92 2HD HIS 92 -3.743 -14.884 6.374 742 HE1 HIS 92 1HE HIS 92 -5.730 -17.847 4.093 743 HE2 HIS 92 2HE HIS 92 -5.535 -15.390 4.590 744 H HIS 93 H HIS 93 1.295 -15.376 6.943 745 HA HIS 93 HA HIS 93 2.537 -17.398 8.571 746 1HB HIS 93 2HB HIS 93 3.810 -16.347 6.790 747 2HB HIS 93 1HB HIS 93 3.561 -14.760 7.504 748 HD1 HIS 93 1HD HIS 93 5.519 -17.941 7.983 749 HD2 HIS 93 2HD HIS 93 5.342 -14.076 9.524 750 HE1 HIS 93 1HE HIS 93 7.589 -17.667 9.384 751 HE2 HIS 93 2HE HIS 93 7.527 -15.287 10.202 752 H ILE 94 H ILE 94 1.545 -14.024 9.009 753 HA ILE 94 HA ILE 94 2.391 -14.169 11.805 754 HB ILE 94 HB ILE 94 1.918 -11.712 11.843 755 1HG1 ILE 94 2HG1 ILE 94 1.593 -12.084 8.853 756 2HG1 ILE 94 1HG1 ILE 94 0.311 -11.630 9.975 757 1HG2 ILE 94 1HG2 ILE 94 4.170 -12.554 11.532 758 2HG2 ILE 94 2HG2 ILE 94 3.920 -11.091 10.581 759 3HG2 ILE 94 3HG2 ILE 94 3.907 -12.667 9.791 760 1HD1 ILE 94 1HD1 ILE 94 1.465 -9.548 10.465 761 2HD1 ILE 94 2HD1 ILE 94 1.170 -9.711 8.735 762 3HD1 ILE 94 3HD1 ILE 94 2.781 -10.008 9.385 763 H HIS 95 H HIS 95 0.680 -12.320 12.939 764 HA HIS 95 HA HIS 95 -1.844 -13.831 12.866 765 1HB HIS 95 2HB HIS 95 -0.663 -12.249 15.157 766 2HB HIS 95 1HB HIS 95 -2.178 -13.144 15.196 767 HD1 HIS 95 1HD HIS 95 -1.688 -15.867 14.418 768 HD2 HIS 95 2HD HIS 95 1.329 -13.677 16.267 769 HE1 HIS 95 1HE HIS 95 -0.096 -17.569 15.370 770 HE2 HIS 95 2HE HIS 95 1.786 -16.217 16.370 771 H LYS 96 H LYS 96 -3.813 -12.658 13.277 772 HA LYS 96 HA LYS 96 -4.129 -10.594 11.441 773 1HB LYS 96 2HB LYS 96 -5.920 -11.443 13.708 774 2HB LYS 96 1HB LYS 96 -6.399 -10.320 12.443 775 1HG LYS 96 2HG LYS 96 -6.069 -12.052 10.763 776 2HG LYS 96 1HG LYS 96 -5.568 -13.185 12.022 777 1HD LYS 96 2HD LYS 96 -8.252 -11.819 11.896 778 2HD LYS 96 1HD LYS 96 -7.932 -13.464 11.340 779 1HE LYS 96 2HE LYS 96 -7.397 -14.187 13.545 780 2HE LYS 96 1HE LYS 96 -7.393 -12.531 14.153 781 1HZ LYS 96 1HZ LYS 96 -9.420 -13.805 14.702 782 2HZ LYS 96 2HZ LYS 96 -9.794 -13.888 13.053 783 3HZ LYS 96 3HZ LYS 96 -9.734 -12.383 13.836 784 H LYS 97 H LYS 97 -3.891 -10.392 14.992 785 HA LYS 97 HA LYS 97 -4.509 -7.694 15.300 786 1HB LYS 97 2HB LYS 97 -2.503 -9.325 16.870 787 2HB LYS 97 1HB LYS 97 -3.140 -7.764 17.366 788 1HG LYS 97 2HG LYS 97 -5.413 -8.761 17.392 789 2HG LYS 97 1HG LYS 97 -4.680 -10.331 17.052 790 1HD LYS 97 2HD LYS 97 -4.190 -8.591 19.473 791 2HD LYS 97 1HD LYS 97 -5.067 -10.123 19.434 792 1HE LYS 97 2HE LYS 97 -3.051 -11.308 18.842 793 2HE LYS 97 1HE LYS 97 -2.156 -9.793 18.719 794 1HZ LYS 97 1HZ LYS 97 -3.289 -11.022 21.173 795 2HZ LYS 97 2HZ LYS 97 -2.663 -9.444 21.117 796 3HZ LYS 97 3HZ LYS 97 -1.651 -10.766 20.803 797 H ARG 98 H ARG 98 -1.387 -9.200 14.608 798 HA ARG 98 HA ARG 98 0.059 -6.729 14.594 799 1HB ARG 98 2HB ARG 98 1.051 -8.991 15.076 800 2HB ARG 98 1HB ARG 98 0.857 -9.377 13.373 801 1HG ARG 98 2HG ARG 98 3.076 -8.750 13.531 802 2HG ARG 98 1HG ARG 98 2.290 -7.283 12.950 803 1HD ARG 98 2HD ARG 98 2.653 -7.709 15.883 804 2HD ARG 98 1HD ARG 98 4.018 -7.180 14.909 805 HE ARG 98 HE ARG 98 2.073 -5.420 14.243 806 1HH1 ARG 98 1HH1 ARG 98 3.284 -6.535 17.342 807 2HH1 ARG 98 2HH1 ARG 98 3.114 -4.977 18.108 808 1HH2 ARG 98 1HH2 ARG 98 1.861 -3.362 15.259 809 2HH2 ARG 98 2HH2 ARG 98 2.307 -3.197 16.936 810 H PHE 99 H PHE 99 -1.421 -8.821 12.180 811 HA PHE 99 HA PHE 99 -0.354 -7.596 9.878 812 1HB PHE 99 2HB PHE 99 -1.506 -9.841 9.994 813 2HB PHE 99 1HB PHE 99 -3.036 -8.977 10.092 814 HD1 PHE 99 1HD PHE 99 -3.801 -7.613 8.151 815 HD2 PHE 99 2HD PHE 99 -0.376 -10.126 7.943 816 HE1 PHE 99 1HE PHE 99 -3.887 -7.525 5.694 817 HE2 PHE 99 2HE PHE 99 -0.460 -10.044 5.488 818 HZ PHE 99 HZ PHE 99 -2.216 -8.743 4.361 819 H LYS 100 H LYS 100 -3.469 -7.110 11.550 820 HA LYS 100 HA LYS 100 -4.395 -5.083 9.818 821 1HB LYS 100 2HB LYS 100 -5.148 -5.983 12.573 822 2HB LYS 100 1HB LYS 100 -5.826 -4.492 11.936 823 1HG LYS 100 2HG LYS 100 -6.009 -7.124 10.490 824 2HG LYS 100 1HG LYS 100 -7.226 -6.566 11.641 825 1HD LYS 100 2HD LYS 100 -7.532 -4.526 10.261 826 2HD LYS 100 1HD LYS 100 -6.389 -5.183 9.088 827 1HE LYS 100 2HE LYS 100 -7.845 -7.033 8.614 828 2HE LYS 100 1HE LYS 100 -8.934 -6.571 9.921 829 1HZ LYS 100 1HZ LYS 100 -9.438 -4.523 8.713 830 2HZ LYS 100 2HZ LYS 100 -9.821 -5.887 7.782 831 3HZ LYS 100 3HZ LYS 100 -8.423 -4.996 7.446 832 H ASP 101 H ASP 101 -2.357 -5.005 12.673 833 HA ASP 101 HA ASP 101 -2.343 -2.181 13.001 834 1HB ASP 101 2HB ASP 101 -1.556 -3.632 14.784 835 2HB ASP 101 1HB ASP 101 -0.282 -4.263 13.753 836 H ILE 102 H ILE 102 -0.184 -4.414 11.303 837 HA ILE 102 HA ILE 102 1.511 -2.498 10.146 838 HB ILE 102 HB ILE 102 0.645 -5.179 9.036 839 1HG1 ILE 102 2HG1 ILE 102 3.160 -4.363 10.513 840 2HG1 ILE 102 1HG1 ILE 102 1.815 -5.249 11.220 841 1HG2 ILE 102 1HG2 ILE 102 2.608 -5.048 7.588 842 2HG2 ILE 102 2HG2 ILE 102 2.954 -3.427 8.192 843 3HG2 ILE 102 3HG2 ILE 102 1.489 -3.727 7.257 844 1HD1 ILE 102 1HD1 ILE 102 2.224 -7.106 9.711 845 2HD1 ILE 102 2HD1 ILE 102 3.669 -6.720 10.647 846 3HD1 ILE 102 3HD1 ILE 102 3.548 -6.214 8.961 847 H THR 103 H THR 103 -1.569 -3.852 9.053 848 HA THR 103 HA THR 103 -1.811 -2.458 6.641 849 HB THR 103 HB THR 103 -4.065 -3.180 8.529 850 HG1 THR 103 1HG THR 103 -2.581 -4.944 7.900 851 1HG2 THR 103 1HG2 THR 103 -4.727 -1.690 6.697 852 2HG2 THR 103 2HG2 THR 103 -5.414 -3.300 6.486 853 3HG2 THR 103 3HG2 THR 103 -4.016 -2.804 5.530 854 H GLU 104 H GLU 104 -2.865 -1.576 9.922 855 HA GLU 104 HA GLU 104 -3.879 0.958 9.352 856 1HB GLU 104 2HB GLU 104 -2.796 -0.378 11.784 857 2HB GLU 104 1HB GLU 104 -3.026 1.364 11.833 858 1HG GLU 104 2HG GLU 104 -5.161 -0.643 11.149 859 2HG GLU 104 1HG GLU 104 -4.948 0.127 12.722 860 H SER 105 H SER 105 -0.571 -0.033 10.168 861 HA SER 105 HA SER 105 0.595 2.505 10.265 862 1HB SER 105 2HB SER 105 1.754 0.441 10.962 863 2HB SER 105 1HB SER 105 1.825 -0.088 9.284 864 HG SER 105 HG SER 105 3.380 1.736 10.626 865 H VAL 106 H VAL 106 0.103 0.324 7.514 866 HA VAL 106 HA VAL 106 1.256 2.032 5.573 867 HB VAL 106 HB VAL 106 -0.798 -0.163 5.238 868 1HG1 VAL 106 1HG1 VAL 106 0.908 1.190 3.151 869 2HG1 VAL 106 2HG1 VAL 106 -0.837 1.354 3.328 870 3HG1 VAL 106 3HG1 VAL 106 -0.139 -0.203 2.885 871 1HG2 VAL 106 1HG2 VAL 106 2.196 -0.190 4.864 872 2HG2 VAL 106 2HG2 VAL 106 1.100 -1.537 4.552 873 3HG2 VAL 106 3HG2 VAL 106 1.312 -0.934 6.197 874 H LEU 107 H LEU 107 -2.146 1.430 6.448 875 HA LEU 107 HA LEU 107 -3.243 3.192 4.555 876 1HB LEU 107 2HB LEU 107 -4.351 2.109 7.135 877 2HB LEU 107 1HB LEU 107 -5.291 3.077 6.018 878 HG LEU 107 HG LEU 107 -4.059 0.388 5.399 879 1HD1 LEU 107 1HD1 LEU 107 -6.383 -0.382 5.338 880 2HD1 LEU 107 2HD1 LEU 107 -6.919 1.212 5.874 881 3HD1 LEU 107 3HD1 LEU 107 -5.925 0.212 6.933 882 1HD2 LEU 107 1HD2 LEU 107 -5.344 0.534 3.320 883 2HD2 LEU 107 2HD2 LEU 107 -4.144 1.822 3.436 884 3HD2 LEU 107 3HD2 LEU 107 -5.844 2.171 3.747 885 H TYR 108 H TYR 108 -2.279 3.710 7.922 886 HA TYR 108 HA TYR 108 -3.386 6.286 8.192 887 1HB TYR 108 2HB TYR 108 -2.491 4.855 10.065 888 2HB TYR 108 1HB TYR 108 -0.868 5.281 9.534 889 HD1 TYR 108 1HD TYR 108 0.159 6.949 10.764 890 HD2 TYR 108 2HD TYR 108 -4.068 7.066 10.282 891 HE1 TYR 108 1HE TYR 108 0.061 8.983 12.148 892 HE2 TYR 108 2HE TYR 108 -4.178 9.100 11.657 893 HH TYR 108 HH TYR 108 -2.909 10.250 13.334 894 H THR 109 H THR 109 -0.255 5.144 7.055 895 HA THR 109 HA THR 109 0.888 7.659 6.506 896 HB THR 109 HB THR 109 1.385 4.997 5.148 897 HG1 THR 109 1HG THR 109 1.986 4.669 7.210 898 1HG2 THR 109 1HG2 THR 109 3.110 7.477 5.265 899 2HG2 THR 109 2HG2 THR 109 2.236 6.899 3.847 900 3HG2 THR 109 3HG2 THR 109 3.553 5.939 4.521 901 H LEU 110 H LEU 110 -0.994 5.401 4.505 902 HA LEU 110 HA LEU 110 -0.934 6.889 2.130 903 1HB LEU 110 2HB LEU 110 -3.045 4.987 3.149 904 2HB LEU 110 1HB LEU 110 -2.953 5.589 1.505 905 HG LEU 110 HG LEU 110 -0.859 3.885 2.858 906 1HD1 LEU 110 1HD1 LEU 110 -2.889 2.637 2.401 907 2HD1 LEU 110 2HD1 LEU 110 -1.596 2.145 1.309 908 3HD1 LEU 110 3HD1 LEU 110 -2.880 3.207 0.732 909 1HD2 LEU 110 1HD2 LEU 110 0.091 5.416 1.208 910 2HD2 LEU 110 2HD2 LEU 110 -1.066 4.842 0.007 911 3HD2 LEU 110 3HD2 LEU 110 0.157 3.745 0.648 912 H HIS 111 H HIS 111 -3.139 7.005 4.893 913 HA HIS 111 HA HIS 111 -4.952 8.881 3.817 914 1HB HIS 111 2HB HIS 111 -4.254 7.976 6.576 915 2HB HIS 111 1HB HIS 111 -5.186 9.457 6.399 916 HD1 HIS 111 1HD HIS 111 -7.609 9.100 6.490 917 HD2 HIS 111 2HD HIS 111 -5.625 5.755 5.015 918 HE1 HIS 111 1HE HIS 111 -9.393 7.367 6.110 919 HE2 HIS 111 2HE HIS 111 -8.138 5.284 5.442 920 H ALA 112 H ALA 112 -1.903 9.242 5.535 921 HA ALA 112 HA ALA 112 -2.015 12.053 5.844 922 1HB ALA 112 1HB ALA 112 0.389 11.909 6.265 923 2HB ALA 112 2HB ALA 112 0.396 10.247 5.674 924 3HB ALA 112 3HB ALA 112 -0.495 10.657 7.140 925 H VAL 113 H VAL 113 -0.615 9.964 3.352 926 HA VAL 113 HA VAL 113 0.467 12.031 1.751 927 HB VAL 113 HB VAL 113 -0.496 9.300 0.857 928 1HG1 VAL 113 1HG1 VAL 113 1.105 9.579 -0.975 929 2HG1 VAL 113 2HG1 VAL 113 1.480 11.205 -0.399 930 3HG1 VAL 113 3HG1 VAL 113 -0.136 10.831 -1.003 931 1HG2 VAL 113 1HG2 VAL 113 1.103 9.088 2.669 932 2HG2 VAL 113 2HG2 VAL 113 2.221 10.168 1.837 933 3HG2 VAL 113 3HG2 VAL 113 1.838 8.591 1.145 934 H LYS 114 H LYS 114 -2.556 10.194 1.548 935 HA LYS 114 HA LYS 114 -3.707 11.412 -0.662 936 1HB LYS 114 2HB LYS 114 -4.622 9.412 0.386 937 2HB LYS 114 1HB LYS 114 -5.027 10.325 1.831 938 1HG LYS 114 2HG LYS 114 -6.633 11.648 0.527 939 2HG LYS 114 1HG LYS 114 -6.240 10.693 -0.904 940 1HD LYS 114 2HD LYS 114 -7.021 8.672 0.218 941 2HD LYS 114 1HD LYS 114 -7.375 9.604 1.673 942 1HE LYS 114 2HE LYS 114 -9.410 9.210 0.419 943 2HE LYS 114 1HE LYS 114 -9.013 10.927 0.408 944 1HZ LYS 114 1HZ LYS 114 -9.684 10.259 -1.772 945 2HZ LYS 114 2HZ LYS 114 -8.565 8.983 -1.796 946 3HZ LYS 114 3HZ LYS 114 -8.024 10.586 -1.809 947 H ASP 115 H ASP 115 -3.797 12.382 2.726 948 HA ASP 115 HA ASP 115 -5.618 14.500 2.475 949 1HB ASP 115 2HB ASP 115 -5.009 13.573 4.648 950 2HB ASP 115 1HB ASP 115 -3.355 14.136 4.448 951 H GLU 116 H GLU 116 -2.047 14.568 2.442 952 HA GLU 116 HA GLU 116 -1.923 17.344 1.913 953 1HB GLU 116 2HB GLU 116 0.137 15.159 1.653 954 2HB GLU 116 1HB GLU 116 0.486 16.840 1.267 955 1HG GLU 116 2HG GLU 116 -0.357 17.365 3.624 956 2HG GLU 116 1HG GLU 116 -0.207 15.635 3.924 957 H ILE 117 H ILE 117 -2.041 14.508 -0.195 958 HA ILE 117 HA ILE 117 -1.456 15.841 -2.617 959 HB ILE 117 HB ILE 117 -3.212 13.419 -2.144 960 1HG1 ILE 117 2HG1 ILE 117 -0.375 13.688 -3.176 961 2HG1 ILE 117 1HG1 ILE 117 -0.843 13.097 -1.584 962 1HG2 ILE 117 1HG2 ILE 117 -2.203 14.553 -4.755 963 2HG2 ILE 117 2HG2 ILE 117 -3.881 14.505 -4.213 964 3HG2 ILE 117 3HG2 ILE 117 -3.024 13.004 -4.561 965 1HD1 ILE 117 1HD1 ILE 117 -1.513 11.788 -4.212 966 2HD1 ILE 117 2HD1 ILE 117 -1.963 11.194 -2.613 967 3HD1 ILE 117 3HD1 ILE 117 -0.264 11.271 -3.080 968 H ALA 118 H ALA 118 -4.585 15.132 -1.060 969 HA ALA 118 HA ALA 118 -6.096 16.616 -2.974 970 1HB ALA 118 1HB ALA 118 -7.070 14.797 -1.652 971 2HB ALA 118 2HB ALA 118 -7.969 16.301 -1.454 972 3HB ALA 118 3HB ALA 118 -6.868 15.759 -0.187 973 H ARG 119 H ARG 119 -4.069 17.542 -0.491 974 HA ARG 119 HA ARG 119 -5.462 20.063 0.018 975 1HB ARG 119 2HB ARG 119 -4.410 18.506 1.817 976 2HB ARG 119 1HB ARG 119 -2.884 19.212 1.314 977 1HG ARG 119 2HG ARG 119 -3.643 21.407 1.949 978 2HG ARG 119 1HG ARG 119 -5.259 20.783 2.300 979 1HD ARG 119 2HD ARG 119 -3.837 19.148 3.851 980 2HD ARG 119 1HD ARG 119 -2.744 20.531 3.844 981 HE ARG 119 HE ARG 119 -4.804 21.831 4.581 982 1HH1 ARG 119 1HH1 ARG 119 -4.297 18.445 5.326 983 2HH1 ARG 119 2HH1 ARG 119 -5.195 18.501 6.807 984 1HH2 ARG 119 1HH2 ARG 119 -6.037 21.900 6.511 985 2HH2 ARG 119 2HH2 ARG 119 -6.183 20.463 7.484 986 H GLU 120 H GLU 120 -3.160 18.761 -2.026 987 HA GLU 120 HA GLU 120 -1.315 20.867 -2.301 988 1HB GLU 120 2HB GLU 120 -2.085 18.489 -3.848 989 2HB GLU 120 1HB GLU 120 -1.363 19.785 -4.787 990 1HG GLU 120 2HG GLU 120 -0.139 18.509 -2.352 991 2HG GLU 120 1HG GLU 120 0.283 18.138 -4.026 992 H ASP 121 H ASP 121 -4.045 20.050 -4.455 993 HA ASP 121 HA ASP 121 -4.269 22.919 -5.091 994 1HB ASP 121 2HB ASP 121 -3.220 21.604 -6.955 995 2HB ASP 121 1HB ASP 121 -4.699 20.656 -7.062 996 H SER 122 H SER 122 -6.447 23.541 -5.877 997 HA SER 122 HA SER 122 -8.529 21.834 -4.684 998 1HB SER 122 2HB SER 122 -8.334 24.841 -4.368 999 2HB SER 122 1HB SER 122 -9.552 23.782 -3.655 1000 HG SER 122 HG SER 122 -7.325 22.740 -2.889 1001 H ARG 123 H ARG 123 -10.718 22.364 -5.412 1002 HA ARG 123 HA ARG 123 -10.787 22.785 -8.255 1003 1HB ARG 123 2HB ARG 123 -12.256 21.135 -7.184 1004 2HB ARG 123 1HB ARG 123 -13.034 22.416 -6.263 1005 1HG ARG 123 2HG ARG 123 -13.758 23.436 -8.408 1006 2HG ARG 123 1HG ARG 123 -13.102 22.029 -9.242 1007 1HD ARG 123 2HD ARG 123 -14.634 20.580 -8.015 1008 2HD ARG 123 1HD ARG 123 -15.284 21.982 -7.163 1009 HE ARG 123 HE ARG 123 -15.421 22.243 -10.018 1010 1HH1 ARG 123 1HH1 ARG 123 -17.024 20.928 -7.192 1011 2HH1 ARG 123 2HH1 ARG 123 -18.591 20.884 -7.935 1012 1HH2 ARG 123 1HH2 ARG 123 -17.486 22.186 -11.011 1013 2HH2 ARG 123 2HH2 ARG 123 -18.860 21.590 -10.112 Start of MODEL 15 1 1H MET 1 1HT MET 1 5.726 10.411 -19.797 2 2H MET 1 2HT MET 1 4.559 9.196 -19.952 3 3H MET 1 3HT MET 1 5.791 9.038 -18.802 4 HA MET 1 HA MET 1 3.678 9.651 -17.805 5 1HB MET 1 2HB MET 1 4.508 11.455 -16.418 6 2HB MET 1 1HB MET 1 5.818 10.335 -16.759 7 1HG MET 1 2HG MET 1 5.382 12.930 -18.224 8 2HG MET 1 1HG MET 1 6.459 12.736 -16.842 9 1HE MET 1 1HE MET 1 7.813 9.904 -17.327 10 2HE MET 1 2HE MET 1 8.658 11.375 -16.851 11 3HE MET 1 3HE MET 1 9.249 10.418 -18.212 12 H LEU 2 H LEU 2 1.831 10.768 -17.912 13 HA LEU 2 HA LEU 2 1.741 13.245 -19.463 14 1HB LEU 2 2HB LEU 2 1.132 11.357 -20.975 15 2HB LEU 2 1HB LEU 2 -0.191 10.963 -19.897 16 HG LEU 2 HG LEU 2 -1.165 13.216 -20.353 17 1HD1 LEU 2 1HD1 LEU 2 0.877 14.364 -21.015 18 2HD1 LEU 2 2HD1 LEU 2 -0.349 14.472 -22.279 19 3HD1 LEU 2 3HD1 LEU 2 0.997 13.343 -22.448 20 1HD2 LEU 2 1HD2 LEU 2 -1.975 12.656 -22.596 21 2HD2 LEU 2 2HD2 LEU 2 -1.967 11.250 -21.532 22 3HD2 LEU 2 3HD2 LEU 2 -0.704 11.443 -22.747 23 H SER 3 H SER 3 1.754 13.662 -17.014 24 HA SER 3 HA SER 3 0.699 14.422 -15.159 25 1HB SER 3 2HB SER 3 -1.524 14.821 -17.167 26 2HB SER 3 1HB SER 3 -1.548 15.467 -15.526 27 HG SER 3 HG SER 3 -0.464 17.072 -16.297 28 H GLN 4 H GLN 4 0.817 11.846 -14.873 29 HA GLN 4 HA GLN 4 -1.739 10.580 -14.602 30 1HB GLN 4 2HB GLN 4 -0.457 8.793 -13.419 31 2HB GLN 4 1HB GLN 4 0.154 9.166 -15.024 32 1HG GLN 4 2HG GLN 4 1.939 10.500 -14.039 33 2HG GLN 4 1HG GLN 4 1.321 10.135 -12.428 34 1HE2 GLN 4 1HE2 GLN 4 2.883 8.846 -15.258 35 2HE2 GLN 4 2HE2 GLN 4 3.483 7.408 -14.511 36 H THR 5 H THR 5 -3.039 10.478 -12.879 37 HA THR 5 HA THR 5 -2.671 12.404 -10.815 38 HB THR 5 HB THR 5 -4.763 10.224 -10.868 39 HG1 THR 5 1HG THR 5 -6.017 11.980 -11.947 40 1HG2 THR 5 1HG2 THR 5 -4.647 11.490 -8.792 41 2HG2 THR 5 2HG2 THR 5 -6.107 11.926 -9.683 42 3HG2 THR 5 3HG2 THR 5 -4.713 13.008 -9.690 43 H LEU 6 H LEU 6 -1.248 12.074 -9.254 44 HA LEU 6 HA LEU 6 -0.293 9.620 -8.305 45 1HB LEU 6 2HB LEU 6 0.852 11.767 -7.965 46 2HB LEU 6 1HB LEU 6 -0.433 12.294 -6.897 47 HG LEU 6 HG LEU 6 0.183 10.487 -5.310 48 1HD1 LEU 6 1HD1 LEU 6 2.497 10.064 -7.192 49 2HD1 LEU 6 2HD1 LEU 6 1.176 8.933 -6.901 50 3HD1 LEU 6 3HD1 LEU 6 2.305 9.321 -5.603 51 1HD2 LEU 6 1HD2 LEU 6 1.062 12.736 -5.017 52 2HD2 LEU 6 2HD2 LEU 6 2.418 12.358 -6.078 53 3HD2 LEU 6 3HD2 LEU 6 2.254 11.532 -4.529 54 H LEU 7 H LEU 7 -2.991 11.628 -7.321 55 HA LEU 7 HA LEU 7 -3.750 10.371 -4.965 56 1HB LEU 7 2HB LEU 7 -4.744 12.449 -5.823 57 2HB LEU 7 1HB LEU 7 -5.520 11.547 -7.110 58 HG LEU 7 HG LEU 7 -6.825 10.301 -5.405 59 1HD1 LEU 7 1HD1 LEU 7 -5.299 10.538 -3.527 60 2HD1 LEU 7 2HD1 LEU 7 -6.900 11.153 -3.119 61 3HD1 LEU 7 3HD1 LEU 7 -5.593 12.277 -3.492 62 1HD2 LEU 7 1HD2 LEU 7 -8.325 12.164 -4.832 63 2HD2 LEU 7 2HD2 LEU 7 -7.813 12.212 -6.519 64 3HD2 LEU 7 3HD2 LEU 7 -7.081 13.306 -5.344 65 H GLU 8 H GLU 8 -4.615 9.542 -8.315 66 HA GLU 8 HA GLU 8 -6.429 7.489 -7.683 67 1HB GLU 8 2HB GLU 8 -4.783 8.007 -10.159 68 2HB GLU 8 1HB GLU 8 -6.011 6.759 -10.051 69 1HG GLU 8 2HG GLU 8 -6.461 9.712 -9.719 70 2HG GLU 8 1HG GLU 8 -6.867 8.751 -11.142 71 H MET 9 H MET 9 -2.939 7.457 -8.233 72 HA MET 9 HA MET 9 -2.716 4.618 -8.190 73 1HB MET 9 2HB MET 9 -0.986 6.057 -9.195 74 2HB MET 9 1HB MET 9 -0.609 6.707 -7.605 75 1HG MET 9 2HG MET 9 0.232 4.616 -6.856 76 2HG MET 9 1HG MET 9 -0.380 3.790 -8.287 77 1HE MET 9 1HE MET 9 1.379 7.325 -8.303 78 2HE MET 9 2HE MET 9 3.075 6.855 -8.424 79 3HE MET 9 3HE MET 9 2.157 6.474 -6.969 80 H THR 10 H THR 10 -2.517 7.147 -5.759 81 HA THR 10 HA THR 10 -1.812 5.520 -3.566 82 HB THR 10 HB THR 10 -3.532 8.013 -3.502 83 HG1 THR 10 1HG THR 10 -1.571 8.449 -4.577 84 1HG2 THR 10 1HG2 THR 10 -1.745 6.748 -1.418 85 2HG2 THR 10 2HG2 THR 10 -3.507 6.801 -1.387 86 3HG2 THR 10 3HG2 THR 10 -2.578 8.292 -1.247 87 H GLU 11 H GLU 11 -4.939 6.528 -4.892 88 HA GLU 11 HA GLU 11 -6.698 5.313 -3.150 89 1HB GLU 11 2HB GLU 11 -6.806 5.788 -6.118 90 2HB GLU 11 1HB GLU 11 -8.154 5.063 -5.258 91 1HG GLU 11 2HG GLU 11 -6.969 7.708 -4.481 92 2HG GLU 11 1HG GLU 11 -8.275 7.546 -5.655 93 H GLN 12 H GLN 12 -5.271 3.899 -6.080 94 HA GLN 12 HA GLN 12 -6.428 1.364 -5.843 95 1HB GLN 12 2HB GLN 12 -5.372 2.105 -7.902 96 2HB GLN 12 1HB GLN 12 -3.808 2.187 -7.103 97 1HG GLN 12 2HG GLN 12 -3.809 -0.219 -6.796 98 2HG GLN 12 1HG GLN 12 -5.411 -0.327 -7.523 99 1HE2 GLN 12 1HE2 GLN 12 -4.651 -1.724 -9.113 100 2HE2 GLN 12 2HE2 GLN 12 -3.694 -1.157 -10.440 101 H MET 13 H MET 13 -3.368 2.634 -4.600 102 HA MET 13 HA MET 13 -2.404 0.196 -3.552 103 1HB MET 13 2HB MET 13 -1.080 2.314 -3.962 104 2HB MET 13 1HB MET 13 -1.792 2.957 -2.489 105 1HG MET 13 2HG MET 13 -0.780 1.175 -1.193 106 2HG MET 13 1HG MET 13 -0.116 0.466 -2.663 107 1HE MET 13 1HE MET 13 2.386 0.454 -1.980 108 2HE MET 13 2HE MET 13 1.835 0.908 -0.366 109 3HE MET 13 3HE MET 13 3.168 1.783 -1.120 110 H ILE 14 H ILE 14 -4.411 2.762 -2.186 111 HA ILE 14 HA ILE 14 -4.551 1.810 0.455 112 HB ILE 14 HB ILE 14 -6.641 3.313 -1.139 113 1HG1 ILE 14 2HG1 ILE 14 -4.593 4.286 0.869 114 2HG1 ILE 14 1HG1 ILE 14 -4.506 4.515 -0.876 115 1HG2 ILE 14 1HG2 ILE 14 -7.658 2.161 0.756 116 2HG2 ILE 14 2HG2 ILE 14 -7.644 3.908 1.006 117 3HG2 ILE 14 3HG2 ILE 14 -6.471 2.888 1.839 118 1HD1 ILE 14 1HD1 ILE 14 -6.630 5.635 0.942 119 2HD1 ILE 14 2HD1 ILE 14 -6.523 5.878 -0.801 120 3HD1 ILE 14 3HD1 ILE 14 -5.272 6.529 0.259 121 H GLU 15 H GLU 15 -6.555 1.132 -2.377 122 HA GLU 15 HA GLU 15 -8.455 -0.485 -1.105 123 1HB GLU 15 2HB GLU 15 -8.709 0.496 -3.367 124 2HB GLU 15 1HB GLU 15 -7.522 -0.652 -3.972 125 1HG GLU 15 2HG GLU 15 -8.973 -2.500 -3.377 126 2HG GLU 15 1HG GLU 15 -10.158 -1.376 -2.716 127 H VAL 16 H VAL 16 -5.348 -1.290 -2.596 128 HA VAL 16 HA VAL 16 -5.619 -4.094 -2.396 129 HB VAL 16 HB VAL 16 -3.056 -2.480 -2.378 130 1HG1 VAL 16 1HG1 VAL 16 -2.701 -4.761 -1.608 131 2HG1 VAL 16 2HG1 VAL 16 -2.033 -4.557 -3.228 132 3HG1 VAL 16 3HG1 VAL 16 -3.572 -5.388 -3.008 133 1HG2 VAL 16 1HG2 VAL 16 -4.621 -3.684 -4.657 134 2HG2 VAL 16 2HG2 VAL 16 -3.010 -2.983 -4.798 135 3HG2 VAL 16 3HG2 VAL 16 -4.377 -1.967 -4.340 136 H ALA 17 H ALA 17 -4.300 -1.674 -0.167 137 HA ALA 17 HA ALA 17 -3.411 -3.492 1.797 138 1HB ALA 17 1HB ALA 17 -2.734 -1.132 1.751 139 2HB ALA 17 2HB ALA 17 -3.400 -1.594 3.316 140 3HB ALA 17 3HB ALA 17 -4.377 -0.660 2.184 141 H GLU 18 H GLU 18 -6.487 -1.766 1.394 142 HA GLU 18 HA GLU 18 -7.855 -2.748 3.606 143 1HB GLU 18 2HB GLU 18 -8.803 -1.978 0.850 144 2HB GLU 18 1HB GLU 18 -9.881 -2.311 2.187 145 1HG GLU 18 2HG GLU 18 -7.750 -0.258 2.499 146 2HG GLU 18 1HG GLU 18 -9.215 0.126 1.603 147 H LYS 19 H LYS 19 -7.657 -4.024 0.293 148 HA LYS 19 HA LYS 19 -9.293 -6.284 0.819 149 1HB LYS 19 2HB LYS 19 -7.640 -5.350 -1.464 150 2HB LYS 19 1HB LYS 19 -8.054 -7.059 -1.408 151 1HG LYS 19 2HG LYS 19 -10.048 -4.802 -1.283 152 2HG LYS 19 1HG LYS 19 -9.654 -5.736 -2.731 153 1HD LYS 19 2HD LYS 19 -10.396 -7.781 -1.619 154 2HD LYS 19 1HD LYS 19 -10.768 -6.864 -0.160 155 1HE LYS 19 2HE LYS 19 -12.064 -6.439 -2.850 156 2HE LYS 19 1HE LYS 19 -12.760 -7.379 -1.531 157 1HZ LYS 19 1HZ LYS 19 -13.713 -5.238 -1.429 158 2HZ LYS 19 2HZ LYS 19 -12.215 -4.465 -1.588 159 3HZ LYS 19 3HZ LYS 19 -12.590 -5.304 -0.160 160 H GLY 20 H GLY 20 -5.885 -5.692 1.204 161 1HA GLY 20 2HA GLY 20 -5.033 -8.377 1.399 162 2HA GLY 20 1HA GLY 20 -4.264 -7.008 2.184 163 H ALA 21 H ALA 21 -6.162 -6.116 3.897 164 HA ALA 21 HA ALA 21 -6.146 -8.020 6.009 165 1HB ALA 21 1HB ALA 21 -7.483 -6.388 7.235 166 2HB ALA 21 2HB ALA 21 -7.768 -5.485 5.747 167 3HB ALA 21 3HB ALA 21 -6.138 -5.601 6.411 168 H ASP 22 H ASP 22 -8.560 -6.920 3.707 169 HA ASP 22 HA ASP 22 -10.789 -8.369 4.571 170 1HB ASP 22 2HB ASP 22 -10.940 -6.689 2.827 171 2HB ASP 22 1HB ASP 22 -9.897 -7.638 1.778 172 H ARG 23 H ARG 23 -8.101 -9.311 2.500 173 HA ARG 23 HA ARG 23 -9.089 -11.826 1.729 174 1HB ARG 23 2HB ARG 23 -6.951 -10.315 1.033 175 2HB ARG 23 1HB ARG 23 -6.157 -11.539 2.012 176 1HG ARG 23 2HG ARG 23 -6.044 -12.491 -0.066 177 2HG ARG 23 1HG ARG 23 -7.547 -13.191 0.537 178 1HD ARG 23 2HD ARG 23 -7.235 -10.862 -1.355 179 2HD ARG 23 1HD ARG 23 -7.904 -12.449 -1.719 180 HE ARG 23 HE ARG 23 -9.268 -10.790 0.272 181 1HH1 ARG 23 1HH1 ARG 23 -9.205 -12.195 -2.929 182 2HH1 ARG 23 2HH1 ARG 23 -10.866 -11.830 -3.272 183 1HH2 ARG 23 1HH2 ARG 23 -11.466 -10.298 -0.150 184 2HH2 ARG 23 2HH2 ARG 23 -12.149 -10.754 -1.687 185 H TYR 24 H TYR 24 -7.217 -10.764 4.506 186 HA TYR 24 HA TYR 24 -6.804 -13.362 5.613 187 1HB TYR 24 2HB TYR 24 -5.337 -11.627 6.320 188 2HB TYR 24 1HB TYR 24 -6.672 -10.564 6.739 189 HD1 TYR 24 1HD TYR 24 -7.532 -10.520 8.914 190 HD2 TYR 24 2HD TYR 24 -4.976 -13.719 7.753 191 HE1 TYR 24 1HE TYR 24 -7.430 -11.279 11.247 192 HE2 TYR 24 2HE TYR 24 -4.871 -14.486 10.089 193 HH TYR 24 HH TYR 24 -5.190 -13.553 12.356 194 H GLN 25 H GLN 25 -9.265 -10.882 5.928 195 HA GLN 25 HA GLN 25 -10.743 -11.986 8.051 196 1HB GLN 25 2HB GLN 25 -11.036 -9.683 7.298 197 2HB GLN 25 1HB GLN 25 -11.625 -10.241 5.741 198 1HG GLN 25 2HG GLN 25 -13.556 -11.270 6.890 199 2HG GLN 25 1HG GLN 25 -12.977 -10.583 8.408 200 1HE2 GLN 25 1HE2 GLN 25 -15.470 -10.120 6.985 201 2HE2 GLN 25 2HE2 GLN 25 -15.550 -8.413 6.701 202 H GLU 26 H GLU 26 -11.060 -12.309 4.547 203 HA GLU 26 HA GLU 26 -13.334 -13.993 4.583 204 1HB GLU 26 2HB GLU 26 -11.242 -13.407 2.493 205 2HB GLU 26 1HB GLU 26 -12.616 -14.464 2.190 206 1HG GLU 26 2HG GLU 26 -12.922 -11.637 3.146 207 2HG GLU 26 1HG GLU 26 -12.844 -12.070 1.438 208 H GLY 27 H GLY 27 -9.939 -14.784 3.777 209 1HA GLY 27 2HA GLY 27 -8.766 -16.747 4.203 210 2HA GLY 27 1HA GLY 27 -10.174 -17.367 5.053 211 H LYS 28 H LYS 28 -12.129 -17.669 3.430 212 HA LYS 28 HA LYS 28 -11.065 -19.119 1.097 213 1HB LYS 28 2HB LYS 28 -13.088 -19.862 3.112 214 2HB LYS 28 1HB LYS 28 -13.502 -20.248 1.445 215 1HG LYS 28 2HG LYS 28 -11.391 -21.459 1.209 216 2HG LYS 28 1HG LYS 28 -11.000 -21.089 2.888 217 1HD LYS 28 2HD LYS 28 -12.859 -22.384 3.669 218 2HD LYS 28 1HD LYS 28 -13.449 -22.614 2.022 219 1HE LYS 28 2HE LYS 28 -12.234 -24.580 2.981 220 2HE LYS 28 1HE LYS 28 -11.576 -23.977 1.459 221 1HZ LYS 28 1HZ LYS 28 -9.801 -22.935 2.597 222 2HZ LYS 28 2HZ LYS 28 -9.900 -24.510 3.218 223 3HZ LYS 28 3HZ LYS 28 -10.504 -23.201 4.114 224 H ASN 29 H ASN 29 -11.435 -16.546 0.666 225 HA ASN 29 HA ASN 29 -14.025 -15.833 -0.250 226 1HB ASN 29 2HB ASN 29 -12.331 -14.150 0.306 227 2HB ASN 29 1HB ASN 29 -11.315 -14.724 -1.010 228 1HD2 ASN 29 1HD2 ASN 29 -14.249 -13.035 -0.173 229 2HD2 ASN 29 2HD2 ASN 29 -14.479 -12.281 -1.723 230 H SER 30 H SER 30 -11.221 -17.322 -1.757 231 HA SER 30 HA SER 30 -12.863 -18.335 -3.898 232 1HB SER 30 2HB SER 30 -11.287 -17.432 -5.658 233 2HB SER 30 1HB SER 30 -12.299 -16.214 -4.883 234 HG SER 30 HG SER 30 -9.559 -16.766 -4.432 235 H ASN 31 H ASN 31 -12.147 -20.318 -4.514 236 HA ASN 31 HA ASN 31 -9.641 -21.230 -3.330 237 1HB ASN 31 2HB ASN 31 -10.384 -23.504 -4.019 238 2HB ASN 31 1HB ASN 31 -11.492 -22.694 -2.923 239 1HD2 ASN 31 1HD2 ASN 31 -13.262 -23.816 -3.465 240 2HD2 ASN 31 2HD2 ASN 31 -14.028 -23.745 -5.018 241 H HIS 32 H HIS 32 -10.839 -20.138 -6.295 242 HA HIS 32 HA HIS 32 -8.462 -21.093 -7.707 243 1HB HIS 32 2HB HIS 32 -10.944 -19.627 -8.567 244 2HB HIS 32 1HB HIS 32 -9.492 -19.557 -9.561 245 HD1 HIS 32 1HD HIS 32 -9.562 -21.191 -11.380 246 HD2 HIS 32 2HD HIS 32 -11.476 -22.617 -7.974 247 HE1 HIS 32 1HE HIS 32 -10.436 -23.469 -11.994 248 HE2 HIS 32 2HE HIS 32 -11.410 -24.387 -9.857 249 H SER 33 H SER 33 -7.134 -19.388 -8.828 250 HA SER 33 HA SER 33 -5.822 -17.542 -8.779 251 1HB SER 33 2HB SER 33 -7.889 -16.321 -6.929 252 2HB SER 33 1HB SER 33 -6.591 -15.456 -7.756 253 HG SER 33 HG SER 33 -8.179 -16.994 -9.394 254 H TYR 34 H TYR 34 -7.154 -18.215 -5.527 255 HA TYR 34 HA TYR 34 -4.536 -17.883 -4.347 256 1HB TYR 34 2HB TYR 34 -6.460 -17.267 -2.991 257 2HB TYR 34 1HB TYR 34 -7.143 -18.880 -3.163 258 HD1 TYR 34 1HD TYR 34 -6.929 -20.260 -1.331 259 HD2 TYR 34 2HD TYR 34 -3.907 -17.351 -2.052 260 HE1 TYR 34 1HE TYR 34 -5.734 -21.011 0.681 261 HE2 TYR 34 2HE TYR 34 -2.702 -18.098 -0.042 262 HH TYR 34 HH TYR 34 -3.420 -21.005 1.538 263 H ASP 35 H ASP 35 -3.615 -19.421 -5.885 264 HA ASP 35 HA ASP 35 -3.348 -22.006 -4.606 265 1HB ASP 35 2HB ASP 35 -5.189 -22.267 -6.338 266 2HB ASP 35 1HB ASP 35 -3.984 -21.894 -7.567 267 H PHE 36 H PHE 36 -1.545 -20.287 -4.338 268 HA PHE 36 HA PHE 36 0.609 -19.710 -4.593 269 1HB PHE 36 2HB PHE 36 0.920 -22.174 -4.641 270 2HB PHE 36 1HB PHE 36 0.819 -22.125 -6.400 271 HD1 PHE 36 1HD PHE 36 2.736 -20.704 -3.549 272 HD2 PHE 36 2HD PHE 36 2.757 -21.844 -7.652 273 HE1 PHE 36 1HE PHE 36 5.153 -20.255 -3.659 274 HE2 PHE 36 2HE PHE 36 5.173 -21.393 -7.767 275 HZ PHE 36 HZ PHE 36 6.373 -20.599 -5.769 276 H PHE 37 H PHE 37 0.227 -21.042 -7.871 277 HA PHE 37 HA PHE 37 1.874 -19.061 -8.970 278 1HB PHE 37 2HB PHE 37 1.543 -21.293 -9.965 279 2HB PHE 37 1HB PHE 37 -0.101 -20.843 -10.406 280 HD1 PHE 37 1HD PHE 37 3.460 -20.017 -10.981 281 HD2 PHE 37 2HD PHE 37 -0.538 -19.704 -12.407 282 HE1 PHE 37 1HE PHE 37 4.295 -19.119 -13.110 283 HE2 PHE 37 2HE PHE 37 0.290 -18.799 -14.539 284 HZ PHE 37 HZ PHE 37 2.711 -18.507 -14.892 285 H GLU 38 H GLU 38 -1.681 -19.322 -9.036 286 HA GLU 38 HA GLU 38 -2.060 -17.259 -10.913 287 1HB GLU 38 2HB GLU 38 -3.949 -18.339 -8.827 288 2HB GLU 38 1HB GLU 38 -4.413 -17.197 -10.078 289 1HG GLU 38 2HG GLU 38 -3.605 -18.920 -11.749 290 2HG GLU 38 1HG GLU 38 -3.541 -20.046 -10.393 291 H THR 39 H THR 39 -1.531 -17.123 -7.468 292 HA THR 39 HA THR 39 -2.205 -14.267 -7.541 293 HB THR 39 HB THR 39 -3.461 -15.440 -5.839 294 HG1 THR 39 1HG THR 39 -1.489 -13.593 -5.083 295 1HG2 THR 39 1HG2 THR 39 -0.791 -16.248 -4.679 296 2HG2 THR 39 2HG2 THR 39 -1.974 -17.325 -5.423 297 3HG2 THR 39 3HG2 THR 39 -2.362 -16.499 -3.915 298 H ILE 40 H ILE 40 0.352 -16.538 -6.637 299 HA ILE 40 HA ILE 40 2.106 -14.323 -5.919 300 HB ILE 40 HB ILE 40 2.738 -17.285 -5.890 301 1HG1 ILE 40 2HG1 ILE 40 0.877 -16.785 -4.372 302 2HG1 ILE 40 1HG1 ILE 40 2.332 -17.172 -3.462 303 1HG2 ILE 40 1HG2 ILE 40 4.719 -15.886 -5.964 304 2HG2 ILE 40 2HG2 ILE 40 4.557 -16.619 -4.367 305 3HG2 ILE 40 3HG2 ILE 40 4.120 -14.927 -4.610 306 1HD1 ILE 40 1HD1 ILE 40 1.283 -14.401 -3.981 307 2HD1 ILE 40 2HD1 ILE 40 2.711 -14.810 -3.031 308 3HD1 ILE 40 3HD1 ILE 40 1.110 -15.306 -2.479 309 H LYS 41 H LYS 41 1.670 -13.746 -8.266 310 HA LYS 41 HA LYS 41 4.150 -13.944 -9.558 311 1HB LYS 41 2HB LYS 41 3.604 -16.035 -10.440 312 2HB LYS 41 1HB LYS 41 1.930 -15.609 -10.720 313 1HG LYS 41 2HG LYS 41 3.194 -15.822 -12.796 314 2HG LYS 41 1HG LYS 41 2.574 -14.187 -12.572 315 1HD LYS 41 2HD LYS 41 4.769 -13.446 -11.804 316 2HD LYS 41 1HD LYS 41 5.394 -15.088 -11.973 317 1HE LYS 41 2HE LYS 41 5.082 -15.033 -14.341 318 2HE LYS 41 1HE LYS 41 4.224 -13.496 -14.244 319 1HZ LYS 41 1HZ LYS 41 7.037 -13.791 -13.370 320 2HZ LYS 41 2HZ LYS 41 6.182 -12.362 -13.710 321 3HZ LYS 41 3HZ LYS 41 6.615 -13.414 -14.968 322 HA PRO 42 HA PRO 42 1.405 -10.989 -12.104 323 1HB PRO 42 2HB PRO 42 -1.348 -11.159 -11.178 324 2HB PRO 42 1HB PRO 42 -0.714 -11.379 -12.810 325 1HG PRO 42 2HG PRO 42 -1.748 -13.418 -11.349 326 2HG PRO 42 1HG PRO 42 -0.463 -13.645 -12.549 327 1HD PRO 42 2HD PRO 42 -0.256 -13.438 -9.566 328 2HD PRO 42 1HD PRO 42 0.565 -14.549 -10.676 329 H ALA 43 H ALA 43 -0.152 -11.478 -8.945 330 HA ALA 43 HA ALA 43 -0.543 -8.754 -8.361 331 1HB ALA 43 1HB ALA 43 -1.763 -10.546 -7.231 332 2HB ALA 43 2HB ALA 43 -0.950 -9.496 -6.070 333 3HB ALA 43 3HB ALA 43 -0.273 -11.078 -6.456 334 H VAL 44 H VAL 44 2.201 -10.866 -7.958 335 HA VAL 44 HA VAL 44 3.614 -9.363 -6.043 336 HB VAL 44 HB VAL 44 4.742 -11.164 -8.194 337 1HG1 VAL 44 1HG1 VAL 44 6.677 -11.383 -6.696 338 2HG1 VAL 44 2HG1 VAL 44 5.962 -10.193 -5.609 339 3HG1 VAL 44 3HG1 VAL 44 6.452 -9.720 -7.236 340 1HG2 VAL 44 1HG2 VAL 44 3.950 -11.780 -5.350 341 2HG2 VAL 44 2HG2 VAL 44 4.747 -12.893 -6.463 342 3HG2 VAL 44 3HG2 VAL 44 3.114 -12.323 -6.806 343 H GLU 45 H GLU 45 3.967 -9.471 -9.599 344 HA GLU 45 HA GLU 45 5.908 -7.463 -9.760 345 1HB GLU 45 2HB GLU 45 3.900 -8.452 -11.777 346 2HB GLU 45 1HB GLU 45 5.175 -7.306 -12.156 347 1HG GLU 45 2HG GLU 45 6.848 -8.964 -11.449 348 2HG GLU 45 1HG GLU 45 5.548 -10.116 -11.156 349 H GLU 46 H GLU 46 2.371 -7.281 -10.060 350 HA GLU 46 HA GLU 46 2.121 -4.626 -10.749 351 1HB GLU 46 2HB GLU 46 0.361 -6.439 -9.118 352 2HB GLU 46 1HB GLU 46 -0.112 -4.836 -9.608 353 1HG GLU 46 2HG GLU 46 0.606 -7.074 -11.471 354 2HG GLU 46 1HG GLU 46 -1.030 -6.541 -11.085 355 H ASN 47 H ASN 47 2.035 -6.044 -7.475 356 HA ASN 47 HA ASN 47 1.846 -3.520 -6.189 357 1HB ASN 47 2HB ASN 47 2.471 -6.286 -5.177 358 2HB ASN 47 1HB ASN 47 2.499 -4.882 -4.112 359 1HD2 ASN 47 1HD2 ASN 47 0.520 -7.035 -5.964 360 2HD2 ASN 47 2HD2 ASN 47 -1.001 -6.491 -5.343 361 H ASP 48 H ASP 48 4.566 -5.635 -6.963 362 HA ASP 48 HA ASP 48 6.603 -4.337 -5.593 363 1HB ASP 48 2HB ASP 48 6.990 -6.424 -6.776 364 2HB ASP 48 1HB ASP 48 6.668 -5.645 -8.321 365 H GLU 49 H GLU 49 5.473 -3.714 -8.915 366 HA GLU 49 HA GLU 49 7.081 -1.383 -9.225 367 1HB GLU 49 2HB GLU 49 4.672 -2.346 -10.774 368 2HB GLU 49 1HB GLU 49 5.676 -0.981 -11.244 369 1HG GLU 49 2HG GLU 49 7.614 -2.496 -11.382 370 2HG GLU 49 1HG GLU 49 6.547 -3.849 -11.009 371 H LEU 50 H LEU 50 3.859 -1.983 -8.024 372 HA LEU 50 HA LEU 50 2.824 0.636 -8.196 373 1HB LEU 50 2HB LEU 50 1.666 -1.619 -7.593 374 2HB LEU 50 1HB LEU 50 2.154 -1.248 -5.954 375 HG LEU 50 HG LEU 50 0.905 0.935 -6.186 376 1HD1 LEU 50 1HD1 LEU 50 -0.124 -0.442 -8.661 377 2HD1 LEU 50 2HD1 LEU 50 0.810 1.055 -8.600 378 3HD1 LEU 50 3HD1 LEU 50 -0.825 1.005 -7.939 379 1HD2 LEU 50 1HD2 LEU 50 -0.005 -0.951 -4.944 380 2HD2 LEU 50 2HD2 LEU 50 -0.653 -1.636 -6.433 381 3HD2 LEU 50 3HD2 LEU 50 -1.285 -0.109 -5.816 382 H ALA 51 H ALA 51 4.368 -1.081 -5.494 383 HA ALA 51 HA ALA 51 4.411 1.079 -3.701 384 1HB ALA 51 1HB ALA 51 6.298 -1.269 -3.861 385 2HB ALA 51 2HB ALA 51 4.761 -1.232 -2.994 386 3HB ALA 51 3HB ALA 51 6.094 -0.200 -2.476 387 H ALA 52 H ALA 52 6.705 0.017 -6.157 388 HA ALA 52 HA ALA 52 8.762 1.842 -5.576 389 1HB ALA 52 1HB ALA 52 8.005 0.620 -8.227 390 2HB ALA 52 2HB ALA 52 9.096 -0.081 -7.032 391 3HB ALA 52 3HB ALA 52 9.536 1.414 -7.859 392 H ARG 53 H ARG 53 6.101 2.035 -7.933 393 HA ARG 53 HA ARG 53 6.636 4.569 -8.942 394 1HB ARG 53 2HB ARG 53 4.203 2.836 -8.709 395 2HB ARG 53 1HB ARG 53 4.079 4.442 -9.373 396 1HG ARG 53 2HG ARG 53 5.907 2.315 -10.441 397 2HG ARG 53 1HG ARG 53 4.295 2.652 -11.070 398 1HD ARG 53 2HD ARG 53 5.111 5.043 -11.418 399 2HD ARG 53 1HD ARG 53 6.734 4.411 -11.138 400 HE ARG 53 HE ARG 53 5.447 2.839 -13.086 401 1HH1 ARG 53 1HH1 ARG 53 6.929 5.995 -12.688 402 2HH1 ARG 53 2HH1 ARG 53 7.236 6.197 -14.388 403 1HH2 ARG 53 1HH2 ARG 53 5.842 3.115 -15.325 404 2HH2 ARG 53 2HH2 ARG 53 6.619 4.568 -15.883 405 H TRP 54 H TRP 54 4.534 3.547 -6.255 406 HA TRP 54 HA TRP 54 3.535 6.102 -5.639 407 1HB TRP 54 2HB TRP 54 2.518 4.041 -4.773 408 2HB TRP 54 1HB TRP 54 3.953 3.738 -3.796 409 HD1 TRP 54 HD TRP 54 1.048 6.268 -4.069 410 HE1 TRP 54 1HE TRP 54 0.660 7.306 -1.748 411 HE3 TRP 54 3HE TRP 54 4.953 4.129 -1.564 412 HZ2 TRP 54 2HZ TRP 54 1.857 7.234 0.811 413 HZ3 TRP 54 3HZ TRP 54 5.265 4.664 0.817 414 HH2 TRP 54 HH TRP 54 3.748 6.185 1.980 415 H ALA 55 H ALA 55 6.306 4.302 -4.341 416 HA ALA 55 HA ALA 55 7.186 6.206 -2.491 417 1HB ALA 55 1HB ALA 55 9.376 5.115 -2.660 418 2HB ALA 55 2HB ALA 55 8.834 4.254 -4.101 419 3HB ALA 55 3HB ALA 55 8.070 3.934 -2.543 420 H GLU 56 H GLU 56 7.956 5.813 -5.936 421 HA GLU 56 HA GLU 56 9.791 7.890 -6.179 422 1HB GLU 56 2HB GLU 56 7.871 6.581 -8.085 423 2HB GLU 56 1HB GLU 56 8.944 7.859 -8.592 424 1HG GLU 56 2HG GLU 56 10.837 6.435 -7.695 425 2HG GLU 56 1HG GLU 56 9.651 5.129 -7.610 426 H GLY 57 H GLY 57 6.268 7.862 -6.681 427 1HA GLY 57 2HA GLY 57 6.017 10.569 -7.411 428 2HA GLY 57 1HA GLY 57 4.731 9.566 -6.759 429 H ALA 58 H ALA 58 5.815 8.992 -4.249 430 HA ALA 58 HA ALA 58 5.123 11.316 -2.792 431 1HB ALA 58 1HB ALA 58 5.748 10.044 -0.815 432 2HB ALA 58 2HB ALA 58 6.537 8.834 -1.826 433 3HB ALA 58 3HB ALA 58 4.789 9.054 -1.916 434 H LEU 59 H LEU 59 8.244 9.792 -3.518 435 HA LEU 59 HA LEU 59 9.833 11.575 -2.038 436 1HB LEU 59 2HB LEU 59 10.349 9.751 -4.367 437 2HB LEU 59 1HB LEU 59 11.606 10.753 -3.692 438 HG LEU 59 HG LEU 59 10.074 8.643 -2.175 439 1HD1 LEU 59 1HD1 LEU 59 11.579 7.702 -3.870 440 2HD1 LEU 59 2HD1 LEU 59 12.136 7.362 -2.232 441 3HD1 LEU 59 3HD1 LEU 59 12.915 8.625 -3.186 442 1HD2 LEU 59 1HD2 LEU 59 11.720 9.015 -0.412 443 2HD2 LEU 59 2HD2 LEU 59 10.805 10.485 -0.747 444 3HD2 LEU 59 3HD2 LEU 59 12.450 10.312 -1.359 445 H GLU 60 H GLU 60 8.642 11.610 -5.350 446 HA GLU 60 HA GLU 60 10.079 13.852 -6.266 447 1HB GLU 60 2HB GLU 60 8.708 12.210 -7.642 448 2HB GLU 60 1HB GLU 60 7.281 13.081 -7.106 449 1HG GLU 60 2HG GLU 60 7.872 13.856 -9.281 450 2HG GLU 60 1HG GLU 60 8.211 15.139 -8.121 451 H LEU 61 H LEU 61 6.952 13.546 -4.637 452 HA LEU 61 HA LEU 61 6.202 16.254 -4.767 453 1HB LEU 61 2HB LEU 61 4.648 14.426 -4.236 454 2HB LEU 61 1HB LEU 61 5.474 14.165 -2.712 455 HG LEU 61 HG LEU 61 4.790 16.434 -1.981 456 1HD1 LEU 61 1HD1 LEU 61 3.046 17.606 -3.258 457 2HD1 LEU 61 2HD1 LEU 61 3.227 16.431 -4.561 458 3HD1 LEU 61 3HD1 LEU 61 4.566 17.502 -4.146 459 1HD2 LEU 61 1HD2 LEU 61 2.524 14.644 -2.853 460 2HD2 LEU 61 2HD2 LEU 61 2.448 15.880 -1.598 461 3HD2 LEU 61 3HD2 LEU 61 3.473 14.463 -1.379 462 H ILE 62 H ILE 62 7.888 14.423 -2.219 463 HA ILE 62 HA ILE 62 8.205 16.773 -0.579 464 HB ILE 62 HB ILE 62 9.465 15.366 0.942 465 1HG1 ILE 62 2HG1 ILE 62 9.232 13.202 -1.164 466 2HG1 ILE 62 1HG1 ILE 62 10.711 14.063 -0.756 467 1HG2 ILE 62 1HG2 ILE 62 7.742 13.657 1.404 468 2HG2 ILE 62 2HG2 ILE 62 7.010 14.004 -0.164 469 3HG2 ILE 62 3HG2 ILE 62 7.062 15.251 1.083 470 1HD1 ILE 62 1HD1 ILE 62 9.144 12.301 1.106 471 2HD1 ILE 62 2HD1 ILE 62 10.642 13.147 1.492 472 3HD1 ILE 62 3HD1 ILE 62 10.640 11.866 0.280 473 H LYS 63 H LYS 63 9.699 15.698 -3.304 474 HA LYS 63 HA LYS 63 12.322 16.782 -2.776 475 1HB LYS 63 2HB LYS 63 12.058 14.954 -4.368 476 2HB LYS 63 1HB LYS 63 10.942 15.910 -5.327 477 1HG LYS 63 2HG LYS 63 13.691 16.949 -4.896 478 2HG LYS 63 1HG LYS 63 13.453 15.609 -6.019 479 1HD LYS 63 2HD LYS 63 11.483 17.248 -6.831 480 2HD LYS 63 1HD LYS 63 12.640 18.440 -6.232 481 1HE LYS 63 2HE LYS 63 13.003 18.013 -8.594 482 2HE LYS 63 1HE LYS 63 14.378 17.445 -7.646 483 1HZ LYS 63 1HZ LYS 63 13.584 15.200 -7.829 484 2HZ LYS 63 2HZ LYS 63 13.666 15.866 -9.383 485 3HZ LYS 63 3HZ LYS 63 12.164 15.703 -8.606 486 H VAL 64 H VAL 64 9.294 17.768 -4.246 487 HA VAL 64 HA VAL 64 10.190 20.250 -5.282 488 HB VAL 64 HB VAL 64 7.397 19.429 -4.458 489 1HG1 VAL 64 1HG1 VAL 64 7.584 21.842 -4.634 490 2HG1 VAL 64 2HG1 VAL 64 6.651 21.205 -5.988 491 3HG1 VAL 64 3HG1 VAL 64 8.330 21.689 -6.224 492 1HG2 VAL 64 1HG2 VAL 64 8.318 17.934 -6.137 493 2HG2 VAL 64 2HG2 VAL 64 8.765 19.311 -7.144 494 3HG2 VAL 64 3HG2 VAL 64 7.065 18.952 -6.843 495 H ARG 65 H ARG 65 8.319 19.443 -2.362 496 HA ARG 65 HA ARG 65 9.500 21.771 -1.026 497 1HB ARG 65 2HB ARG 65 6.560 21.134 -1.214 498 2HB ARG 65 1HB ARG 65 7.220 22.148 0.059 499 1HG ARG 65 2HG ARG 65 8.156 23.625 -1.738 500 2HG ARG 65 1HG ARG 65 7.217 22.679 -2.896 501 1HD ARG 65 2HD ARG 65 5.164 23.251 -1.738 502 2HD ARG 65 1HD ARG 65 6.077 24.137 -0.516 503 HE ARG 65 HE ARG 65 6.317 24.993 -3.305 504 1HH1 ARG 65 1HH1 ARG 65 5.070 25.568 -0.080 505 2HH1 ARG 65 2HH1 ARG 65 4.651 27.221 -0.395 506 1HH2 ARG 65 1HH2 ARG 65 5.762 27.160 -3.723 507 2HH2 ARG 65 2HH2 ARG 65 5.022 28.123 -2.479 508 H ARG 66 H ARG 66 8.005 21.493 1.355 509 HA ARG 66 HA ARG 66 9.343 19.138 2.429 510 1HB ARG 66 2HB ARG 66 7.986 21.499 3.730 511 2HB ARG 66 1HB ARG 66 8.558 20.117 4.645 512 1HG ARG 66 2HG ARG 66 10.200 21.792 4.829 513 2HG ARG 66 1HG ARG 66 10.844 20.578 3.728 514 1HD ARG 66 2HD ARG 66 10.725 21.962 1.912 515 2HD ARG 66 1HD ARG 66 9.366 22.881 2.565 516 HE ARG 66 HE ARG 66 11.311 23.572 4.252 517 1HH1 ARG 66 1HH1 ARG 66 11.394 23.349 0.753 518 2HH1 ARG 66 2HH1 ARG 66 12.473 24.704 0.575 519 1HH2 ARG 66 1HH2 ARG 66 12.741 25.313 4.015 520 2HH2 ARG 66 2HH2 ARG 66 13.251 25.809 2.435 521 HA PRO 67 HA PRO 67 5.550 16.800 2.901 522 1HB PRO 67 2HB PRO 67 6.686 15.547 5.277 523 2HB PRO 67 1HB PRO 67 6.337 14.826 3.706 524 1HG PRO 67 2HG PRO 67 8.860 15.238 4.631 525 2HG PRO 67 1HG PRO 67 8.445 15.229 2.908 526 1HD PRO 67 2HD PRO 67 8.956 17.541 4.726 527 2HD PRO 67 1HD PRO 67 9.387 17.332 3.018 528 H LYS 68 H LYS 68 3.660 17.074 4.086 529 HA LYS 68 HA LYS 68 3.822 19.173 6.088 530 1HB LYS 68 2HB LYS 68 1.327 17.874 5.000 531 2HB LYS 68 1HB LYS 68 1.458 19.425 5.818 532 1HG LYS 68 2HG LYS 68 2.530 18.738 3.089 533 2HG LYS 68 1HG LYS 68 1.142 19.760 3.453 534 1HD LYS 68 2HD LYS 68 3.988 20.337 4.265 535 2HD LYS 68 1HD LYS 68 3.158 21.056 2.885 536 1HE LYS 68 2HE LYS 68 2.231 21.294 5.743 537 2HE LYS 68 1HE LYS 68 3.209 22.502 4.912 538 1HZ LYS 68 1HZ LYS 68 0.600 21.607 3.833 539 2HZ LYS 68 2HZ LYS 68 1.475 23.011 3.457 540 3HZ LYS 68 3HZ LYS 68 0.720 22.865 4.964 541 H TYR 69 H TYR 69 2.246 15.976 5.856 542 HA TYR 69 HA TYR 69 2.567 15.758 8.779 543 1HB TYR 69 2HB TYR 69 0.203 14.856 7.126 544 2HB TYR 69 1HB TYR 69 0.440 14.466 8.828 545 HD1 TYR 69 1HD TYR 69 -0.954 16.795 6.544 546 HD2 TYR 69 2HD TYR 69 0.734 16.481 10.436 547 HE1 TYR 69 1HE TYR 69 -2.027 18.916 7.177 548 HE2 TYR 69 2HE TYR 69 -0.333 18.599 11.078 549 HH TYR 69 HH TYR 69 -1.192 20.640 9.964 550 H VAL 70 H VAL 70 2.120 13.917 5.753 551 HA VAL 70 HA VAL 70 3.116 11.477 6.727 552 HB VAL 70 HB VAL 70 2.002 11.809 4.501 553 1HG1 VAL 70 1HG1 VAL 70 3.212 13.783 3.774 554 2HG1 VAL 70 2HG1 VAL 70 3.366 12.487 2.589 555 3HG1 VAL 70 3HG1 VAL 70 4.706 12.853 3.677 556 1HG2 VAL 70 1HG2 VAL 70 4.658 10.378 4.481 557 2HG2 VAL 70 2HG2 VAL 70 3.367 10.147 3.300 558 3HG2 VAL 70 3HG2 VAL 70 3.105 9.714 4.991 559 H HIS 71 H HIS 71 5.244 10.532 6.435 560 HA HIS 71 HA HIS 71 7.413 12.516 6.299 561 1HB HIS 71 2HB HIS 71 6.935 10.418 8.407 562 2HB HIS 71 1HB HIS 71 8.560 11.002 8.069 563 HD1 HIS 71 1HD HIS 71 5.178 12.625 8.847 564 HD2 HIS 71 2HD HIS 71 9.228 13.019 9.698 565 HE1 HIS 71 1HE HIS 71 5.348 14.543 10.455 566 HE2 HIS 71 2HE HIS 71 7.791 14.719 11.025 567 H LYS 72 H LYS 72 9.380 11.751 5.468 568 HA LYS 72 HA LYS 72 9.226 9.774 3.468 569 1HB LYS 72 2HB LYS 72 10.885 11.669 3.583 570 2HB LYS 72 1HB LYS 72 11.736 10.774 4.835 571 1HG LYS 72 2HG LYS 72 12.182 8.969 3.272 572 2HG LYS 72 1HG LYS 72 11.281 9.822 2.014 573 1HD LYS 72 2HD LYS 72 13.615 10.225 1.646 574 2HD LYS 72 1HD LYS 72 12.900 11.717 2.256 575 1HE LYS 72 2HE LYS 72 14.914 11.487 3.435 576 2HE LYS 72 1HE LYS 72 13.665 10.951 4.559 577 1HZ LYS 72 1HZ LYS 72 15.465 9.218 2.950 578 2HZ LYS 72 2HZ LYS 72 14.183 8.636 3.905 579 3HZ LYS 72 3HZ LYS 72 15.495 9.429 4.632 580 H GLU 73 H GLU 73 10.362 9.748 6.771 581 HA GLU 73 HA GLU 73 11.385 7.242 7.153 582 1HB GLU 73 2HB GLU 73 11.212 8.925 8.903 583 2HB GLU 73 1HB GLU 73 9.461 8.812 8.885 584 1HG GLU 73 2HG GLU 73 9.746 6.403 9.593 585 2HG GLU 73 1HG GLU 73 11.443 6.794 9.887 586 H GLN 74 H GLN 74 7.959 8.166 7.208 587 HA GLN 74 HA GLN 74 7.003 5.509 7.528 588 1HB GLN 74 2HB GLN 74 5.766 8.173 7.023 589 2HB GLN 74 1HB GLN 74 4.808 6.743 6.669 590 1HG GLN 74 2HG GLN 74 5.051 5.971 8.946 591 2HG GLN 74 1HG GLN 74 6.108 7.332 9.319 592 1HE2 GLN 74 1HE2 GLN 74 5.237 9.340 9.646 593 2HE2 GLN 74 2HE2 GLN 74 3.534 9.611 9.817 594 H ILE 75 H ILE 75 7.439 7.632 4.743 595 HA ILE 75 HA ILE 75 6.050 6.105 2.851 596 HB ILE 75 HB ILE 75 8.451 7.901 2.449 597 1HG1 ILE 75 2HG1 ILE 75 5.503 8.466 2.054 598 2HG1 ILE 75 1HG1 ILE 75 6.427 8.956 3.468 599 1HG2 ILE 75 1HG2 ILE 75 8.179 6.386 0.562 600 2HG2 ILE 75 2HG2 ILE 75 7.756 8.037 0.108 601 3HG2 ILE 75 3HG2 ILE 75 6.485 6.854 0.417 602 1HD1 ILE 75 1HD1 ILE 75 7.850 10.347 2.070 603 2HD1 ILE 75 2HD1 ILE 75 6.148 10.793 1.907 604 3HD1 ILE 75 3HD1 ILE 75 6.939 9.847 0.644 605 H GLU 76 H GLU 76 9.453 5.983 3.842 606 HA GLU 76 HA GLU 76 10.156 3.984 1.934 607 1HB GLU 76 2HB GLU 76 11.548 4.888 4.460 608 2HB GLU 76 1HB GLU 76 12.251 3.799 3.271 609 1HG GLU 76 2HG GLU 76 12.126 5.536 1.576 610 2HG GLU 76 1HG GLU 76 11.367 6.626 2.734 611 H ALA 77 H ALA 77 8.999 3.948 5.228 612 HA ALA 77 HA ALA 77 9.444 1.180 5.699 613 1HB ALA 77 1HB ALA 77 9.105 2.791 7.519 614 2HB ALA 77 2HB ALA 77 7.960 1.452 7.602 615 3HB ALA 77 3HB ALA 77 7.437 3.022 6.993 616 H VAL 78 H VAL 78 6.549 3.032 4.751 617 HA VAL 78 HA VAL 78 4.779 0.869 4.608 618 HB VAL 78 HB VAL 78 4.749 3.528 3.179 619 1HG1 VAL 78 1HG1 VAL 78 3.464 1.929 1.848 620 2HG1 VAL 78 2HG1 VAL 78 2.398 3.087 2.645 621 3HG1 VAL 78 3HG1 VAL 78 2.560 1.453 3.285 622 1HG2 VAL 78 1HG2 VAL 78 2.975 4.021 4.819 623 2HG2 VAL 78 2HG2 VAL 78 4.522 3.654 5.583 624 3HG2 VAL 78 3HG2 VAL 78 3.245 2.437 5.550 625 H LYS 79 H LYS 79 6.896 2.274 2.162 626 HA LYS 79 HA LYS 79 6.098 0.898 -0.085 627 1HB LYS 79 2HB LYS 79 7.733 2.580 -0.326 628 2HB LYS 79 1HB LYS 79 8.797 1.846 0.855 629 1HG LYS 79 2HG LYS 79 8.216 0.270 -1.581 630 2HG LYS 79 1HG LYS 79 9.228 1.704 -1.767 631 1HD LYS 79 2HD LYS 79 10.809 0.885 -0.167 632 2HD LYS 79 1HD LYS 79 9.743 -0.444 0.288 633 1HE LYS 79 2HE LYS 79 9.980 -1.384 -1.963 634 2HE LYS 79 1HE LYS 79 11.065 -0.065 -2.397 635 1HZ LYS 79 1HZ LYS 79 12.279 -2.063 -1.793 636 2HZ LYS 79 2HZ LYS 79 11.561 -2.073 -0.254 637 3HZ LYS 79 3HZ LYS 79 12.605 -0.808 -0.697 638 H ASP 80 H ASP 80 8.494 -0.164 2.314 639 HA ASP 80 HA ASP 80 8.894 -2.665 0.954 640 1HB ASP 80 2HB ASP 80 10.493 -1.204 2.526 641 2HB ASP 80 1HB ASP 80 9.851 -2.305 3.743 642 H ASN 81 H ASN 81 7.221 -1.592 3.859 643 HA ASN 81 HA ASN 81 6.533 -4.130 4.867 644 1HB ASN 81 2HB ASN 81 5.268 -1.414 5.218 645 2HB ASN 81 1HB ASN 81 4.652 -2.849 6.026 646 1HD2 ASN 81 1HD2 ASN 81 5.757 -0.432 7.175 647 2HD2 ASN 81 2HD2 ASN 81 7.103 -0.926 8.143 648 H PHE 82 H PHE 82 5.016 -2.059 2.476 649 HA PHE 82 HA PHE 82 2.521 -3.344 2.338 650 1HB PHE 82 2HB PHE 82 3.137 -1.123 1.315 651 2HB PHE 82 1HB PHE 82 3.973 -2.012 0.047 652 HD1 PHE 82 1HD PHE 82 2.825 -2.637 -1.860 653 HD2 PHE 82 2HD PHE 82 0.645 -1.692 1.668 654 HE1 PHE 82 1HE PHE 82 0.720 -2.802 -3.119 655 HE2 PHE 82 2HE PHE 82 -1.464 -1.854 0.416 656 HZ PHE 82 HZ PHE 82 -1.428 -2.411 -1.982 657 H LEU 83 H LEU 83 5.574 -3.951 0.663 658 HA LEU 83 HA LEU 83 4.619 -5.990 -1.041 659 1HB LEU 83 2HB LEU 83 7.379 -5.392 0.015 660 2HB LEU 83 1HB LEU 83 7.054 -6.648 -1.163 661 HG LEU 83 HG LEU 83 6.518 -3.704 -1.566 662 1HD1 LEU 83 1HD1 LEU 83 8.644 -5.484 -2.750 663 2HD1 LEU 83 2HD1 LEU 83 8.906 -4.252 -1.515 664 3HD1 LEU 83 3HD1 LEU 83 8.375 -3.783 -3.130 665 1HD2 LEU 83 1HD2 LEU 83 6.051 -4.331 -3.879 666 2HD2 LEU 83 2HD2 LEU 83 4.938 -5.132 -2.769 667 3HD2 LEU 83 3HD2 LEU 83 6.283 -6.032 -3.472 668 H GLU 84 H GLU 84 5.966 -6.029 2.227 669 HA GLU 84 HA GLU 84 5.949 -8.868 2.468 670 1HB GLU 84 2HB GLU 84 5.925 -6.739 4.613 671 2HB GLU 84 1HB GLU 84 6.170 -8.455 4.906 672 1HG GLU 84 2HG GLU 84 8.156 -8.295 3.346 673 2HG GLU 84 1HG GLU 84 7.968 -6.545 3.454 674 H LEU 85 H LEU 85 3.638 -6.324 3.220 675 HA LEU 85 HA LEU 85 1.762 -7.776 4.673 676 1HB LEU 85 2HB LEU 85 1.876 -5.272 4.180 677 2HB LEU 85 1HB LEU 85 1.092 -5.636 2.660 678 HG LEU 85 HG LEU 85 -0.150 -6.342 5.319 679 1HD1 LEU 85 1HD1 LEU 85 -1.467 -4.300 5.123 680 2HD1 LEU 85 2HD1 LEU 85 -0.546 -3.835 3.692 681 3HD1 LEU 85 3HD1 LEU 85 0.253 -3.936 5.262 682 1HD2 LEU 85 1HD2 LEU 85 -2.231 -6.334 4.021 683 2HD2 LEU 85 2HD2 LEU 85 -1.078 -7.511 3.390 684 3HD2 LEU 85 3HD2 LEU 85 -1.317 -5.973 2.558 685 H VAL 86 H VAL 86 1.901 -7.192 1.162 686 HA VAL 86 HA VAL 86 -0.338 -8.702 0.452 687 HB VAL 86 HB VAL 86 2.163 -8.239 -1.188 688 1HG1 VAL 86 1HG1 VAL 86 0.686 -8.593 -3.129 689 2HG1 VAL 86 2HG1 VAL 86 -0.621 -9.044 -2.033 690 3HG1 VAL 86 3HG1 VAL 86 0.835 -10.035 -2.126 691 1HG2 VAL 86 1HG2 VAL 86 0.894 -6.365 -2.164 692 2HG2 VAL 86 2HG2 VAL 86 1.193 -6.149 -0.438 693 3HG2 VAL 86 3HG2 VAL 86 -0.399 -6.658 -1.001 694 H LEU 87 H LEU 87 3.075 -9.666 0.692 695 HA LEU 87 HA LEU 87 2.689 -12.320 -0.193 696 1HB LEU 87 2HB LEU 87 4.876 -11.169 -0.121 697 2HB LEU 87 1HB LEU 87 4.837 -11.230 1.630 698 HG LEU 87 HG LEU 87 4.851 -13.708 1.513 699 1HD1 LEU 87 1HD1 LEU 87 5.396 -14.802 -0.598 700 2HD1 LEU 87 2HD1 LEU 87 5.281 -13.257 -1.438 701 3HD1 LEU 87 3HD1 LEU 87 3.847 -13.966 -0.698 702 1HD2 LEU 87 1HD2 LEU 87 7.199 -13.919 0.876 703 2HD2 LEU 87 2HD2 LEU 87 6.926 -12.457 1.824 704 3HD2 LEU 87 3HD2 LEU 87 7.129 -12.348 0.077 705 H GLN 88 H GLN 88 2.826 -10.924 3.069 706 HA GLN 88 HA GLN 88 2.676 -13.355 4.471 707 1HB GLN 88 2HB GLN 88 2.109 -10.505 5.213 708 2HB GLN 88 1HB GLN 88 1.824 -11.811 6.356 709 1HG GLN 88 2HG GLN 88 4.470 -11.430 4.994 710 2HG GLN 88 1HG GLN 88 4.052 -10.612 6.500 711 1HE2 GLN 88 1HE2 GLN 88 5.720 -11.695 7.578 712 2HE2 GLN 88 2HE2 GLN 88 5.559 -13.348 8.056 713 H SER 89 H SER 89 0.201 -11.384 3.023 714 HA SER 89 HA SER 89 -1.990 -12.417 4.491 715 1HB SER 89 2HB SER 89 -2.021 -10.310 3.119 716 2HB SER 89 1HB SER 89 -2.036 -11.315 1.669 717 HG SER 89 HG SER 89 -4.085 -10.594 3.237 718 H TYR 90 H TYR 90 -0.027 -13.764 2.013 719 HA TYR 90 HA TYR 90 -2.053 -15.835 1.517 720 1HB TYR 90 2HB TYR 90 0.285 -14.962 -0.175 721 2HB TYR 90 1HB TYR 90 -0.702 -16.379 -0.524 722 HD1 TYR 90 1HD TYR 90 -0.347 -12.878 -1.029 723 HD2 TYR 90 2HD TYR 90 -3.249 -15.974 -0.762 724 HE1 TYR 90 1HE TYR 90 -1.968 -11.457 -2.214 725 HE2 TYR 90 2HE TYR 90 -4.875 -14.563 -1.947 726 HH TYR 90 HH TYR 90 -4.020 -11.749 -3.589 727 H VAL 91 H VAL 91 1.316 -15.333 2.477 728 HA VAL 91 HA VAL 91 1.792 -18.183 2.638 729 HB VAL 91 HB VAL 91 3.980 -17.574 3.642 730 1HG1 VAL 91 1HG1 VAL 91 4.915 -16.564 1.615 731 2HG1 VAL 91 2HG1 VAL 91 3.287 -16.153 1.075 732 3HG1 VAL 91 3HG1 VAL 91 3.763 -17.844 1.238 733 1HG2 VAL 91 1HG2 VAL 91 4.676 -15.228 3.649 734 2HG2 VAL 91 2HG2 VAL 91 3.336 -15.512 4.759 735 3HG2 VAL 91 3HG2 VAL 91 3.043 -14.746 3.198 736 H HIS 92 H HIS 92 0.756 -15.657 4.776 737 HA HIS 92 HA HIS 92 -0.170 -15.715 6.843 738 1HB HIS 92 2HB HIS 92 -0.519 -18.546 5.943 739 2HB HIS 92 1HB HIS 92 -0.959 -18.100 7.585 740 HD1 HIS 92 1HD HIS 92 -3.393 -17.743 7.735 741 HD2 HIS 92 2HD HIS 92 -1.864 -16.430 4.091 742 HE1 HIS 92 1HE HIS 92 -5.354 -16.816 6.465 743 HE2 HIS 92 2HE HIS 92 -4.384 -15.887 4.336 744 H HIS 93 H HIS 93 2.673 -15.696 6.987 745 HA HIS 93 HA HIS 93 2.862 -17.235 9.481 746 1HB HIS 93 2HB HIS 93 5.205 -17.594 9.263 747 2HB HIS 93 1HB HIS 93 4.443 -18.116 7.775 748 HD1 HIS 93 1HD HIS 93 7.045 -15.902 9.117 749 HD2 HIS 93 2HD HIS 93 5.006 -16.400 5.525 750 HE1 HIS 93 1HE HIS 93 8.402 -14.678 7.388 751 HE2 HIS 93 2HE HIS 93 7.247 -15.142 5.201 752 H ILE 94 H ILE 94 1.714 -15.326 10.199 753 HA ILE 94 HA ILE 94 3.677 -13.472 11.350 754 HB ILE 94 HB ILE 94 1.907 -11.741 11.531 755 1HG1 ILE 94 2HG1 ILE 94 -0.002 -13.415 11.190 756 2HG1 ILE 94 1HG1 ILE 94 -0.158 -11.848 10.411 757 1HG2 ILE 94 1HG2 ILE 94 2.610 -12.572 8.725 758 2HG2 ILE 94 2HG2 ILE 94 3.566 -11.553 9.803 759 3HG2 ILE 94 3HG2 ILE 94 2.011 -10.980 9.201 760 1HD1 ILE 94 1HD1 ILE 94 -0.894 -13.668 8.968 761 2HD1 ILE 94 2HD1 ILE 94 0.715 -14.385 9.050 762 3HD1 ILE 94 3HD1 ILE 94 0.488 -12.813 8.285 763 H HIS 95 H HIS 95 2.848 -12.568 13.478 764 HA HIS 95 HA HIS 95 1.819 -14.849 14.962 765 1HB HIS 95 2HB HIS 95 3.866 -13.456 15.647 766 2HB HIS 95 1HB HIS 95 2.708 -12.240 16.181 767 HD1 HIS 95 1HD HIS 95 4.039 -15.634 17.014 768 HD2 HIS 95 2HD HIS 95 1.277 -12.905 18.508 769 HE1 HIS 95 1HE HIS 95 3.452 -16.452 19.313 770 HE2 HIS 95 2HE HIS 95 1.919 -14.696 20.263 771 H LYS 96 H LYS 96 1.183 -11.341 15.342 772 HA LYS 96 HA LYS 96 -1.630 -11.748 14.919 773 1HB LYS 96 2HB LYS 96 -1.419 -12.547 17.236 774 2HB LYS 96 1HB LYS 96 -0.692 -11.016 17.697 775 1HG LYS 96 2HG LYS 96 -2.789 -9.870 17.044 776 2HG LYS 96 1HG LYS 96 -3.506 -11.447 16.715 777 1HD LYS 96 2HD LYS 96 -3.158 -12.094 19.047 778 2HD LYS 96 1HD LYS 96 -2.426 -10.523 19.378 779 1HE LYS 96 2HE LYS 96 -4.696 -10.452 20.126 780 2HE LYS 96 1HE LYS 96 -4.573 -9.461 18.677 781 1HZ LYS 96 1HZ LYS 96 -5.678 -12.210 18.863 782 2HZ LYS 96 2HZ LYS 96 -5.439 -11.381 17.406 783 3HZ LYS 96 3HZ LYS 96 -6.541 -10.784 18.548 784 H LYS 97 H LYS 97 0.315 -9.419 16.834 785 HA LYS 97 HA LYS 97 -1.371 -7.292 15.983 786 1HB LYS 97 2HB LYS 97 0.052 -5.828 17.278 787 2HB LYS 97 1HB LYS 97 -0.269 -7.299 18.184 788 1HG LYS 97 2HG LYS 97 1.922 -8.145 17.694 789 2HG LYS 97 1HG LYS 97 2.248 -6.789 16.615 790 1HD LYS 97 2HD LYS 97 1.623 -6.421 19.536 791 2HD LYS 97 1HD LYS 97 3.264 -6.676 18.944 792 1HE LYS 97 2HE LYS 97 3.008 -4.336 19.144 793 2HE LYS 97 1HE LYS 97 2.890 -4.686 17.424 794 1HZ LYS 97 1HZ LYS 97 0.575 -4.249 19.240 795 2HZ LYS 97 2HZ LYS 97 0.505 -4.492 17.567 796 3HZ LYS 97 3HZ LYS 97 1.218 -3.087 18.182 797 H ARG 98 H ARG 98 1.641 -8.553 14.772 798 HA ARG 98 HA ARG 98 2.633 -6.247 13.539 799 1HB ARG 98 2HB ARG 98 4.002 -8.232 13.822 800 2HB ARG 98 1HB ARG 98 2.972 -9.130 12.717 801 1HG ARG 98 2HG ARG 98 3.667 -7.780 10.868 802 2HG ARG 98 1HG ARG 98 4.558 -6.695 11.935 803 1HD ARG 98 2HD ARG 98 5.166 -9.623 11.565 804 2HD ARG 98 1HD ARG 98 5.997 -8.313 10.727 805 HE ARG 98 HE ARG 98 6.355 -7.589 13.265 806 1HH1 ARG 98 1HH1 ARG 98 6.709 -10.713 11.731 807 2HH1 ARG 98 2HH1 ARG 98 7.978 -11.242 12.792 808 1HH2 ARG 98 1HH2 ARG 98 8.003 -8.279 14.681 809 2HH2 ARG 98 2HH2 ARG 98 8.716 -9.852 14.477 810 H PHE 99 H PHE 99 0.538 -8.793 12.167 811 HA PHE 99 HA PHE 99 0.455 -7.714 9.567 812 1HB PHE 99 2HB PHE 99 -0.233 -10.031 10.144 813 2HB PHE 99 1HB PHE 99 -1.656 -9.386 10.953 814 HD1 PHE 99 1HD PHE 99 -3.592 -8.791 9.737 815 HD2 PHE 99 2HD PHE 99 0.008 -9.750 7.673 816 HE1 PHE 99 1HE PHE 99 -4.829 -8.858 7.612 817 HE2 PHE 99 2HE PHE 99 -1.225 -9.820 5.545 818 HZ PHE 99 HZ PHE 99 -3.648 -9.372 5.512 819 H LYS 100 H LYS 100 -1.584 -7.226 12.401 820 HA LYS 100 HA LYS 100 -3.501 -5.562 11.140 821 1HB LYS 100 2HB LYS 100 -3.838 -6.771 13.287 822 2HB LYS 100 1HB LYS 100 -2.683 -5.698 14.053 823 1HG LYS 100 2HG LYS 100 -5.117 -4.574 12.731 824 2HG LYS 100 1HG LYS 100 -5.224 -5.287 14.340 825 1HD LYS 100 2HD LYS 100 -3.313 -3.741 14.992 826 2HD LYS 100 1HD LYS 100 -3.592 -2.914 13.458 827 1HE LYS 100 2HE LYS 100 -5.909 -2.481 14.122 828 2HE LYS 100 1HE LYS 100 -5.620 -3.300 15.656 829 1HZ LYS 100 1HZ LYS 100 -5.317 -1.117 16.225 830 2HZ LYS 100 2HZ LYS 100 -4.645 -0.686 14.729 831 3HZ LYS 100 3HZ LYS 100 -3.719 -1.561 15.855 832 H ASP 101 H ASP 101 -0.620 -4.885 13.084 833 HA ASP 101 HA ASP 101 -0.831 -2.088 13.084 834 1HB ASP 101 2HB ASP 101 0.651 -3.305 14.604 835 2HB ASP 101 1HB ASP 101 1.661 -3.791 13.252 836 H ILE 102 H ILE 102 1.002 -4.248 10.945 837 HA ILE 102 HA ILE 102 2.140 -2.270 9.339 838 HB ILE 102 HB ILE 102 1.352 -5.102 8.643 839 1HG1 ILE 102 2HG1 ILE 102 4.018 -3.812 9.272 840 2HG1 ILE 102 1HG1 ILE 102 3.102 -4.873 10.336 841 1HG2 ILE 102 1HG2 ILE 102 1.395 -3.811 6.591 842 2HG2 ILE 102 2HG2 ILE 102 2.792 -4.886 6.667 843 3HG2 ILE 102 3HG2 ILE 102 2.983 -3.165 7.004 844 1HD1 ILE 102 1HD1 ILE 102 4.354 -5.628 7.709 845 2HD1 ILE 102 2HD1 ILE 102 3.383 -6.699 8.717 846 3HD1 ILE 102 3HD1 ILE 102 4.920 -6.077 9.317 847 H THR 103 H THR 103 -0.951 -4.016 8.892 848 HA THR 103 HA THR 103 -1.664 -2.809 6.463 849 HB THR 103 HB THR 103 -3.548 -3.784 8.629 850 HG1 THR 103 1HG THR 103 -2.257 -5.511 8.123 851 1HG2 THR 103 1HG2 THR 103 -4.643 -2.474 6.865 852 2HG2 THR 103 2HG2 THR 103 -5.101 -4.174 6.778 853 3HG2 THR 103 3HG2 THR 103 -3.922 -3.519 5.642 854 H GLU 104 H GLU 104 -2.402 -1.906 9.804 855 HA GLU 104 HA GLU 104 -4.018 0.328 9.247 856 1HB GLU 104 2HB GLU 104 -3.897 -0.894 11.400 857 2HB GLU 104 1HB GLU 104 -2.283 -0.260 11.645 858 1HG GLU 104 2HG GLU 104 -3.153 1.992 11.715 859 2HG GLU 104 1HG GLU 104 -4.783 1.381 11.435 860 H SER 105 H SER 105 -0.585 0.015 10.010 861 HA SER 105 HA SER 105 0.097 2.715 10.034 862 1HB SER 105 2HB SER 105 1.505 0.656 10.688 863 2HB SER 105 1HB SER 105 1.937 0.566 8.981 864 HG SER 105 HG SER 105 2.316 2.829 10.660 865 H VAL 106 H VAL 106 0.151 0.399 7.335 866 HA VAL 106 HA VAL 106 1.007 2.169 5.338 867 HB VAL 106 HB VAL 106 -0.764 -0.276 5.119 868 1HG1 VAL 106 1HG1 VAL 106 -1.105 1.193 3.185 869 2HG1 VAL 106 2HG1 VAL 106 -0.251 -0.285 2.738 870 3HG1 VAL 106 3HG1 VAL 106 0.638 1.228 2.909 871 1HG2 VAL 106 1HG2 VAL 106 2.184 0.144 4.641 872 2HG2 VAL 106 2HG2 VAL 106 1.303 -1.346 4.305 873 3HG2 VAL 106 3HG2 VAL 106 1.449 -0.763 5.964 874 H LEU 107 H LEU 107 -2.304 1.252 6.299 875 HA LEU 107 HA LEU 107 -3.683 2.884 4.498 876 1HB LEU 107 2HB LEU 107 -4.448 1.999 7.277 877 2HB LEU 107 1HB LEU 107 -5.544 2.800 6.172 878 HG LEU 107 HG LEU 107 -4.217 0.141 5.653 879 1HD1 LEU 107 1HD1 LEU 107 -6.453 -0.796 6.005 880 2HD1 LEU 107 2HD1 LEU 107 -7.039 0.798 6.482 881 3HD1 LEU 107 3HD1 LEU 107 -5.826 -0.026 7.462 882 1HD2 LEU 107 1HD2 LEU 107 -4.707 1.385 3.613 883 2HD2 LEU 107 2HD2 LEU 107 -6.372 1.618 4.147 884 3HD2 LEU 107 3HD2 LEU 107 -5.781 -0.004 3.784 885 H TYR 108 H TYR 108 -2.645 3.562 7.826 886 HA TYR 108 HA TYR 108 -3.647 6.138 8.076 887 1HB TYR 108 2HB TYR 108 -2.680 4.891 9.947 888 2HB TYR 108 1HB TYR 108 -1.081 5.013 9.223 889 HD1 TYR 108 1HD TYR 108 -3.810 6.973 10.788 890 HD2 TYR 108 2HD TYR 108 0.259 6.945 9.538 891 HE1 TYR 108 1HE TYR 108 -3.432 9.087 11.989 892 HE2 TYR 108 2HE TYR 108 0.646 9.057 10.734 893 HH TYR 108 HH TYR 108 -0.665 10.988 11.538 894 H THR 109 H THR 109 -0.406 5.169 6.923 895 HA THR 109 HA THR 109 0.500 7.761 6.343 896 HB THR 109 HB THR 109 1.293 5.168 4.997 897 HG1 THR 109 1HG THR 109 1.953 6.359 7.452 898 1HG2 THR 109 1HG2 THR 109 2.738 7.814 5.198 899 2HG2 THR 109 2HG2 THR 109 2.046 7.112 3.736 900 3HG2 THR 109 3HG2 THR 109 3.412 6.325 4.526 901 H LEU 110 H LEU 110 -1.159 5.365 4.297 902 HA LEU 110 HA LEU 110 -1.119 6.862 1.919 903 1HB LEU 110 2HB LEU 110 -3.072 4.784 2.895 904 2HB LEU 110 1HB LEU 110 -3.082 5.442 1.269 905 HG LEU 110 HG LEU 110 -0.801 3.896 2.505 906 1HD1 LEU 110 1HD1 LEU 110 -1.447 2.127 0.942 907 2HD1 LEU 110 2HD1 LEU 110 -2.848 3.082 0.452 908 3HD1 LEU 110 3HD1 LEU 110 -2.726 2.479 2.105 909 1HD2 LEU 110 1HD2 LEU 110 0.113 3.873 0.235 910 2HD2 LEU 110 2HD2 LEU 110 -0.033 5.517 0.856 911 3HD2 LEU 110 3HD2 LEU 110 -1.209 4.908 -0.307 912 H HIS 111 H HIS 111 -3.395 6.827 4.614 913 HA HIS 111 HA HIS 111 -5.337 8.507 3.408 914 1HB HIS 111 2HB HIS 111 -4.709 8.033 6.335 915 2HB HIS 111 1HB HIS 111 -6.102 8.936 5.761 916 HD1 HIS 111 1HD HIS 111 -6.669 6.565 7.501 917 HD2 HIS 111 2HD HIS 111 -6.272 6.243 3.366 918 HE1 HIS 111 1HE HIS 111 -7.918 4.484 6.853 919 HE2 HIS 111 2HE HIS 111 -7.708 4.320 4.348 920 H ALA 112 H ALA 112 -2.441 9.126 5.295 921 HA ALA 112 HA ALA 112 -2.813 11.905 5.678 922 1HB ALA 112 1HB ALA 112 -0.230 10.352 5.534 923 2HB ALA 112 2HB ALA 112 -1.212 10.579 6.979 924 3HB ALA 112 3HB ALA 112 -0.441 11.968 6.214 925 H VAL 113 H VAL 113 -1.008 10.063 3.242 926 HA VAL 113 HA VAL 113 -0.022 12.270 1.800 927 HB VAL 113 HB VAL 113 -0.638 9.486 0.770 928 1HG1 VAL 113 1HG1 VAL 113 -0.344 11.105 -1.034 929 2HG1 VAL 113 2HG1 VAL 113 1.004 9.971 -0.967 930 3HG1 VAL 113 3HG1 VAL 113 1.198 11.608 -0.339 931 1HG2 VAL 113 1HG2 VAL 113 1.713 9.001 1.202 932 2HG2 VAL 113 2HG2 VAL 113 0.880 9.459 2.688 933 3HG2 VAL 113 3HG2 VAL 113 1.932 10.617 1.874 934 H LYS 114 H LYS 114 -2.906 10.264 1.382 935 HA LYS 114 HA LYS 114 -3.934 11.416 -0.924 936 1HB LYS 114 2HB LYS 114 -4.893 9.393 0.012 937 2HB LYS 114 1HB LYS 114 -5.384 10.262 1.460 938 1HG LYS 114 2HG LYS 114 -6.999 11.531 0.242 939 2HG LYS 114 1HG LYS 114 -6.405 10.914 -1.297 940 1HD LYS 114 2HD LYS 114 -7.139 8.655 -0.653 941 2HD LYS 114 1HD LYS 114 -7.771 9.309 0.864 942 1HE LYS 114 2HE LYS 114 -9.344 10.686 -0.319 943 2HE LYS 114 1HE LYS 114 -8.632 10.244 -1.869 944 1HZ LYS 114 1HZ LYS 114 -10.657 9.030 -1.498 945 2HZ LYS 114 2HZ LYS 114 -10.086 8.419 -0.026 946 3HZ LYS 114 3HZ LYS 114 -9.346 7.953 -1.488 947 H ASP 115 H ASP 115 -4.443 12.342 2.463 948 HA ASP 115 HA ASP 115 -6.349 14.357 1.851 949 1HB ASP 115 2HB ASP 115 -6.014 13.174 4.095 950 2HB ASP 115 1HB ASP 115 -4.676 14.293 4.355 951 H GLU 116 H GLU 116 -2.870 14.463 2.564 952 HA GLU 116 HA GLU 116 -2.522 17.228 2.435 953 1HB GLU 116 2HB GLU 116 -0.652 14.940 1.830 954 2HB GLU 116 1HB GLU 116 -0.135 16.620 1.775 955 1HG GLU 116 2HG GLU 116 -0.684 16.908 4.108 956 2HG GLU 116 1HG GLU 116 -1.340 15.276 4.185 957 H ILE 117 H ILE 117 -2.406 14.797 -0.166 958 HA ILE 117 HA ILE 117 -1.785 16.549 -2.270 959 HB ILE 117 HB ILE 117 -3.430 14.013 -2.318 960 1HG1 ILE 117 2HG1 ILE 117 -0.547 14.515 -3.099 961 2HG1 ILE 117 1HG1 ILE 117 -1.066 13.779 -1.584 962 1HG2 ILE 117 1HG2 ILE 117 -2.258 15.571 -4.623 963 2HG2 ILE 117 2HG2 ILE 117 -3.972 15.381 -4.251 964 3HG2 ILE 117 3HG2 ILE 117 -3.014 13.982 -4.740 965 1HD1 ILE 117 1HD1 ILE 117 -1.536 12.662 -4.340 966 2HD1 ILE 117 2HD1 ILE 117 -2.046 11.922 -2.822 967 3HD1 ILE 117 3HD1 ILE 117 -0.328 12.106 -3.182 968 H ALA 118 H ALA 118 -4.948 15.444 -1.076 969 HA ALA 118 HA ALA 118 -6.459 17.053 -2.863 970 1HB ALA 118 1HB ALA 118 -7.304 15.817 -0.246 971 2HB ALA 118 2HB ALA 118 -7.358 15.027 -1.823 972 3HB ALA 118 3HB ALA 118 -8.377 16.431 -1.504 973 H ARG 119 H ARG 119 -4.817 17.755 0.045 974 HA ARG 119 HA ARG 119 -6.419 20.076 0.679 975 1HB ARG 119 2HB ARG 119 -5.332 18.680 2.428 976 2HB ARG 119 1HB ARG 119 -3.759 19.191 1.832 977 1HG ARG 119 2HG ARG 119 -4.165 21.445 2.499 978 2HG ARG 119 1HG ARG 119 -5.862 21.099 2.835 979 1HD ARG 119 2HD ARG 119 -3.454 20.087 4.335 980 2HD ARG 119 1HD ARG 119 -4.687 21.204 4.918 981 HE ARG 119 HE ARG 119 -5.181 18.347 4.325 982 1HH1 ARG 119 1HH1 ARG 119 -5.878 21.261 6.147 983 2HH1 ARG 119 2HH1 ARG 119 -6.980 20.466 7.235 984 1HH2 ARG 119 1HH2 ARG 119 -6.604 17.304 5.738 985 2HH2 ARG 119 2HH2 ARG 119 -7.361 18.200 7.033 986 H GLU 120 H GLU 120 -3.717 19.274 -1.260 987 HA GLU 120 HA GLU 120 -2.875 22.021 -1.616 988 1HB GLU 120 2HB GLU 120 -2.030 19.425 -2.853 989 2HB GLU 120 1HB GLU 120 -1.427 20.967 -3.431 990 1HG GLU 120 2HG GLU 120 -1.139 19.952 -0.613 991 2HG GLU 120 1HG GLU 120 0.106 19.846 -1.857 992 H ASP 121 H ASP 121 -4.326 19.462 -3.624 993 HA ASP 121 HA ASP 121 -5.822 21.525 -5.068 994 1HB ASP 121 2HB ASP 121 -3.795 20.977 -6.426 995 2HB ASP 121 1HB ASP 121 -4.342 19.302 -6.497 996 H SER 122 H SER 122 -7.898 20.966 -5.368 997 HA SER 122 HA SER 122 -8.679 18.170 -5.268 998 1HB SER 122 2HB SER 122 -8.536 18.947 -2.882 999 2HB SER 122 1HB SER 122 -9.779 20.142 -3.246 1000 HG SER 122 HG SER 122 -10.365 17.935 -2.321 1001 H ARG 123 H ARG 123 -11.360 18.516 -4.850 1002 HA ARG 123 HA ARG 123 -12.312 19.263 -7.389 1003 1HB ARG 123 2HB ARG 123 -14.546 18.916 -6.397 1004 2HB ARG 123 1HB ARG 123 -13.439 17.607 -5.993 1005 1HG ARG 123 2HG ARG 123 -13.058 18.608 -3.794 1006 2HG ARG 123 1HG ARG 123 -14.163 19.918 -4.199 1007 1HD ARG 123 2HD ARG 123 -15.982 18.282 -4.438 1008 2HD ARG 123 1HD ARG 123 -14.865 16.996 -3.978 1009 HE ARG 123 HE ARG 123 -14.960 19.123 -2.056 1010 1HH1 ARG 123 1HH1 ARG 123 -16.582 16.203 -3.115 1011 2HH1 ARG 123 2HH1 ARG 123 -17.271 15.865 -1.560 1012 1HH2 ARG 123 1HH2 ARG 123 -15.831 18.677 -0.004 1013 2HH2 ARG 123 2HH2 ARG 123 -16.832 17.275 0.228 Start of MODEL 16 1 1H MET 1 1HT MET 1 -16.109 12.219 -10.596 2 2H MET 1 2HT MET 1 -15.569 13.822 -10.503 3 3H MET 1 3HT MET 1 -15.256 12.750 -9.229 4 HA MET 1 HA MET 1 -13.855 11.417 -10.644 5 1HB MET 1 2HB MET 1 -14.616 13.510 -12.674 6 2HB MET 1 1HB MET 1 -13.166 12.531 -12.850 7 1HG MET 1 2HG MET 1 -14.528 10.508 -12.831 8 2HG MET 1 1HG MET 1 -15.982 11.486 -12.645 9 1HE MET 1 1HE MET 1 -15.380 9.248 -14.922 10 2HE MET 1 2HE MET 1 -16.093 10.029 -16.333 11 3HE MET 1 3HE MET 1 -16.928 10.081 -14.781 12 H LEU 2 H LEU 2 -11.671 11.758 -10.496 13 HA LEU 2 HA LEU 2 -11.018 14.069 -8.852 14 1HB LEU 2 2HB LEU 2 -9.378 11.634 -9.544 15 2HB LEU 2 1HB LEU 2 -8.964 12.842 -8.344 16 HG LEU 2 HG LEU 2 -11.416 11.091 -8.172 17 1HD1 LEU 2 1HD1 LEU 2 -8.739 10.761 -6.823 18 2HD1 LEU 2 2HD1 LEU 2 -9.389 9.728 -8.096 19 3HD1 LEU 2 3HD1 LEU 2 -10.180 9.792 -6.521 20 1HD2 LEU 2 1HD2 LEU 2 -11.587 13.174 -6.931 21 2HD2 LEU 2 2HD2 LEU 2 -10.033 12.858 -6.157 22 3HD2 LEU 2 3HD2 LEU 2 -11.413 11.810 -5.826 23 H SER 3 H SER 3 -9.862 12.504 -11.808 24 HA SER 3 HA SER 3 -8.532 13.174 -13.516 25 1HB SER 3 2HB SER 3 -8.812 15.965 -12.367 26 2HB SER 3 1HB SER 3 -8.203 15.558 -13.971 27 HG SER 3 HG SER 3 -10.341 16.100 -14.197 28 H GLN 4 H GLN 4 -7.736 13.066 -10.423 29 HA GLN 4 HA GLN 4 -5.041 14.123 -10.552 30 1HB GLN 4 2HB GLN 4 -6.684 12.791 -8.414 31 2HB GLN 4 1HB GLN 4 -4.957 13.037 -8.210 32 1HG GLN 4 2HG GLN 4 -6.904 15.253 -8.785 33 2HG GLN 4 1HG GLN 4 -6.404 14.774 -7.164 34 1HE2 GLN 4 1HE2 GLN 4 -6.027 17.325 -8.422 35 2HE2 GLN 4 2HE2 GLN 4 -4.321 17.600 -8.466 36 H THR 5 H THR 5 -3.614 12.964 -11.654 37 HA THR 5 HA THR 5 -3.795 10.252 -12.274 38 HB THR 5 HB THR 5 -1.192 11.755 -12.078 39 HG1 THR 5 1HG THR 5 -1.814 13.032 -13.663 40 1HG2 THR 5 1HG2 THR 5 -1.055 9.400 -12.731 41 2HG2 THR 5 2HG2 THR 5 -0.643 10.448 -14.088 42 3HG2 THR 5 3HG2 THR 5 -2.227 9.678 -14.019 43 H LEU 6 H LEU 6 -2.056 11.895 -9.657 44 HA LEU 6 HA LEU 6 -0.734 9.494 -8.795 45 1HB LEU 6 2HB LEU 6 0.268 11.748 -8.581 46 2HB LEU 6 1HB LEU 6 -0.973 12.173 -7.419 47 HG LEU 6 HG LEU 6 -0.115 10.432 -5.889 48 1HD1 LEU 6 1HD1 LEU 6 2.076 10.126 -7.940 49 2HD1 LEU 6 2HD1 LEU 6 0.835 8.928 -7.570 50 3HD1 LEU 6 3HD1 LEU 6 2.029 9.366 -6.348 51 1HD2 LEU 6 1HD2 LEU 6 1.949 11.601 -5.282 52 2HD2 LEU 6 2HD2 LEU 6 0.656 12.732 -5.681 53 3HD2 LEU 6 3HD2 LEU 6 1.944 12.418 -6.844 54 H LEU 7 H LEU 7 -3.778 10.939 -8.160 55 HA LEU 7 HA LEU 7 -4.087 10.020 -5.475 56 1HB LEU 7 2HB LEU 7 -5.414 11.839 -6.907 57 2HB LEU 7 1HB LEU 7 -6.468 10.473 -7.203 58 HG LEU 7 HG LEU 7 -7.289 11.828 -5.361 59 1HD1 LEU 7 1HD1 LEU 7 -7.740 9.441 -5.291 60 2HD1 LEU 7 2HD1 LEU 7 -7.561 10.112 -3.669 61 3HD1 LEU 7 3HD1 LEU 7 -6.246 9.183 -4.390 62 1HD2 LEU 7 1HD2 LEU 7 -6.041 11.992 -3.260 63 2HD2 LEU 7 2HD2 LEU 7 -5.195 12.770 -4.598 64 3HD2 LEU 7 3HD2 LEU 7 -4.671 11.186 -4.027 65 H GLU 8 H GLU 8 -5.268 8.831 -8.633 66 HA GLU 8 HA GLU 8 -6.617 6.610 -7.550 67 1HB GLU 8 2HB GLU 8 -6.747 5.785 -9.820 68 2HB GLU 8 1HB GLU 8 -7.105 7.498 -9.774 69 1HG GLU 8 2HG GLU 8 -4.895 8.008 -10.629 70 2HG GLU 8 1HG GLU 8 -4.480 6.293 -10.616 71 H MET 9 H MET 9 -3.304 7.130 -8.506 72 HA MET 9 HA MET 9 -2.379 4.479 -8.408 73 1HB MET 9 2HB MET 9 -1.001 7.065 -7.669 74 2HB MET 9 1HB MET 9 -0.179 5.515 -7.764 75 1HG MET 9 2HG MET 9 -0.646 5.356 -10.116 76 2HG MET 9 1HG MET 9 -1.623 6.822 -10.058 77 1HE MET 9 1HE MET 9 1.721 6.239 -8.106 78 2HE MET 9 2HE MET 9 2.926 6.858 -9.233 79 3HE MET 9 3HE MET 9 2.047 5.376 -9.611 80 H THR 10 H THR 10 -2.664 6.939 -5.885 81 HA THR 10 HA THR 10 -1.789 5.347 -3.735 82 HB THR 10 HB THR 10 -3.728 7.671 -3.634 83 HG1 THR 10 1HG THR 10 -1.869 8.397 -4.638 84 1HG2 THR 10 1HG2 THR 10 -2.824 7.987 -1.365 85 2HG2 THR 10 2HG2 THR 10 -1.861 6.521 -1.555 86 3HG2 THR 10 3HG2 THR 10 -3.623 6.425 -1.545 87 H GLU 11 H GLU 11 -5.080 6.162 -4.866 88 HA GLU 11 HA GLU 11 -6.584 4.638 -3.118 89 1HB GLU 11 2HB GLU 11 -7.017 5.243 -6.040 90 2HB GLU 11 1HB GLU 11 -8.222 4.441 -5.043 91 1HG GLU 11 2HG GLU 11 -7.069 7.116 -4.335 92 2HG GLU 11 1HG GLU 11 -8.477 6.934 -5.376 93 H GLN 12 H GLN 12 -4.908 3.592 -6.046 94 HA GLN 12 HA GLN 12 -5.969 1.001 -6.192 95 1HB GLN 12 2HB GLN 12 -4.680 2.095 -8.006 96 2HB GLN 12 1HB GLN 12 -3.220 1.925 -7.044 97 1HG GLN 12 2HG GLN 12 -3.321 0.200 -8.725 98 2HG GLN 12 1HG GLN 12 -3.457 -0.512 -7.119 99 1HE2 GLN 12 1HE2 GLN 12 -4.482 -2.362 -7.861 100 2HE2 GLN 12 2HE2 GLN 12 -6.106 -2.354 -8.454 101 H MET 13 H MET 13 -3.067 2.229 -4.552 102 HA MET 13 HA MET 13 -2.255 -0.309 -3.558 103 1HB MET 13 2HB MET 13 -0.717 1.625 -3.776 104 2HB MET 13 1HB MET 13 -1.585 2.437 -2.479 105 1HG MET 13 2HG MET 13 -0.936 0.693 -0.920 106 2HG MET 13 1HG MET 13 -0.117 -0.181 -2.214 107 1HE MET 13 1HE MET 13 2.072 0.759 -3.475 108 2HE MET 13 2HE MET 13 2.764 2.346 -3.129 109 3HE MET 13 3HE MET 13 1.158 2.219 -3.847 110 H ILE 14 H ILE 14 -4.298 2.271 -2.309 111 HA ILE 14 HA ILE 14 -4.613 1.266 0.309 112 HB ILE 14 HB ILE 14 -6.569 2.901 -1.321 113 1HG1 ILE 14 2HG1 ILE 14 -4.470 3.773 0.682 114 2HG1 ILE 14 1HG1 ILE 14 -4.362 3.981 -1.065 115 1HG2 ILE 14 1HG2 ILE 14 -7.654 1.831 0.575 116 2HG2 ILE 14 2HG2 ILE 14 -7.502 3.565 0.850 117 3HG2 ILE 14 3HG2 ILE 14 -6.405 2.446 1.659 118 1HD1 ILE 14 1HD1 ILE 14 -5.013 6.044 0.053 119 2HD1 ILE 14 2HD1 ILE 14 -6.428 5.238 0.732 120 3HD1 ILE 14 3HD1 ILE 14 -6.293 5.463 -1.012 121 H GLU 15 H GLU 15 -6.418 0.739 -2.686 122 HA GLU 15 HA GLU 15 -8.471 -0.856 -1.681 123 1HB GLU 15 2HB GLU 15 -8.470 0.040 -3.959 124 2HB GLU 15 1HB GLU 15 -7.117 -1.003 -4.382 125 1HG GLU 15 2HG GLU 15 -8.552 -2.965 -3.876 126 2HG GLU 15 1HG GLU 15 -9.902 -1.863 -3.637 127 H VAL 16 H VAL 16 -5.213 -1.746 -2.782 128 HA VAL 16 HA VAL 16 -5.574 -4.540 -2.540 129 HB VAL 16 HB VAL 16 -2.979 -2.997 -2.308 130 1HG1 VAL 16 1HG1 VAL 16 -3.516 -5.884 -2.988 131 2HG1 VAL 16 2HG1 VAL 16 -2.778 -5.281 -1.504 132 3HG1 VAL 16 3HG1 VAL 16 -1.942 -5.094 -3.047 133 1HG2 VAL 16 1HG2 VAL 16 -4.308 -4.201 -4.728 134 2HG2 VAL 16 2HG2 VAL 16 -2.710 -3.455 -4.689 135 3HG2 VAL 16 3HG2 VAL 16 -4.146 -2.478 -4.380 136 H ALA 17 H ALA 17 -4.403 -2.085 -0.281 137 HA ALA 17 HA ALA 17 -3.732 -3.837 1.822 138 1HB ALA 17 1HB ALA 17 -3.001 -1.506 1.760 139 2HB ALA 17 2HB ALA 17 -3.856 -1.865 3.261 140 3HB ALA 17 3HB ALA 17 -4.667 -0.972 1.973 141 H GLU 18 H GLU 18 -6.707 -1.982 1.199 142 HA GLU 18 HA GLU 18 -8.225 -2.964 3.313 143 1HB GLU 18 2HB GLU 18 -8.923 -1.890 0.599 144 2HB GLU 18 1HB GLU 18 -10.163 -2.428 1.710 145 1HG GLU 18 2HG GLU 18 -9.320 -0.806 3.375 146 2HG GLU 18 1HG GLU 18 -8.178 -0.221 2.165 147 H LYS 19 H LYS 19 -7.838 -4.172 0.011 148 HA LYS 19 HA LYS 19 -9.728 -6.208 0.065 149 1HB LYS 19 2HB LYS 19 -8.217 -5.205 -1.836 150 2HB LYS 19 1HB LYS 19 -7.124 -6.505 -1.387 151 1HG LYS 19 2HG LYS 19 -8.956 -8.110 -1.792 152 2HG LYS 19 1HG LYS 19 -9.949 -6.777 -2.384 153 1HD LYS 19 2HD LYS 19 -7.314 -7.703 -3.538 154 2HD LYS 19 1HD LYS 19 -8.907 -7.939 -4.252 155 1HE LYS 19 2HE LYS 19 -7.737 -5.224 -3.681 156 2HE LYS 19 1HE LYS 19 -7.533 -6.058 -5.220 157 1HZ LYS 19 1HZ LYS 19 -10.145 -5.307 -4.005 158 2HZ LYS 19 2HZ LYS 19 -9.924 -6.074 -5.504 159 3HZ LYS 19 3HZ LYS 19 -9.376 -4.486 -5.277 160 H GLY 20 H GLY 20 -6.279 -6.246 0.912 161 1HA GLY 20 2HA GLY 20 -6.187 -8.994 1.623 162 2HA GLY 20 1HA GLY 20 -5.019 -7.765 2.088 163 H ALA 21 H ALA 21 -6.664 -6.040 3.521 164 HA ALA 21 HA ALA 21 -6.693 -7.256 6.056 165 1HB ALA 21 1HB ALA 21 -7.745 -5.214 6.846 166 2HB ALA 21 2HB ALA 21 -8.132 -4.747 5.190 167 3HB ALA 21 3HB ALA 21 -6.449 -4.835 5.711 168 H ASP 22 H ASP 22 -9.318 -6.533 3.777 169 HA ASP 22 HA ASP 22 -11.439 -7.449 5.403 170 1HB ASP 22 2HB ASP 22 -11.834 -6.070 3.420 171 2HB ASP 22 1HB ASP 22 -11.223 -7.355 2.384 172 H ARG 23 H ARG 23 -9.376 -9.059 3.043 173 HA ARG 23 HA ARG 23 -10.670 -11.567 3.075 174 1HB ARG 23 2HB ARG 23 -8.868 -10.623 1.465 175 2HB ARG 23 1HB ARG 23 -7.714 -11.229 2.642 176 1HG ARG 23 2HG ARG 23 -7.959 -12.871 0.938 177 2HG ARG 23 1HG ARG 23 -8.749 -13.483 2.393 178 1HD ARG 23 2HD ARG 23 -10.157 -13.941 0.504 179 2HD ARG 23 1HD ARG 23 -10.917 -12.691 1.487 180 HE ARG 23 HE ARG 23 -9.429 -12.106 -0.997 181 1HH1 ARG 23 1HH1 ARG 23 -12.133 -11.575 1.154 182 2HH1 ARG 23 2HH1 ARG 23 -12.877 -10.379 0.145 183 1HH2 ARG 23 1HH2 ARG 23 -10.400 -10.545 -2.345 184 2HH2 ARG 23 2HH2 ARG 23 -11.906 -9.804 -1.867 185 H TYR 24 H TYR 24 -8.021 -10.212 4.970 186 HA TYR 24 HA TYR 24 -7.413 -12.534 6.466 187 1HB TYR 24 2HB TYR 24 -5.891 -10.596 6.259 188 2HB TYR 24 1HB TYR 24 -7.024 -9.617 7.181 189 HD1 TYR 24 1HD TYR 24 -4.822 -12.599 7.416 190 HD2 TYR 24 2HD TYR 24 -6.915 -9.553 9.519 191 HE1 TYR 24 1HE TYR 24 -3.681 -13.254 9.492 192 HE2 TYR 24 2HE TYR 24 -5.780 -10.199 11.603 193 HH TYR 24 HH TYR 24 -4.639 -12.113 12.572 194 H GLN 25 H GLN 25 -9.596 -9.809 7.010 195 HA GLN 25 HA GLN 25 -10.385 -10.579 9.629 196 1HB GLN 25 2HB GLN 25 -10.680 -8.296 8.871 197 2HB GLN 25 1HB GLN 25 -11.749 -8.824 7.582 198 1HG GLN 25 2HG GLN 25 -13.420 -9.494 9.183 199 2HG GLN 25 1HG GLN 25 -12.333 -9.115 10.519 200 1HE2 GLN 25 1HE2 GLN 25 -13.810 -7.658 11.379 201 2HE2 GLN 25 2HE2 GLN 25 -14.063 -6.094 10.680 202 H GLU 26 H GLU 26 -11.776 -11.101 6.423 203 HA GLU 26 HA GLU 26 -14.080 -12.494 7.187 204 1HB GLU 26 2HB GLU 26 -13.445 -11.577 4.895 205 2HB GLU 26 1HB GLU 26 -12.462 -13.016 4.687 206 1HG GLU 26 2HG GLU 26 -15.334 -13.321 5.396 207 2HG GLU 26 1HG GLU 26 -14.899 -12.882 3.747 208 H GLY 27 H GLY 27 -10.885 -13.743 6.204 209 1HA GLY 27 2HA GLY 27 -9.687 -15.441 7.241 210 2HA GLY 27 1HA GLY 27 -11.080 -15.786 8.252 211 H LYS 28 H LYS 28 -9.397 -16.537 5.341 212 HA LYS 28 HA LYS 28 -11.340 -18.664 4.787 213 1HB LYS 28 2HB LYS 28 -9.550 -17.069 3.043 214 2HB LYS 28 1HB LYS 28 -9.793 -18.755 2.604 215 1HG LYS 28 2HG LYS 28 -12.025 -16.790 3.082 216 2HG LYS 28 1HG LYS 28 -11.359 -17.181 1.493 217 1HD LYS 28 2HD LYS 28 -11.991 -19.516 1.784 218 2HD LYS 28 1HD LYS 28 -12.601 -19.165 3.403 219 1HE LYS 28 2HE LYS 28 -13.663 -17.882 0.891 220 2HE LYS 28 1HE LYS 28 -14.352 -19.333 1.617 221 1HZ LYS 28 1HZ LYS 28 -14.130 -16.668 2.924 222 2HZ LYS 28 2HZ LYS 28 -14.779 -18.066 3.637 223 3HZ LYS 28 3HZ LYS 28 -15.547 -17.363 2.303 224 H ASN 29 H ASN 29 -10.798 -20.354 5.934 225 HA ASN 29 HA ASN 29 -7.998 -21.301 5.830 226 1HB ASN 29 2HB ASN 29 -9.059 -20.564 8.096 227 2HB ASN 29 1HB ASN 29 -9.965 -22.067 7.982 228 1HD2 ASN 29 1HD2 ASN 29 -8.890 -24.018 8.215 229 2HD2 ASN 29 2HD2 ASN 29 -7.284 -24.124 8.855 230 H SER 30 H SER 30 -10.554 -21.669 4.200 231 HA SER 30 HA SER 30 -10.217 -24.526 3.800 232 1HB SER 30 2HB SER 30 -12.957 -23.278 4.187 233 2HB SER 30 1HB SER 30 -12.627 -24.964 3.778 234 HG SER 30 HG SER 30 -11.210 -24.434 5.920 235 H ASN 31 H ASN 31 -11.204 -25.204 1.724 236 HA ASN 31 HA ASN 31 -11.485 -25.006 -0.516 237 1HB ASN 31 2HB ASN 31 -13.340 -23.489 -0.092 238 2HB ASN 31 1HB ASN 31 -12.229 -22.137 0.104 239 1HD2 ASN 31 1HD2 ASN 31 -13.251 -20.987 -1.545 240 2HD2 ASN 31 2HD2 ASN 31 -13.034 -21.401 -3.210 241 H HIS 32 H HIS 32 -9.737 -25.237 -1.677 242 HA HIS 32 HA HIS 32 -7.363 -23.762 -1.145 243 1HB HIS 32 2HB HIS 32 -7.402 -26.146 -1.872 244 2HB HIS 32 1HB HIS 32 -7.943 -25.623 -3.463 245 HD1 HIS 32 1HD HIS 32 -6.160 -25.026 -5.117 246 HD2 HIS 32 2HD HIS 32 -4.717 -25.213 -1.214 247 HE1 HIS 32 1HE HIS 32 -3.662 -24.772 -5.297 248 HE2 HIS 32 2HE HIS 32 -2.801 -24.909 -2.933 249 H SER 33 H SER 33 -8.148 -21.595 -1.533 250 HA SER 33 HA SER 33 -7.903 -20.895 -4.388 251 1HB SER 33 2HB SER 33 -9.452 -19.411 -2.249 252 2HB SER 33 1HB SER 33 -9.296 -18.919 -3.935 253 HG SER 33 HG SER 33 -10.220 -21.502 -3.428 254 H TYR 34 H TYR 34 -6.154 -21.127 -1.814 255 HA TYR 34 HA TYR 34 -4.589 -18.726 -2.391 256 1HB TYR 34 2HB TYR 34 -4.031 -18.563 0.050 257 2HB TYR 34 1HB TYR 34 -5.708 -18.188 -0.323 258 HD1 TYR 34 1HD TYR 34 -3.447 -20.545 1.334 259 HD2 TYR 34 2HD TYR 34 -7.501 -19.681 0.380 260 HE1 TYR 34 1HE TYR 34 -4.187 -22.192 3.002 261 HE2 TYR 34 2HE TYR 34 -8.248 -21.324 2.046 262 HH TYR 34 HH TYR 34 -6.128 -22.709 4.347 263 H ASP 35 H ASP 35 -2.372 -19.048 -2.359 264 HA ASP 35 HA ASP 35 -1.065 -21.240 -1.202 265 1HB ASP 35 2HB ASP 35 -2.407 -21.997 -3.519 266 2HB ASP 35 1HB ASP 35 -0.744 -21.755 -4.049 267 H PHE 36 H PHE 36 -0.044 -20.615 -4.434 268 HA PHE 36 HA PHE 36 1.508 -18.276 -3.923 269 1HB PHE 36 2HB PHE 36 2.628 -20.781 -3.103 270 2HB PHE 36 1HB PHE 36 3.535 -20.190 -4.491 271 HD1 PHE 36 1HD PHE 36 3.101 -19.978 -0.982 272 HD2 PHE 36 2HD PHE 36 4.363 -17.754 -4.382 273 HE1 PHE 36 1HE PHE 36 4.353 -18.452 0.486 274 HE2 PHE 36 2HE PHE 36 5.618 -16.223 -2.920 275 HZ PHE 36 HZ PHE 36 5.616 -16.571 -0.484 276 H PHE 37 H PHE 37 2.994 -17.812 -5.728 277 HA PHE 37 HA PHE 37 3.715 -17.732 -7.849 278 1HB PHE 37 2HB PHE 37 2.731 -20.571 -7.892 279 2HB PHE 37 1HB PHE 37 3.485 -19.805 -9.289 280 HD1 PHE 37 1HD PHE 37 5.796 -18.731 -8.907 281 HD2 PHE 37 2HD PHE 37 4.057 -21.606 -6.299 282 HE1 PHE 37 1HE PHE 37 8.026 -19.268 -8.015 283 HE2 PHE 37 2HE PHE 37 6.281 -22.143 -5.400 284 HZ PHE 37 HZ PHE 37 8.270 -20.975 -6.259 285 H GLU 38 H GLU 38 0.642 -19.551 -8.178 286 HA GLU 38 HA GLU 38 0.037 -18.471 -10.681 287 1HB GLU 38 2HB GLU 38 -1.892 -19.531 -8.617 288 2HB GLU 38 1HB GLU 38 -2.240 -19.307 -10.327 289 1HG GLU 38 2HG GLU 38 -0.290 -20.884 -10.760 290 2HG GLU 38 1HG GLU 38 -0.383 -21.276 -9.043 291 H THR 39 H THR 39 -1.396 -17.544 -7.544 292 HA THR 39 HA THR 39 -2.369 -15.086 -8.742 293 HB THR 39 HB THR 39 -3.905 -16.166 -7.244 294 HG1 THR 39 1HG THR 39 -3.797 -13.832 -7.150 295 1HG2 THR 39 1HG2 THR 39 -2.333 -17.439 -5.893 296 2HG2 THR 39 2HG2 THR 39 -3.415 -16.503 -4.861 297 3HG2 THR 39 3HG2 THR 39 -1.760 -15.954 -5.132 298 H ILE 40 H ILE 40 0.185 -16.182 -6.627 299 HA ILE 40 HA ILE 40 0.929 -13.451 -5.949 300 HB ILE 40 HB ILE 40 2.313 -16.019 -5.139 301 1HG1 ILE 40 2HG1 ILE 40 0.267 -14.366 -3.638 302 2HG1 ILE 40 1HG1 ILE 40 -0.005 -15.966 -4.316 303 1HG2 ILE 40 1HG2 ILE 40 3.742 -14.058 -4.980 304 2HG2 ILE 40 2HG2 ILE 40 3.304 -14.629 -3.370 305 3HG2 ILE 40 3HG2 ILE 40 2.506 -13.210 -4.050 306 1HD1 ILE 40 1HD1 ILE 40 0.347 -16.102 -1.931 307 2HD1 ILE 40 2HD1 ILE 40 1.896 -15.274 -2.087 308 3HD1 ILE 40 3HD1 ILE 40 1.679 -16.878 -2.785 309 H LYS 41 H LYS 41 1.268 -13.041 -8.262 310 HA LYS 41 HA LYS 41 4.048 -13.040 -8.831 311 1HB LYS 41 2HB LYS 41 3.799 -15.221 -9.656 312 2HB LYS 41 1HB LYS 41 2.277 -14.859 -10.440 313 1HG LYS 41 2HG LYS 41 3.399 -13.572 -12.134 314 2HG LYS 41 1HG LYS 41 4.942 -13.756 -11.294 315 1HD LYS 41 2HD LYS 41 4.753 -15.321 -13.171 316 2HD LYS 41 1HD LYS 41 4.850 -16.171 -11.628 317 1HE LYS 41 2HE LYS 41 3.156 -17.298 -12.744 318 2HE LYS 41 1HE LYS 41 2.276 -16.173 -11.712 319 1HZ LYS 41 1HZ LYS 41 1.274 -16.068 -13.826 320 2HZ LYS 41 2HZ LYS 41 2.763 -15.972 -14.628 321 3HZ LYS 41 3HZ LYS 41 2.212 -14.654 -13.715 322 HA PRO 42 HA PRO 42 1.830 -10.438 -12.208 323 1HB PRO 42 2HB PRO 42 -1.041 -10.614 -11.659 324 2HB PRO 42 1HB PRO 42 -0.184 -10.840 -13.185 325 1HG PRO 42 2HG PRO 42 -1.353 -12.883 -11.868 326 2HG PRO 42 1HG PRO 42 0.120 -13.093 -12.832 327 1HD PRO 42 2HD PRO 42 -0.193 -12.852 -9.866 328 2HD PRO 42 1HD PRO 42 0.863 -13.920 -10.808 329 H ALA 43 H ALA 43 -0.134 -10.714 -9.271 330 HA ALA 43 HA ALA 43 -0.578 -7.953 -8.920 331 1HB ALA 43 1HB ALA 43 -1.263 -8.539 -6.653 332 2HB ALA 43 2HB ALA 43 -0.568 -10.147 -6.851 333 3HB ALA 43 3HB ALA 43 -1.949 -9.657 -7.833 334 H VAL 44 H VAL 44 2.066 -10.057 -8.047 335 HA VAL 44 HA VAL 44 3.276 -8.397 -6.110 336 HB VAL 44 HB VAL 44 4.594 -10.421 -7.936 337 1HG1 VAL 44 1HG1 VAL 44 6.222 -8.899 -6.945 338 2HG1 VAL 44 2HG1 VAL 44 6.356 -10.506 -6.229 339 3HG1 VAL 44 3HG1 VAL 44 5.554 -9.209 -5.343 340 1HG2 VAL 44 1HG2 VAL 44 4.382 -11.947 -6.023 341 2HG2 VAL 44 2HG2 VAL 44 2.811 -11.413 -6.619 342 3HG2 VAL 44 3HG2 VAL 44 3.481 -10.708 -5.147 343 H GLU 45 H GLU 45 3.903 -8.821 -9.587 344 HA GLU 45 HA GLU 45 5.943 -6.961 -9.856 345 1HB GLU 45 2HB GLU 45 3.795 -7.717 -11.842 346 2HB GLU 45 1HB GLU 45 5.278 -6.871 -12.235 347 1HG GLU 45 2HG GLU 45 6.570 -8.824 -11.484 348 2HG GLU 45 1HG GLU 45 5.056 -9.667 -11.157 349 H GLU 46 H GLU 46 2.431 -6.514 -10.199 350 HA GLU 46 HA GLU 46 2.434 -3.833 -10.892 351 1HB GLU 46 2HB GLU 46 0.435 -5.547 -9.437 352 2HB GLU 46 1HB GLU 46 0.120 -3.888 -9.868 353 1HG GLU 46 2HG GLU 46 0.795 -6.060 -11.822 354 2HG GLU 46 1HG GLU 46 -0.833 -5.486 -11.465 355 H ASN 47 H ASN 47 2.027 -5.290 -7.651 356 HA ASN 47 HA ASN 47 1.760 -2.771 -6.381 357 1HB ASN 47 2HB ASN 47 2.179 -5.553 -5.331 358 2HB ASN 47 1HB ASN 47 2.160 -4.161 -4.252 359 1HD2 ASN 47 1HD2 ASN 47 0.289 -6.194 -6.343 360 2HD2 ASN 47 2HD2 ASN 47 -1.263 -5.592 -5.865 361 H ASP 48 H ASP 48 4.529 -4.918 -6.854 362 HA ASP 48 HA ASP 48 6.336 -3.606 -5.164 363 1HB ASP 48 2HB ASP 48 6.941 -5.734 -6.117 364 2HB ASP 48 1HB ASP 48 6.811 -5.096 -7.751 365 H GLU 49 H GLU 49 5.765 -3.117 -8.648 366 HA GLU 49 HA GLU 49 7.514 -0.857 -8.735 367 1HB GLU 49 2HB GLU 49 5.503 -1.867 -10.746 368 2HB GLU 49 1HB GLU 49 6.628 -0.547 -11.039 369 1HG GLU 49 2HG GLU 49 8.457 -2.232 -10.425 370 2HG GLU 49 1HG GLU 49 7.208 -3.456 -10.649 371 H LEU 50 H LEU 50 4.108 -1.347 -8.223 372 HA LEU 50 HA LEU 50 3.195 1.293 -8.544 373 1HB LEU 50 2HB LEU 50 1.846 -0.850 -8.078 374 2HB LEU 50 1HB LEU 50 2.236 -0.590 -6.393 375 HG LEU 50 HG LEU 50 1.135 1.677 -6.592 376 1HD1 LEU 50 1HD1 LEU 50 -0.436 1.980 -8.443 377 2HD1 LEU 50 2HD1 LEU 50 0.154 0.493 -9.188 378 3HD1 LEU 50 3HD1 LEU 50 1.228 1.882 -9.019 379 1HD2 LEU 50 1HD2 LEU 50 -1.125 0.753 -6.409 380 2HD2 LEU 50 2HD2 LEU 50 0.046 -0.222 -5.521 381 3HD2 LEU 50 3HD2 LEU 50 -0.555 -0.774 -7.084 382 H ALA 51 H ALA 51 4.398 -0.424 -5.687 383 HA ALA 51 HA ALA 51 4.371 1.773 -3.930 384 1HB ALA 51 1HB ALA 51 6.153 -0.660 -3.891 385 2HB ALA 51 2HB ALA 51 4.558 -0.526 -3.150 386 3HB ALA 51 3HB ALA 51 5.895 0.452 -2.545 387 H ALA 52 H ALA 52 6.865 0.545 -6.121 388 HA ALA 52 HA ALA 52 8.929 2.305 -5.365 389 1HB ALA 52 1HB ALA 52 8.441 1.058 -8.070 390 2HB ALA 52 2HB ALA 52 9.297 0.300 -6.727 391 3HB ALA 52 3HB ALA 52 9.963 1.740 -7.495 392 H ARG 53 H ARG 53 6.448 2.582 -7.896 393 HA ARG 53 HA ARG 53 7.300 5.109 -8.823 394 1HB ARG 53 2HB ARG 53 4.921 3.348 -9.178 395 2HB ARG 53 1HB ARG 53 4.824 5.002 -9.714 396 1HG ARG 53 2HG ARG 53 6.852 2.979 -10.617 397 2HG ARG 53 1HG ARG 53 5.444 3.518 -11.532 398 1HD ARG 53 2HD ARG 53 6.359 5.819 -11.497 399 2HD ARG 53 1HD ARG 53 7.800 5.202 -10.689 400 HE ARG 53 HE ARG 53 7.364 3.742 -13.059 401 1HH1 ARG 53 1HH1 ARG 53 8.410 6.924 -11.993 402 2HH1 ARG 53 2HH1 ARG 53 9.332 7.226 -13.432 403 1HH2 ARG 53 1HH2 ARG 53 8.603 4.137 -14.917 404 2HH2 ARG 53 2HH2 ARG 53 9.448 5.648 -15.094 405 H TRP 54 H TRP 54 4.903 4.038 -6.467 406 HA TRP 54 HA TRP 54 3.726 6.564 -5.995 407 1HB TRP 54 2HB TRP 54 2.681 4.413 -5.341 408 2HB TRP 54 1HB TRP 54 3.933 4.189 -4.125 409 HD1 TRP 54 HD TRP 54 0.902 6.425 -4.906 410 HE1 TRP 54 1HE TRP 54 0.071 7.463 -2.703 411 HE3 TRP 54 3HE TRP 54 4.612 4.775 -1.798 412 HZ2 TRP 54 2HZ TRP 54 0.894 7.564 0.005 413 HZ3 TRP 54 3HZ TRP 54 4.515 5.385 0.584 414 HH2 TRP 54 HH TRP 54 2.696 6.752 1.463 415 H ALA 55 H ALA 55 6.368 4.802 -4.416 416 HA ALA 55 HA ALA 55 6.975 6.663 -2.423 417 1HB ALA 55 1HB ALA 55 7.931 4.406 -2.499 418 2HB ALA 55 2HB ALA 55 9.185 5.637 -2.361 419 3HB ALA 55 3HB ALA 55 8.882 4.857 -3.914 420 H GLU 56 H GLU 56 8.219 6.386 -5.740 421 HA GLU 56 HA GLU 56 9.924 8.527 -5.771 422 1HB GLU 56 2HB GLU 56 9.727 6.746 -7.474 423 2HB GLU 56 1HB GLU 56 8.175 7.416 -7.972 424 1HG GLU 56 2HG GLU 56 9.306 9.504 -8.493 425 2HG GLU 56 1HG GLU 56 10.838 8.737 -8.113 426 H GLY 57 H GLY 57 6.474 8.350 -6.628 427 1HA GLY 57 2HA GLY 57 6.159 11.054 -7.326 428 2HA GLY 57 1HA GLY 57 4.866 9.972 -6.826 429 H ALA 58 H ALA 58 5.709 9.392 -4.228 430 HA ALA 58 HA ALA 58 4.750 11.632 -2.806 431 1HB ALA 58 1HB ALA 58 4.480 9.343 -2.005 432 2HB ALA 58 2HB ALA 58 5.279 10.348 -0.796 433 3HB ALA 58 3HB ALA 58 6.221 9.215 -1.765 434 H LEU 59 H LEU 59 8.035 10.289 -3.166 435 HA LEU 59 HA LEU 59 9.358 12.137 -1.542 436 1HB LEU 59 2HB LEU 59 10.235 10.532 -3.929 437 2HB LEU 59 1HB LEU 59 11.329 11.525 -3.003 438 HG LEU 59 HG LEU 59 9.766 9.183 -1.927 439 1HD1 LEU 59 1HD1 LEU 59 11.547 8.514 -3.460 440 2HD1 LEU 59 2HD1 LEU 59 11.922 8.065 -1.797 441 3HD1 LEU 59 3HD1 LEU 59 12.707 9.463 -2.528 442 1HD2 LEU 59 1HD2 LEU 59 11.866 10.908 -0.614 443 2HD2 LEU 59 2HD2 LEU 59 11.132 9.464 0.083 444 3HD2 LEU 59 3HD2 LEU 59 10.145 10.891 -0.228 445 H GLU 60 H GLU 60 8.559 12.184 -4.977 446 HA GLU 60 HA GLU 60 9.797 14.597 -5.679 447 1HB GLU 60 2HB GLU 60 8.739 12.871 -7.214 448 2HB GLU 60 1HB GLU 60 7.179 13.554 -6.776 449 1HG GLU 60 2HG GLU 60 7.819 14.478 -8.861 450 2HG GLU 60 1HG GLU 60 7.972 15.744 -7.643 451 H LEU 61 H LEU 61 6.534 13.914 -4.481 452 HA LEU 61 HA LEU 61 5.513 16.525 -4.622 453 1HB LEU 61 2HB LEU 61 4.107 14.535 -4.416 454 2HB LEU 61 1HB LEU 61 4.724 14.252 -2.800 455 HG LEU 61 HG LEU 61 3.704 16.410 -2.082 456 1HD1 LEU 61 1HD1 LEU 61 2.477 16.352 -4.837 457 2HD1 LEU 61 2HD1 LEU 61 3.655 17.524 -4.245 458 3HD1 LEU 61 3HD1 LEU 61 2.042 17.462 -3.535 459 1HD2 LEU 61 1HD2 LEU 61 1.803 14.419 -3.316 460 2HD2 LEU 61 2HD2 LEU 61 1.412 15.578 -2.045 461 3HD2 LEU 61 3HD2 LEU 61 2.560 14.279 -1.729 462 H ILE 62 H ILE 62 6.910 14.764 -1.837 463 HA ILE 62 HA ILE 62 6.504 16.920 -0.032 464 HB ILE 62 HB ILE 62 7.967 15.727 1.529 465 1HG1 ILE 62 2HG1 ILE 62 8.399 13.761 -0.732 466 2HG1 ILE 62 1HG1 ILE 62 9.606 14.900 -0.142 467 1HG2 ILE 62 1HG2 ILE 62 5.988 13.967 0.086 468 2HG2 ILE 62 2HG2 ILE 62 5.648 15.079 1.412 469 3HG2 ILE 62 3HG2 ILE 62 6.646 13.653 1.693 470 1HD1 ILE 62 1HD1 ILE 62 9.613 13.792 2.018 471 2HD1 ILE 62 2HD1 ILE 62 9.957 12.643 0.727 472 3HD1 ILE 62 3HD1 ILE 62 8.358 12.680 1.472 473 H LYS 63 H LYS 63 8.972 16.283 -2.350 474 HA LYS 63 HA LYS 63 10.970 17.904 -1.099 475 1HB LYS 63 2HB LYS 63 11.553 15.988 -2.499 476 2HB LYS 63 1HB LYS 63 10.723 16.707 -3.865 477 1HG LYS 63 2HG LYS 63 13.017 18.117 -2.576 478 2HG LYS 63 1HG LYS 63 13.290 16.817 -3.735 479 1HD LYS 63 2HD LYS 63 11.766 19.373 -4.206 480 2HD LYS 63 1HD LYS 63 13.325 18.932 -4.869 481 1HE LYS 63 2HE LYS 63 10.708 17.570 -5.440 482 2HE LYS 63 1HE LYS 63 11.583 18.643 -6.530 483 1HZ LYS 63 1HZ LYS 63 12.625 16.044 -5.528 484 2HZ LYS 63 2HZ LYS 63 13.354 17.047 -6.685 485 3HZ LYS 63 3HZ LYS 63 11.885 16.275 -7.038 486 H VAL 64 H VAL 64 8.666 18.218 -3.781 487 HA VAL 64 HA VAL 64 9.417 20.906 -4.411 488 HB VAL 64 HB VAL 64 6.902 19.378 -5.111 489 1HG1 VAL 64 1HG1 VAL 64 6.540 21.796 -5.199 490 2HG1 VAL 64 2HG1 VAL 64 6.539 21.088 -6.815 491 3HG1 VAL 64 3HG1 VAL 64 7.953 21.972 -6.240 492 1HG2 VAL 64 1HG2 VAL 64 9.382 19.948 -6.731 493 2HG2 VAL 64 2HG2 VAL 64 7.944 19.100 -7.301 494 3HG2 VAL 64 3HG2 VAL 64 8.940 18.391 -6.030 495 H ARG 65 H ARG 65 6.649 19.456 -2.717 496 HA ARG 65 HA ARG 65 5.783 22.106 -1.866 497 1HB ARG 65 2HB ARG 65 4.520 19.383 -1.517 498 2HB ARG 65 1HB ARG 65 3.818 20.884 -0.931 499 1HG ARG 65 2HG ARG 65 4.348 20.162 -3.808 500 2HG ARG 65 1HG ARG 65 2.776 20.217 -3.005 501 1HD ARG 65 2HD ARG 65 3.333 22.661 -2.497 502 2HD ARG 65 1HD ARG 65 4.612 22.487 -3.697 503 HE ARG 65 HE ARG 65 2.438 21.608 -5.032 504 1HH1 ARG 65 1HH1 ARG 65 3.103 24.503 -3.178 505 2HH1 ARG 65 2HH1 ARG 65 1.952 25.482 -4.026 506 1HH2 ARG 65 1HH2 ARG 65 0.933 22.883 -6.178 507 2HH2 ARG 65 2HH2 ARG 65 0.733 24.564 -5.755 508 H ARG 66 H ARG 66 5.496 19.165 0.042 509 HA ARG 66 HA ARG 66 7.370 19.630 2.041 510 1HB ARG 66 2HB ARG 66 5.932 20.668 3.792 511 2HB ARG 66 1HB ARG 66 6.271 21.760 2.456 512 1HG ARG 66 2HG ARG 66 4.066 21.223 1.492 513 2HG ARG 66 1HG ARG 66 3.725 20.210 2.895 514 1HD ARG 66 2HD ARG 66 3.801 22.101 4.357 515 2HD ARG 66 1HD ARG 66 4.387 23.142 3.056 516 HE ARG 66 HE ARG 66 2.014 22.176 2.120 517 1HH1 ARG 66 1HH1 ARG 66 2.954 23.875 5.043 518 2HH1 ARG 66 2HH1 ARG 66 1.431 24.701 5.178 519 1HH2 ARG 66 1HH2 ARG 66 0.053 23.269 2.297 520 2HH2 ARG 66 2HH2 ARG 66 -0.208 24.367 3.629 521 HA PRO 67 HA PRO 67 5.103 16.005 3.527 522 1HB PRO 67 2HB PRO 67 6.508 16.099 6.040 523 2HB PRO 67 1HB PRO 67 6.782 15.003 4.685 524 1HG PRO 67 2HG PRO 67 8.561 16.932 5.506 525 2HG PRO 67 1HG PRO 67 8.505 16.260 3.867 526 1HD PRO 67 2HD PRO 67 7.397 18.840 4.900 527 2HD PRO 67 1HD PRO 67 8.193 18.495 3.349 528 H LYS 68 H LYS 68 3.026 16.508 4.042 529 HA LYS 68 HA LYS 68 2.496 18.541 6.070 530 1HB LYS 68 2HB LYS 68 1.327 18.158 3.727 531 2HB LYS 68 1HB LYS 68 0.343 17.028 4.641 532 1HG LYS 68 2HG LYS 68 0.684 19.833 5.603 533 2HG LYS 68 1HG LYS 68 -0.457 19.466 4.311 534 1HD LYS 68 2HD LYS 68 -1.485 17.758 5.826 535 2HD LYS 68 1HD LYS 68 -0.443 18.366 7.115 536 1HE LYS 68 2HE LYS 68 -1.444 20.551 6.960 537 2HE LYS 68 1HE LYS 68 -2.389 20.060 5.557 538 1HZ LYS 68 1HZ LYS 68 -2.664 18.935 8.296 539 2HZ LYS 68 2HZ LYS 68 -3.593 18.497 6.945 540 3HZ LYS 68 3HZ LYS 68 -3.711 20.062 7.586 541 H TYR 69 H TYR 69 1.979 15.092 5.507 542 HA TYR 69 HA TYR 69 1.565 14.777 8.412 543 1HB TYR 69 2HB TYR 69 0.300 13.046 6.288 544 2HB TYR 69 1HB TYR 69 0.077 12.900 8.023 545 HD1 TYR 69 1HD TYR 69 -1.255 14.632 9.234 546 HD2 TYR 69 2HD TYR 69 -0.989 14.530 4.994 547 HE1 TYR 69 1HE TYR 69 -3.272 16.034 9.076 548 HE2 TYR 69 2HE TYR 69 -2.996 15.927 4.822 549 HH TYR 69 HH TYR 69 -4.885 16.579 6.043 550 H VAL 70 H VAL 70 2.366 13.101 5.397 551 HA VAL 70 HA VAL 70 3.527 10.847 6.654 552 HB VAL 70 HB VAL 70 2.574 10.870 4.353 553 1HG1 VAL 70 1HG1 VAL 70 3.519 12.950 3.537 554 2HG1 VAL 70 2HG1 VAL 70 3.986 11.613 2.486 555 3HG1 VAL 70 3HG1 VAL 70 5.146 12.275 3.639 556 1HG2 VAL 70 1HG2 VAL 70 3.954 9.015 5.093 557 2HG2 VAL 70 2HG2 VAL 70 5.409 9.870 4.579 558 3HG2 VAL 70 3HG2 VAL 70 4.225 9.345 3.382 559 H HIS 71 H HIS 71 5.615 10.222 6.926 560 HA HIS 71 HA HIS 71 7.651 12.331 6.751 561 1HB HIS 71 2HB HIS 71 7.611 9.766 8.365 562 2HB HIS 71 1HB HIS 71 8.958 10.899 8.320 563 HD1 HIS 71 1HD HIS 71 5.367 10.676 9.472 564 HD2 HIS 71 2HD HIS 71 8.754 13.015 10.039 565 HE1 HIS 71 1HE HIS 71 4.798 12.245 11.348 566 HE2 HIS 71 2HE HIS 71 6.957 13.431 11.851 567 H LYS 72 H LYS 72 9.765 11.720 5.964 568 HA LYS 72 HA LYS 72 9.640 10.363 3.507 569 1HB LYS 72 2HB LYS 72 11.243 12.191 4.190 570 2HB LYS 72 1HB LYS 72 12.119 10.992 5.121 571 1HG LYS 72 2HG LYS 72 11.654 10.648 2.183 572 2HG LYS 72 1HG LYS 72 12.989 11.619 2.798 573 1HD LYS 72 2HD LYS 72 13.647 9.585 4.165 574 2HD LYS 72 1HD LYS 72 12.491 8.678 3.188 575 1HE LYS 72 2HE LYS 72 14.767 8.488 2.308 576 2HE LYS 72 1HE LYS 72 13.694 9.296 1.163 577 1HZ LYS 72 1HZ LYS 72 14.635 11.376 1.648 578 2HZ LYS 72 2HZ LYS 72 15.963 10.328 1.523 579 3HZ LYS 72 3HZ LYS 72 15.404 10.807 3.049 580 H GLU 73 H GLU 73 10.768 9.408 6.703 581 HA GLU 73 HA GLU 73 11.892 6.924 6.094 582 1HB GLU 73 2HB GLU 73 10.328 7.435 8.613 583 2HB GLU 73 1HB GLU 73 11.728 6.398 8.394 584 1HG GLU 73 2HG GLU 73 12.653 8.172 9.485 585 2HG GLU 73 1HG GLU 73 12.933 8.633 7.809 586 H GLN 74 H GLN 74 8.556 7.828 6.820 587 HA GLN 74 HA GLN 74 7.430 5.284 6.985 588 1HB GLN 74 2HB GLN 74 6.303 7.952 6.165 589 2HB GLN 74 1HB GLN 74 5.307 6.508 6.218 590 1HG GLN 74 2HG GLN 74 5.792 6.254 8.596 591 2HG GLN 74 1HG GLN 74 6.803 7.700 8.542 592 1HE2 GLN 74 1HE2 GLN 74 3.537 6.477 8.321 593 2HE2 GLN 74 2HE2 GLN 74 2.751 7.987 8.606 594 H ILE 75 H ILE 75 7.938 7.386 4.188 595 HA ILE 75 HA ILE 75 6.434 5.930 2.339 596 HB ILE 75 HB ILE 75 8.905 7.580 1.786 597 1HG1 ILE 75 2HG1 ILE 75 5.989 8.392 1.853 598 2HG1 ILE 75 1HG1 ILE 75 7.177 8.791 3.086 599 1HG2 ILE 75 1HG2 ILE 75 8.258 6.189 -0.107 600 2HG2 ILE 75 2HG2 ILE 75 7.928 7.888 -0.445 601 3HG2 ILE 75 3HG2 ILE 75 6.608 6.801 -0.011 602 1HD1 ILE 75 1HD1 ILE 75 7.241 9.694 0.217 603 2HD1 ILE 75 2HD1 ILE 75 8.434 10.094 1.455 604 3HD1 ILE 75 3HD1 ILE 75 6.773 10.669 1.611 605 H GLU 76 H GLU 76 9.821 5.599 3.297 606 HA GLU 76 HA GLU 76 10.367 3.558 1.354 607 1HB GLU 76 2HB GLU 76 11.943 4.249 3.841 608 2HB GLU 76 1HB GLU 76 12.520 3.334 2.455 609 1HG GLU 76 2HG GLU 76 12.186 5.357 1.053 610 2HG GLU 76 1HG GLU 76 11.774 6.249 2.515 611 H ALA 77 H ALA 77 9.490 3.670 4.750 612 HA ALA 77 HA ALA 77 9.852 0.924 5.310 613 1HB ALA 77 1HB ALA 77 8.057 2.933 6.660 614 2HB ALA 77 2HB ALA 77 9.745 2.612 7.061 615 3HB ALA 77 3HB ALA 77 8.525 1.365 7.315 616 H VAL 78 H VAL 78 7.115 2.784 4.067 617 HA VAL 78 HA VAL 78 5.129 0.831 4.426 618 HB VAL 78 HB VAL 78 5.331 3.075 2.412 619 1HG1 VAL 78 1HG1 VAL 78 2.944 2.719 1.942 620 2HG1 VAL 78 2HG1 VAL 78 2.975 1.256 2.926 621 3HG1 VAL 78 3HG1 VAL 78 3.919 1.337 1.439 622 1HG2 VAL 78 1HG2 VAL 78 3.695 2.698 4.919 623 2HG2 VAL 78 2HG2 VAL 78 3.600 4.089 3.838 624 3HG2 VAL 78 3HG2 VAL 78 5.088 3.763 4.728 625 H LYS 79 H LYS 79 7.380 1.360 1.722 626 HA LYS 79 HA LYS 79 6.301 -0.538 -0.028 627 1HB LYS 79 2HB LYS 79 8.062 1.040 -0.710 628 2HB LYS 79 1HB LYS 79 9.215 0.212 0.329 629 1HG LYS 79 2HG LYS 79 8.883 -1.841 -1.021 630 2HG LYS 79 1HG LYS 79 7.849 -0.914 -2.108 631 1HD LYS 79 2HD LYS 79 9.722 0.572 -2.621 632 2HD LYS 79 1HD LYS 79 10.752 -0.340 -1.516 633 1HE LYS 79 2HE LYS 79 10.387 -2.356 -2.896 634 2HE LYS 79 1HE LYS 79 9.447 -1.384 -4.026 635 1HZ LYS 79 1HZ LYS 79 11.699 -1.655 -4.806 636 2HZ LYS 79 2HZ LYS 79 12.321 -1.010 -3.365 637 3HZ LYS 79 3HZ LYS 79 11.428 -0.025 -4.420 638 H ASP 80 H ASP 80 8.818 -0.891 2.436 639 HA ASP 80 HA ASP 80 9.328 -3.624 2.103 640 1HB ASP 80 2HB ASP 80 10.812 -2.193 3.386 641 2HB ASP 80 1HB ASP 80 9.545 -1.871 4.562 642 H ASN 81 H ASN 81 7.149 -1.961 4.338 643 HA ASN 81 HA ASN 81 6.227 -4.303 5.623 644 1HB ASN 81 2HB ASN 81 5.327 -1.450 5.531 645 2HB ASN 81 1HB ASN 81 4.314 -2.654 6.311 646 1HD2 ASN 81 1HD2 ASN 81 7.332 -0.934 6.420 647 2HD2 ASN 81 2HD2 ASN 81 7.760 -1.374 8.045 648 H PHE 82 H PHE 82 4.979 -2.428 2.910 649 HA PHE 82 HA PHE 82 2.451 -3.701 2.788 650 1HB PHE 82 2HB PHE 82 3.009 -1.488 1.745 651 2HB PHE 82 1HB PHE 82 3.941 -2.350 0.528 652 HD1 PHE 82 1HD PHE 82 2.921 -2.908 -1.450 653 HD2 PHE 82 2HD PHE 82 0.523 -2.296 2.008 654 HE1 PHE 82 1HE PHE 82 0.891 -3.188 -2.810 655 HE2 PHE 82 2HE PHE 82 -1.510 -2.573 0.656 656 HZ PHE 82 HZ PHE 82 -1.328 -3.020 -1.757 657 H LEU 83 H LEU 83 5.526 -4.273 1.118 658 HA LEU 83 HA LEU 83 4.594 -6.346 -0.540 659 1HB LEU 83 2HB LEU 83 7.336 -5.674 0.506 660 2HB LEU 83 1HB LEU 83 7.053 -7.016 -0.583 661 HG LEU 83 HG LEU 83 6.469 -4.116 -1.195 662 1HD1 LEU 83 1HD1 LEU 83 8.640 -5.953 -2.189 663 2HD1 LEU 83 2HD1 LEU 83 8.850 -4.566 -1.121 664 3HD1 LEU 83 3HD1 LEU 83 8.321 -4.324 -2.785 665 1HD2 LEU 83 1HD2 LEU 83 6.249 -6.575 -2.925 666 2HD2 LEU 83 2HD2 LEU 83 6.044 -4.910 -3.471 667 3HD2 LEU 83 3HD2 LEU 83 4.907 -5.605 -2.315 668 H GLU 84 H GLU 84 6.075 -6.412 2.692 669 HA GLU 84 HA GLU 84 6.007 -9.199 3.047 670 1HB GLU 84 2HB GLU 84 5.782 -6.963 5.069 671 2HB GLU 84 1HB GLU 84 5.968 -8.657 5.499 672 1HG GLU 84 2HG GLU 84 7.936 -7.003 3.935 673 2HG GLU 84 1HG GLU 84 8.077 -7.466 5.629 674 H LEU 85 H LEU 85 3.592 -6.698 3.609 675 HA LEU 85 HA LEU 85 1.631 -8.239 4.879 676 1HB LEU 85 2HB LEU 85 1.701 -5.734 4.629 677 2HB LEU 85 1HB LEU 85 1.180 -5.936 2.971 678 HG LEU 85 HG LEU 85 -0.476 -6.985 5.258 679 1HD1 LEU 85 1HD1 LEU 85 -0.049 -4.615 5.689 680 2HD1 LEU 85 2HD1 LEU 85 -1.727 -4.899 5.228 681 3HD1 LEU 85 3HD1 LEU 85 -0.596 -4.220 4.058 682 1HD2 LEU 85 1HD2 LEU 85 -1.185 -6.069 2.470 683 2HD2 LEU 85 2HD2 LEU 85 -2.306 -6.710 3.673 684 3HD2 LEU 85 3HD2 LEU 85 -1.047 -7.747 3.001 685 H VAL 86 H VAL 86 2.008 -7.434 1.427 686 HA VAL 86 HA VAL 86 -0.174 -8.953 0.512 687 HB VAL 86 HB VAL 86 2.351 -8.213 -0.985 688 1HG1 VAL 86 1HG1 VAL 86 1.149 -10.034 -2.085 689 2HG1 VAL 86 2HG1 VAL 86 1.035 -8.541 -3.016 690 3HG1 VAL 86 3HG1 VAL 86 -0.337 -9.082 -2.049 691 1HG2 VAL 86 1HG2 VAL 86 1.003 -6.355 -1.867 692 2HG2 VAL 86 2HG2 VAL 86 1.191 -6.266 -0.116 693 3HG2 VAL 86 3HG2 VAL 86 -0.326 -6.835 -0.811 694 H LEU 87 H LEU 87 3.262 -9.778 0.816 695 HA LEU 87 HA LEU 87 3.161 -12.320 -0.354 696 1HB LEU 87 2HB LEU 87 5.238 -11.122 0.140 697 2HB LEU 87 1HB LEU 87 4.948 -11.300 1.857 698 HG LEU 87 HG LEU 87 5.112 -13.782 1.559 699 1HD1 LEU 87 1HD1 LEU 87 6.179 -14.613 -0.488 700 2HD1 LEU 87 2HD1 LEU 87 6.041 -13.006 -1.199 701 3HD1 LEU 87 3HD1 LEU 87 4.588 -13.921 -0.801 702 1HD2 LEU 87 1HD2 LEU 87 6.986 -12.488 2.402 703 2HD2 LEU 87 2HD2 LEU 87 7.507 -12.136 0.756 704 3HD2 LEU 87 3HD2 LEU 87 7.559 -13.792 1.360 705 H GLN 88 H GLN 88 2.689 -11.314 3.007 706 HA GLN 88 HA GLN 88 2.270 -14.085 3.807 707 1HB GLN 88 2HB GLN 88 2.363 -11.542 5.434 708 2HB GLN 88 1HB GLN 88 2.225 -13.166 6.096 709 1HG GLN 88 2HG GLN 88 4.395 -13.756 5.282 710 2HG GLN 88 1HG GLN 88 4.523 -12.242 4.390 711 1HE2 GLN 88 1HE2 GLN 88 4.930 -10.345 5.494 712 2HE2 GLN 88 2HE2 GLN 88 5.529 -10.330 7.114 713 H SER 89 H SER 89 0.364 -11.956 2.360 714 HA SER 89 HA SER 89 -1.942 -11.893 4.025 715 1HB SER 89 2HB SER 89 -1.544 -10.261 2.197 716 2HB SER 89 1HB SER 89 -1.741 -11.554 1.016 717 HG SER 89 HG SER 89 -3.649 -10.235 1.421 718 H TYR 90 H TYR 90 -0.815 -14.024 1.448 719 HA TYR 90 HA TYR 90 -3.226 -15.609 1.524 720 1HB TYR 90 2HB TYR 90 -0.666 -15.745 -0.024 721 2HB TYR 90 1HB TYR 90 -1.748 -17.133 0.008 722 HD1 TYR 90 1HD TYR 90 -4.081 -16.875 -0.846 723 HD2 TYR 90 2HD TYR 90 -1.139 -13.854 -1.390 724 HE1 TYR 90 1HE TYR 90 -5.436 -15.900 -2.643 725 HE2 TYR 90 2HE TYR 90 -2.492 -12.860 -3.196 726 HH TYR 90 HH TYR 90 -4.260 -13.691 -4.845 727 H VAL 91 H VAL 91 0.201 -16.208 2.312 728 HA VAL 91 HA VAL 91 -0.354 -18.816 3.338 729 HB VAL 91 HB VAL 91 2.014 -18.805 4.090 730 1HG1 VAL 91 1HG1 VAL 91 2.984 -18.732 1.851 731 2HG1 VAL 91 2HG1 VAL 91 1.562 -17.871 1.262 732 3HG1 VAL 91 3HG1 VAL 91 1.409 -19.529 1.843 733 1HG2 VAL 91 1HG2 VAL 91 2.230 -16.438 4.640 734 2HG2 VAL 91 2HG2 VAL 91 2.033 -16.015 2.939 735 3HG2 VAL 91 3HG2 VAL 91 3.454 -16.918 3.463 736 H HIS 92 H HIS 92 -0.304 -15.651 4.713 737 HA HIS 92 HA HIS 92 -0.562 -14.833 6.804 738 1HB HIS 92 2HB HIS 92 -1.929 -17.499 7.167 739 2HB HIS 92 1HB HIS 92 -1.928 -16.241 8.399 740 HD1 HIS 92 1HD HIS 92 -4.275 -17.474 6.291 741 HD2 HIS 92 2HD HIS 92 -2.661 -13.660 6.623 742 HE1 HIS 92 1HE HIS 92 -5.980 -15.928 5.287 743 HE2 HIS 92 2HE HIS 92 -4.856 -13.676 5.268 744 H HIS 93 H HIS 93 1.912 -15.370 6.545 745 HA HIS 93 HA HIS 93 2.993 -17.233 8.413 746 1HB HIS 93 2HB HIS 93 4.307 -16.491 6.502 747 2HB HIS 93 1HB HIS 93 4.230 -14.823 7.056 748 HD1 HIS 93 1HD HIS 93 5.556 -18.154 8.384 749 HD2 HIS 93 2HD HIS 93 6.434 -14.086 8.420 750 HE1 HIS 93 1HE HIS 93 7.740 -17.934 9.619 751 HE2 HIS 93 2HE HIS 93 8.332 -15.486 9.476 752 H ILE 94 H ILE 94 1.676 -14.088 8.636 753 HA ILE 94 HA ILE 94 2.359 -14.051 11.489 754 HB ILE 94 HB ILE 94 2.118 -11.516 11.344 755 1HG1 ILE 94 2HG1 ILE 94 2.672 -12.063 8.413 756 2HG1 ILE 94 1HG1 ILE 94 1.150 -11.458 9.059 757 1HG2 ILE 94 1HG2 ILE 94 4.486 -12.834 10.020 758 2HG2 ILE 94 2HG2 ILE 94 4.241 -12.625 11.754 759 3HG2 ILE 94 3HG2 ILE 94 4.468 -11.214 10.720 760 1HD1 ILE 94 1HD1 ILE 94 2.506 -9.679 8.085 761 2HD1 ILE 94 2HD1 ILE 94 3.805 -10.044 9.219 762 3HD1 ILE 94 3HD1 ILE 94 2.262 -9.434 9.814 763 H HIS 95 H HIS 95 0.488 -14.901 12.256 764 HA HIS 95 HA HIS 95 -1.979 -13.484 11.506 765 1HB HIS 95 2HB HIS 95 -3.231 -15.460 12.368 766 2HB HIS 95 1HB HIS 95 -2.219 -15.816 10.977 767 HD1 HIS 95 1HD HIS 95 -2.728 -16.679 14.564 768 HD2 HIS 95 2HD HIS 95 -0.007 -17.507 11.522 769 HE1 HIS 95 1HE HIS 95 -1.384 -18.651 15.365 770 HE2 HIS 95 2HE HIS 95 0.231 -19.160 13.501 771 H LYS 96 H LYS 96 -1.199 -11.816 12.942 772 HA LYS 96 HA LYS 96 -2.391 -11.961 15.515 773 1HB LYS 96 2HB LYS 96 -0.011 -13.141 15.639 774 2HB LYS 96 1HB LYS 96 0.562 -11.481 15.707 775 1HG LYS 96 2HG LYS 96 0.324 -12.384 17.940 776 2HG LYS 96 1HG LYS 96 -0.845 -11.085 17.679 777 1HD LYS 96 2HD LYS 96 -2.544 -12.826 17.135 778 2HD LYS 96 1HD LYS 96 -1.366 -14.055 17.596 779 1HE LYS 96 2HE LYS 96 -2.328 -11.853 19.414 780 2HE LYS 96 1HE LYS 96 -3.010 -13.476 19.380 781 1HZ LYS 96 1HZ LYS 96 -0.947 -14.385 20.115 782 2HZ LYS 96 2HZ LYS 96 -1.343 -13.103 21.149 783 3HZ LYS 96 3HZ LYS 96 -0.154 -12.895 19.961 784 H LYS 97 H LYS 97 -0.861 -9.860 16.707 785 HA LYS 97 HA LYS 97 -2.114 -7.640 15.558 786 1HB LYS 97 2HB LYS 97 0.206 -7.802 17.477 787 2HB LYS 97 1HB LYS 97 -0.585 -6.297 17.032 788 1HG LYS 97 2HG LYS 97 -2.702 -7.175 17.932 789 2HG LYS 97 1HG LYS 97 -1.849 -8.636 18.443 790 1HD LYS 97 2HD LYS 97 -0.394 -7.312 19.867 791 2HD LYS 97 1HD LYS 97 -1.176 -5.830 19.317 792 1HE LYS 97 2HE LYS 97 -3.294 -6.608 20.279 793 2HE LYS 97 1HE LYS 97 -2.485 -8.067 20.856 794 1HZ LYS 97 1HZ LYS 97 -1.047 -6.705 22.216 795 2HZ LYS 97 2HZ LYS 97 -2.669 -6.384 22.593 796 3HZ LYS 97 3HZ LYS 97 -1.784 -5.290 21.643 797 H ARG 98 H ARG 98 1.004 -9.059 14.967 798 HA ARG 98 HA ARG 98 2.433 -6.949 13.910 799 1HB ARG 98 2HB ARG 98 3.181 -9.360 14.311 800 2HB ARG 98 1HB ARG 98 2.501 -9.721 12.730 801 1HG ARG 98 2HG ARG 98 4.897 -9.355 12.588 802 2HG ARG 98 1HG ARG 98 4.019 -8.108 11.699 803 1HD ARG 98 2HD ARG 98 5.922 -7.256 13.087 804 2HD ARG 98 1HD ARG 98 4.361 -6.514 13.440 805 HE ARG 98 HE ARG 98 4.881 -8.758 15.128 806 1HH1 ARG 98 1HH1 ARG 98 5.681 -5.372 14.663 807 2HH1 ARG 98 2HH1 ARG 98 5.946 -5.081 16.362 808 1HH2 ARG 98 1HH2 ARG 98 5.191 -8.370 17.343 809 2HH2 ARG 98 2HH2 ARG 98 5.663 -6.788 17.885 810 H PHE 99 H PHE 99 0.177 -9.112 12.209 811 HA PHE 99 HA PHE 99 0.544 -7.931 9.660 812 1HB PHE 99 2HB PHE 99 -0.424 -10.204 10.059 813 2HB PHE 99 1HB PHE 99 -1.881 -9.432 10.674 814 HD1 PHE 99 1HD PHE 99 -3.469 -8.411 9.190 815 HD2 PHE 99 2HD PHE 99 0.143 -10.091 7.685 816 HE1 PHE 99 1HE PHE 99 -4.376 -8.301 6.904 817 HE2 PHE 99 2HE PHE 99 -0.756 -9.980 5.398 818 HZ PHE 99 HZ PHE 99 -3.015 -9.087 5.004 819 H LYS 100 H LYS 100 -1.737 -7.375 12.292 820 HA LYS 100 HA LYS 100 -3.424 -5.570 10.933 821 1HB LYS 100 2HB LYS 100 -2.838 -5.742 13.896 822 2HB LYS 100 1HB LYS 100 -4.210 -4.931 13.161 823 1HG LYS 100 2HG LYS 100 -4.946 -7.120 12.252 824 2HG LYS 100 1HG LYS 100 -3.644 -7.881 13.168 825 1HD LYS 100 2HD LYS 100 -5.696 -8.049 14.421 826 2HD LYS 100 1HD LYS 100 -4.607 -6.929 15.242 827 1HE LYS 100 2HE LYS 100 -5.806 -5.038 14.261 828 2HE LYS 100 1HE LYS 100 -6.886 -6.149 13.422 829 1HZ LYS 100 1HZ LYS 100 -6.655 -5.722 16.350 830 2HZ LYS 100 2HZ LYS 100 -7.522 -7.009 15.664 831 3HZ LYS 100 3HZ LYS 100 -7.999 -5.409 15.358 832 H ASP 101 H ASP 101 -0.662 -5.060 13.104 833 HA ASP 101 HA ASP 101 -0.726 -2.249 13.129 834 1HB ASP 101 2HB ASP 101 0.593 -3.726 14.680 835 2HB ASP 101 1HB ASP 101 1.733 -3.994 13.370 836 H ILE 102 H ILE 102 1.025 -4.513 11.033 837 HA ILE 102 HA ILE 102 2.338 -2.655 9.410 838 HB ILE 102 HB ILE 102 1.261 -5.403 8.761 839 1HG1 ILE 102 2HG1 ILE 102 4.065 -4.373 9.237 840 2HG1 ILE 102 1HG1 ILE 102 3.101 -5.275 10.400 841 1HG2 ILE 102 1HG2 ILE 102 2.677 -5.323 6.736 842 2HG2 ILE 102 2HG2 ILE 102 2.981 -3.615 7.047 843 3HG2 ILE 102 3HG2 ILE 102 1.347 -4.167 6.686 844 1HD1 ILE 102 1HD1 ILE 102 3.110 -7.206 8.902 845 2HD1 ILE 102 2HD1 ILE 102 4.746 -6.698 9.328 846 3HD1 ILE 102 3HD1 ILE 102 4.081 -6.296 7.744 847 H THR 103 H THR 103 -0.872 -4.141 8.993 848 HA THR 103 HA THR 103 -1.646 -2.789 6.686 849 HB THR 103 HB THR 103 -3.442 -3.622 8.979 850 HG1 THR 103 1HG THR 103 -2.238 -5.409 8.291 851 1HG2 THR 103 1HG2 THR 103 -4.551 -2.190 7.329 852 2HG2 THR 103 2HG2 THR 103 -5.162 -3.843 7.250 853 3HG2 THR 103 3HG2 THR 103 -4.022 -3.266 6.035 854 H GLU 104 H GLU 104 -2.060 -1.908 10.092 855 HA GLU 104 HA GLU 104 -3.443 0.492 9.788 856 1HB GLU 104 2HB GLU 104 -1.454 -0.414 11.877 857 2HB GLU 104 1HB GLU 104 -2.390 1.061 12.023 858 1HG GLU 104 2HG GLU 104 -3.565 -1.692 11.764 859 2HG GLU 104 1HG GLU 104 -3.327 -0.836 13.286 860 H SER 105 H SER 105 0.053 -0.094 9.992 861 HA SER 105 HA SER 105 0.870 2.579 9.833 862 1HB SER 105 2HB SER 105 2.340 0.104 8.894 863 2HB SER 105 1HB SER 105 3.072 1.677 9.222 864 HG SER 105 HG SER 105 1.797 -0.067 11.076 865 H VAL 106 H VAL 106 0.312 0.179 7.279 866 HA VAL 106 HA VAL 106 1.157 1.837 5.139 867 HB VAL 106 HB VAL 106 -0.741 -0.518 5.098 868 1HG1 VAL 106 1HG1 VAL 106 0.715 0.845 2.837 869 2HG1 VAL 106 2HG1 VAL 106 -1.026 0.861 3.116 870 3HG1 VAL 106 3HG1 VAL 106 -0.212 -0.649 2.704 871 1HG2 VAL 106 1HG2 VAL 106 1.206 -1.797 4.354 872 2HG2 VAL 106 2HG2 VAL 106 1.482 -1.081 5.943 873 3HG2 VAL 106 3HG2 VAL 106 2.213 -0.358 4.511 874 H LEU 107 H LEU 107 -2.089 1.024 6.376 875 HA LEU 107 HA LEU 107 -3.547 2.619 4.604 876 1HB LEU 107 2HB LEU 107 -4.113 1.560 7.347 877 2HB LEU 107 1HB LEU 107 -5.259 2.617 6.555 878 HG LEU 107 HG LEU 107 -4.306 -0.044 5.484 879 1HD1 LEU 107 1HD1 LEU 107 -6.954 0.769 6.670 880 2HD1 LEU 107 2HD1 LEU 107 -5.752 -0.270 7.434 881 3HD1 LEU 107 3HD1 LEU 107 -6.571 -0.802 5.965 882 1HD2 LEU 107 1HD2 LEU 107 -6.082 0.270 3.812 883 2HD2 LEU 107 2HD2 LEU 107 -4.823 1.498 3.687 884 3HD2 LEU 107 3HD2 LEU 107 -6.367 1.895 4.439 885 H TYR 108 H TYR 108 -2.254 3.400 7.819 886 HA TYR 108 HA TYR 108 -3.302 5.982 8.052 887 1HB TYR 108 2HB TYR 108 -2.225 4.815 9.918 888 2HB TYR 108 1HB TYR 108 -0.672 4.897 9.094 889 HD1 TYR 108 1HD TYR 108 0.743 6.719 9.430 890 HD2 TYR 108 2HD TYR 108 -3.348 7.032 10.548 891 HE1 TYR 108 1HE TYR 108 1.216 8.874 10.515 892 HE2 TYR 108 2HE TYR 108 -2.891 9.190 11.637 893 HH TYR 108 HH TYR 108 0.054 10.885 11.201 894 H THR 109 H THR 109 -0.205 4.917 6.686 895 HA THR 109 HA THR 109 0.725 7.488 6.001 896 HB THR 109 HB THR 109 1.446 4.867 4.676 897 HG1 THR 109 1HG THR 109 1.934 4.528 6.772 898 1HG2 THR 109 1HG2 THR 109 2.996 7.443 4.969 899 2HG2 THR 109 2HG2 THR 109 2.243 6.862 3.485 900 3HG2 THR 109 3HG2 THR 109 3.579 5.963 4.204 901 H LEU 110 H LEU 110 -1.040 5.024 4.138 902 HA LEU 110 HA LEU 110 -1.043 6.384 1.682 903 1HB LEU 110 2HB LEU 110 -3.007 4.402 2.823 904 2HB LEU 110 1HB LEU 110 -3.048 4.970 1.166 905 HG LEU 110 HG LEU 110 -0.767 3.449 2.428 906 1HD1 LEU 110 1HD1 LEU 110 -2.739 2.055 2.120 907 2HD1 LEU 110 2HD1 LEU 110 -1.476 1.621 0.967 908 3HD1 LEU 110 3HD1 LEU 110 -2.860 2.578 0.440 909 1HD2 LEU 110 1HD2 LEU 110 0.114 3.326 0.157 910 2HD2 LEU 110 2HD2 LEU 110 -0.032 5.002 0.690 911 3HD2 LEU 110 3HD2 LEU 110 -1.220 4.322 -0.423 912 H HIS 111 H HIS 111 -3.367 6.441 4.363 913 HA HIS 111 HA HIS 111 -5.233 8.167 3.104 914 1HB HIS 111 2HB HIS 111 -4.680 7.599 6.021 915 2HB HIS 111 1HB HIS 111 -5.981 8.648 5.481 916 HD1 HIS 111 1HD HIS 111 -7.389 6.765 6.857 917 HD2 HIS 111 2HD HIS 111 -5.772 5.605 3.201 918 HE1 HIS 111 1HE HIS 111 -8.637 4.687 6.189 919 HE2 HIS 111 2HE HIS 111 -7.808 4.140 3.877 920 H ALA 112 H ALA 112 -2.343 8.706 4.985 921 HA ALA 112 HA ALA 112 -2.687 11.475 5.466 922 1HB ALA 112 1HB ALA 112 -0.325 11.454 6.054 923 2HB ALA 112 2HB ALA 112 -0.139 9.866 5.315 924 3HB ALA 112 3HB ALA 112 -1.146 10.060 6.750 925 H VAL 113 H VAL 113 -0.822 9.706 3.002 926 HA VAL 113 HA VAL 113 0.177 12.043 1.741 927 HB VAL 113 HB VAL 113 -0.090 9.251 0.606 928 1HG1 VAL 113 1HG1 VAL 113 0.216 10.844 -1.177 929 2HG1 VAL 113 2HG1 VAL 113 1.727 9.967 -0.919 930 3HG1 VAL 113 3HG1 VAL 113 1.545 11.612 -0.308 931 1HG2 VAL 113 1HG2 VAL 113 2.241 10.599 1.956 932 2HG2 VAL 113 2HG2 VAL 113 2.242 8.981 1.255 933 3HG2 VAL 113 3HG2 VAL 113 1.235 9.335 2.659 934 H LYS 114 H LYS 114 -2.594 9.959 1.171 935 HA LYS 114 HA LYS 114 -3.516 11.008 -1.235 936 1HB LYS 114 2HB LYS 114 -4.460 9.001 -0.210 937 2HB LYS 114 1HB LYS 114 -5.086 9.953 1.126 938 1HG LYS 114 2HG LYS 114 -6.577 11.131 -0.404 939 2HG LYS 114 1HG LYS 114 -5.943 10.184 -1.752 940 1HD LYS 114 2HD LYS 114 -6.775 8.142 -0.746 941 2HD LYS 114 1HD LYS 114 -7.329 9.039 0.671 942 1HE LYS 114 2HE LYS 114 -8.869 10.311 -0.751 943 2HE LYS 114 1HE LYS 114 -8.324 9.393 -2.155 944 1HZ LYS 114 1HZ LYS 114 -10.412 8.546 -1.228 945 2HZ LYS 114 2HZ LYS 114 -9.631 8.217 0.239 946 3HZ LYS 114 3HZ LYS 114 -9.175 7.385 -1.170 947 H ASP 115 H ASP 115 -4.081 12.093 2.086 948 HA ASP 115 HA ASP 115 -5.898 14.166 1.384 949 1HB ASP 115 2HB ASP 115 -5.696 13.130 3.669 950 2HB ASP 115 1HB ASP 115 -4.188 14.015 3.875 951 H GLU 116 H GLU 116 -2.412 13.985 1.778 952 HA GLU 116 HA GLU 116 -1.894 16.764 1.662 953 1HB GLU 116 2HB GLU 116 -0.137 14.403 0.970 954 2HB GLU 116 1HB GLU 116 0.434 16.063 1.089 955 1HG GLU 116 2HG GLU 116 -0.289 16.123 3.432 956 2HG GLU 116 1HG GLU 116 -0.799 14.442 3.300 957 H ILE 117 H ILE 117 -2.171 14.270 -0.818 958 HA ILE 117 HA ILE 117 -1.310 15.774 -3.024 959 HB ILE 117 HB ILE 117 -3.413 13.594 -2.970 960 1HG1 ILE 117 2HG1 ILE 117 -0.448 13.429 -3.580 961 2HG1 ILE 117 1HG1 ILE 117 -1.189 12.945 -2.056 962 1HG2 ILE 117 1HG2 ILE 117 -2.883 13.301 -5.351 963 2HG2 ILE 117 2HG2 ILE 117 -1.802 14.692 -5.274 964 3HG2 ILE 117 3HG2 ILE 117 -3.533 14.907 -5.019 965 1HD1 ILE 117 1HD1 ILE 117 -2.462 11.225 -3.221 966 2HD1 ILE 117 2HD1 ILE 117 -0.729 11.031 -3.485 967 3HD1 ILE 117 3HD1 ILE 117 -1.742 11.723 -4.752 968 H ALA 118 H ALA 118 -4.593 15.304 -1.723 969 HA ALA 118 HA ALA 118 -5.779 17.111 -3.609 970 1HB ALA 118 1HB ALA 118 -7.831 16.760 -2.351 971 2HB ALA 118 2HB ALA 118 -6.924 15.960 -1.068 972 3HB ALA 118 3HB ALA 118 -7.022 15.222 -2.667 973 H ARG 119 H ARG 119 -3.980 17.581 -0.835 974 HA ARG 119 HA ARG 119 -5.335 19.922 0.135 975 1HB ARG 119 2HB ARG 119 -4.300 18.961 1.913 976 2HB ARG 119 1HB ARG 119 -3.015 18.276 0.936 977 1HG ARG 119 2HG ARG 119 -2.108 19.852 2.503 978 2HG ARG 119 1HG ARG 119 -1.919 20.470 0.864 979 1HD ARG 119 2HD ARG 119 -4.297 21.572 1.546 980 2HD ARG 119 1HD ARG 119 -3.491 21.518 3.118 981 HE ARG 119 HE ARG 119 -1.657 22.519 1.276 982 1HH1 ARG 119 1HH1 ARG 119 -4.695 23.481 2.731 983 2HH1 ARG 119 2HH1 ARG 119 -4.428 25.177 2.478 984 1HH2 ARG 119 1HH2 ARG 119 -1.305 24.729 0.909 985 2HH2 ARG 119 2HH2 ARG 119 -2.489 25.897 1.445 986 H GLU 120 H GLU 120 -2.202 19.346 -1.516 987 HA GLU 120 HA GLU 120 -1.826 22.232 -1.619 988 1HB GLU 120 2HB GLU 120 -0.098 20.157 -1.155 989 2HB GLU 120 1HB GLU 120 0.248 20.569 -2.829 990 1HG GLU 120 2HG GLU 120 1.683 21.749 -1.209 991 2HG GLU 120 1HG GLU 120 0.751 22.831 -2.242 992 H ASP 121 H ASP 121 -1.357 19.608 -4.022 993 HA ASP 121 HA ASP 121 -2.007 21.569 -6.101 994 1HB ASP 121 2HB ASP 121 -0.627 18.886 -6.233 995 2HB ASP 121 1HB ASP 121 -1.189 19.721 -7.675 996 H SER 122 H SER 122 -4.246 21.486 -5.400 997 HA SER 122 HA SER 122 -5.730 19.050 -5.566 998 1HB SER 122 2HB SER 122 -7.697 20.611 -5.229 999 2HB SER 122 1HB SER 122 -6.452 20.687 -3.982 1000 HG SER 122 HG SER 122 -7.003 22.778 -4.580 1001 H ARG 123 H ARG 123 -5.255 21.824 -7.692 1002 HA ARG 123 HA ARG 123 -6.701 20.348 -9.776 1003 1HB ARG 123 2HB ARG 123 -8.115 22.192 -8.791 1004 2HB ARG 123 1HB ARG 123 -6.924 23.335 -9.398 1005 1HG ARG 123 2HG ARG 123 -7.343 22.493 -11.686 1006 2HG ARG 123 1HG ARG 123 -8.625 21.468 -11.034 1007 1HD ARG 123 2HD ARG 123 -9.662 23.426 -11.882 1008 2HD ARG 123 1HD ARG 123 -9.690 23.545 -10.125 1009 HE ARG 123 HE ARG 123 -7.427 24.878 -10.791 1010 1HH1 ARG 123 1HH1 ARG 123 -10.767 25.128 -11.795 1011 2HH1 ARG 123 2HH1 ARG 123 -10.654 26.811 -12.228 1012 1HH2 ARG 123 1HH2 ARG 123 -7.249 27.080 -11.379 1013 2HH2 ARG 123 2HH2 ARG 123 -8.650 27.928 -11.967 Start of MODEL 17 1 1H MET 1 1HT MET 1 -14.133 15.475 -9.610 2 2H MET 1 2HT MET 1 -13.689 16.728 -8.567 3 3H MET 1 3HT MET 1 -15.333 16.398 -8.847 4 HA MET 1 HA MET 1 -14.633 15.585 -6.702 5 1HB MET 1 2HB MET 1 -15.001 12.970 -7.511 6 2HB MET 1 1HB MET 1 -16.272 14.117 -7.124 7 1HG MET 1 2HG MET 1 -16.696 12.980 -9.226 8 2HG MET 1 1HG MET 1 -16.487 14.712 -9.462 9 1HE MET 1 1HE MET 1 -16.173 14.414 -12.053 10 2HE MET 1 2HE MET 1 -16.433 12.680 -11.872 11 3HE MET 1 3HE MET 1 -15.046 13.271 -12.786 12 H LEU 2 H LEU 2 -12.979 13.726 -9.280 13 HA LEU 2 HA LEU 2 -11.068 12.628 -7.482 14 1HB LEU 2 2HB LEU 2 -9.878 11.912 -9.525 15 2HB LEU 2 1HB LEU 2 -11.569 11.461 -9.522 16 HG LEU 2 HG LEU 2 -11.794 13.718 -10.914 17 1HD1 LEU 2 1HD1 LEU 2 -9.909 13.986 -12.443 18 2HD1 LEU 2 2HD1 LEU 2 -8.995 12.782 -11.535 19 3HD1 LEU 2 3HD1 LEU 2 -9.434 14.313 -10.777 20 1HD2 LEU 2 1HD2 LEU 2 -10.871 11.070 -12.016 21 2HD2 LEU 2 2HD2 LEU 2 -11.644 12.352 -12.949 22 3HD2 LEU 2 3HD2 LEU 2 -12.534 11.543 -11.659 23 H SER 3 H SER 3 -8.936 13.228 -7.102 24 HA SER 3 HA SER 3 -8.372 16.033 -7.775 25 1HB SER 3 2HB SER 3 -7.323 14.474 -5.406 26 2HB SER 3 1HB SER 3 -7.188 16.211 -5.683 27 HG SER 3 HG SER 3 -9.750 15.617 -5.839 28 H GLN 4 H GLN 4 -7.250 15.702 -9.650 29 HA GLN 4 HA GLN 4 -5.395 15.547 -10.924 30 1HB GLN 4 2HB GLN 4 -3.949 15.111 -8.307 31 2HB GLN 4 1HB GLN 4 -3.199 15.527 -9.842 32 1HG GLN 4 2HG GLN 4 -4.537 17.635 -9.840 33 2HG GLN 4 1HG GLN 4 -5.074 17.226 -8.213 34 1HE2 GLN 4 1HE2 GLN 4 -3.562 19.530 -9.108 35 2HE2 GLN 4 2HE2 GLN 4 -2.065 19.498 -8.238 36 H THR 5 H THR 5 -3.162 13.981 -10.948 37 HA THR 5 HA THR 5 -4.397 11.462 -11.689 38 HB THR 5 HB THR 5 -1.524 12.313 -12.060 39 HG1 THR 5 1HG THR 5 -3.529 13.556 -13.038 40 1HG2 THR 5 1HG2 THR 5 -3.225 10.301 -13.536 41 2HG2 THR 5 2HG2 THR 5 -1.955 9.919 -12.375 42 3HG2 THR 5 3HG2 THR 5 -1.548 10.706 -13.899 43 H LEU 6 H LEU 6 -1.929 12.604 -9.430 44 HA LEU 6 HA LEU 6 -0.804 10.121 -8.748 45 1HB LEU 6 2HB LEU 6 0.210 12.319 -8.258 46 2HB LEU 6 1HB LEU 6 -1.033 12.615 -7.057 47 HG LEU 6 HG LEU 6 -0.202 10.653 -5.772 48 1HD1 LEU 6 1HD1 LEU 6 1.972 9.706 -6.319 49 2HD1 LEU 6 2HD1 LEU 6 2.046 10.688 -7.780 50 3HD1 LEU 6 3HD1 LEU 6 0.820 9.431 -7.624 51 1HD2 LEU 6 1HD2 LEU 6 1.811 12.821 -6.360 52 2HD2 LEU 6 2HD2 LEU 6 1.841 11.754 -4.957 53 3HD2 LEU 6 3HD2 LEU 6 0.509 12.887 -5.170 54 H LEU 7 H LEU 7 -3.792 11.587 -7.793 55 HA LEU 7 HA LEU 7 -4.162 10.299 -5.317 56 1HB LEU 7 2HB LEU 7 -5.520 12.215 -6.182 57 2HB LEU 7 1HB LEU 7 -6.316 11.097 -7.275 58 HG LEU 7 HG LEU 7 -7.144 9.818 -5.322 59 1HD1 LEU 7 1HD1 LEU 7 -5.407 10.405 -3.730 60 2HD1 LEU 7 2HD1 LEU 7 -6.998 10.829 -3.099 61 3HD1 LEU 7 3HD1 LEU 7 -5.942 12.085 -3.743 62 1HD2 LEU 7 1HD2 LEU 7 -8.543 11.511 -6.370 63 2HD2 LEU 7 2HD2 LEU 7 -7.847 12.747 -5.322 64 3HD2 LEU 7 3HD2 LEU 7 -8.822 11.451 -4.630 65 H GLU 8 H GLU 8 -5.135 9.384 -8.607 66 HA GLU 8 HA GLU 8 -6.642 7.129 -8.076 67 1HB GLU 8 2HB GLU 8 -4.738 7.666 -10.365 68 2HB GLU 8 1HB GLU 8 -5.941 6.389 -10.351 69 1HG GLU 8 2HG GLU 8 -6.628 9.296 -10.062 70 2HG GLU 8 1HG GLU 8 -6.562 8.462 -11.612 71 H MET 9 H MET 9 -3.145 7.416 -8.443 72 HA MET 9 HA MET 9 -2.476 4.708 -8.277 73 1HB MET 9 2HB MET 9 -0.955 7.181 -7.447 74 2HB MET 9 1HB MET 9 -0.248 5.572 -7.483 75 1HG MET 9 2HG MET 9 -0.373 5.433 -9.804 76 2HG MET 9 1HG MET 9 -1.543 6.746 -9.911 77 1HE MET 9 1HE MET 9 1.626 6.799 -7.626 78 2HE MET 9 2HE MET 9 2.852 7.469 -8.702 79 3HE MET 9 3HE MET 9 2.203 5.858 -9.005 80 H THR 10 H THR 10 -2.819 7.153 -5.732 81 HA THR 10 HA THR 10 -2.104 5.398 -3.602 82 HB THR 10 HB THR 10 -3.691 7.967 -3.436 83 HG1 THR 10 1HG THR 10 -1.852 8.663 -4.334 84 1HG2 THR 10 1HG2 THR 10 -3.684 6.638 -1.375 85 2HG2 THR 10 2HG2 THR 10 -2.738 8.114 -1.183 86 3HG2 THR 10 3HG2 THR 10 -1.923 6.569 -1.422 87 H GLU 11 H GLU 11 -5.146 6.446 -5.039 88 HA GLU 11 HA GLU 11 -6.963 5.378 -3.226 89 1HB GLU 11 2HB GLU 11 -7.145 5.690 -6.228 90 2HB GLU 11 1HB GLU 11 -8.510 5.255 -5.217 91 1HG GLU 11 2HG GLU 11 -6.920 7.796 -4.962 92 2HG GLU 11 1HG GLU 11 -8.455 7.642 -5.813 93 H GLN 12 H GLN 12 -5.400 3.857 -6.023 94 HA GLN 12 HA GLN 12 -6.638 1.336 -5.755 95 1HB GLN 12 2HB GLN 12 -5.446 2.099 -7.800 96 2HB GLN 12 1HB GLN 12 -3.923 1.965 -6.931 97 1HG GLN 12 2HG GLN 12 -4.209 0.037 -8.311 98 2HG GLN 12 1HG GLN 12 -4.352 -0.445 -6.622 99 1HE2 GLN 12 1HE2 GLN 12 -5.528 -2.276 -7.059 100 2HE2 GLN 12 2HE2 GLN 12 -7.167 -2.238 -7.610 101 H MET 13 H MET 13 -3.581 2.636 -4.526 102 HA MET 13 HA MET 13 -2.531 0.367 -3.323 103 1HB MET 13 2HB MET 13 -2.376 3.257 -2.446 104 2HB MET 13 1HB MET 13 -1.400 1.974 -1.747 105 1HG MET 13 2HG MET 13 -1.371 2.544 -4.688 106 2HG MET 13 1HG MET 13 -0.363 3.449 -3.561 107 1HE MET 13 1HE MET 13 0.619 1.484 -1.437 108 2HE MET 13 2HE MET 13 1.706 2.535 -2.343 109 3HE MET 13 3HE MET 13 2.085 0.825 -2.172 110 H ILE 14 H ILE 14 -4.825 2.731 -2.038 111 HA ILE 14 HA ILE 14 -5.018 1.772 0.579 112 HB ILE 14 HB ILE 14 -7.063 3.223 -1.101 113 1HG1 ILE 14 2HG1 ILE 14 -5.136 4.196 1.022 114 2HG1 ILE 14 1HG1 ILE 14 -4.941 4.425 -0.710 115 1HG2 ILE 14 1HG2 ILE 14 -8.215 2.087 0.685 116 2HG2 ILE 14 2HG2 ILE 14 -8.133 3.811 1.052 117 3HG2 ILE 14 3HG2 ILE 14 -7.049 2.681 1.866 118 1HD1 ILE 14 1HD1 ILE 14 -7.155 5.554 0.973 119 2HD1 ILE 14 2HD1 ILE 14 -6.968 5.774 -0.767 120 3HD1 ILE 14 3HD1 ILE 14 -5.765 6.438 0.342 121 H GLU 15 H GLU 15 -7.067 1.035 -2.253 122 HA GLU 15 HA GLU 15 -8.785 -0.697 -0.814 123 1HB GLU 15 2HB GLU 15 -9.336 0.404 -3.015 124 2HB GLU 15 1HB GLU 15 -8.287 -0.776 -3.793 125 1HG GLU 15 2HG GLU 15 -9.721 -2.550 -2.673 126 2HG GLU 15 1HG GLU 15 -10.862 -1.252 -2.327 127 H VAL 16 H VAL 16 -5.797 -1.259 -2.610 128 HA VAL 16 HA VAL 16 -5.947 -4.055 -2.788 129 HB VAL 16 HB VAL 16 -3.514 -2.271 -2.572 130 1HG1 VAL 16 1HG1 VAL 16 -2.965 -4.542 -1.822 131 2HG1 VAL 16 2HG1 VAL 16 -2.214 -4.177 -3.376 132 3HG1 VAL 16 3HG1 VAL 16 -3.651 -5.195 -3.310 133 1HG2 VAL 16 1HG2 VAL 16 -4.833 -3.630 -4.925 134 2HG2 VAL 16 2HG2 VAL 16 -3.338 -2.699 -4.990 135 3HG2 VAL 16 3HG2 VAL 16 -4.855 -1.902 -4.574 136 H ALA 17 H ALA 17 -4.575 -1.999 -0.246 137 HA ALA 17 HA ALA 17 -3.647 -4.059 1.415 138 1HB ALA 17 1HB ALA 17 -3.640 -2.404 3.199 139 2HB ALA 17 2HB ALA 17 -4.636 -1.326 2.223 140 3HB ALA 17 3HB ALA 17 -2.995 -1.720 1.708 141 H GLU 18 H GLU 18 -6.730 -2.276 1.500 142 HA GLU 18 HA GLU 18 -7.895 -3.737 3.583 143 1HB GLU 18 2HB GLU 18 -8.990 -2.068 1.342 144 2HB GLU 18 1HB GLU 18 -10.059 -2.891 2.459 145 1HG GLU 18 2HG GLU 18 -8.890 -1.734 4.330 146 2HG GLU 18 1HG GLU 18 -7.991 -0.821 3.121 147 H LYS 19 H LYS 19 -7.817 -4.315 0.104 148 HA LYS 19 HA LYS 19 -9.668 -6.441 0.021 149 1HB LYS 19 2HB LYS 19 -7.913 -5.131 -1.782 150 2HB LYS 19 1HB LYS 19 -7.556 -6.850 -1.873 151 1HG LYS 19 2HG LYS 19 -9.190 -6.286 -3.528 152 2HG LYS 19 1HG LYS 19 -9.942 -7.292 -2.289 153 1HD LYS 19 2HD LYS 19 -10.981 -5.372 -1.283 154 2HD LYS 19 1HD LYS 19 -10.105 -4.282 -2.359 155 1HE LYS 19 2HE LYS 19 -12.159 -6.325 -3.209 156 2HE LYS 19 1HE LYS 19 -12.424 -4.586 -3.083 157 1HZ LYS 19 1HZ LYS 19 -10.534 -5.950 -4.928 158 2HZ LYS 19 2HZ LYS 19 -10.695 -4.266 -4.774 159 3HZ LYS 19 3HZ LYS 19 -11.988 -5.190 -5.362 160 H GLY 20 H GLY 20 -6.124 -6.408 0.345 161 1HA GLY 20 2HA GLY 20 -5.754 -9.188 0.559 162 2HA GLY 20 1HA GLY 20 -4.669 -7.964 1.201 163 H ALA 21 H ALA 21 -6.275 -6.741 3.067 164 HA ALA 21 HA ALA 21 -6.130 -8.424 5.297 165 1HB ALA 21 1HB ALA 21 -6.145 -5.983 5.465 166 2HB ALA 21 2HB ALA 21 -7.400 -6.701 6.475 167 3HB ALA 21 3HB ALA 21 -7.828 -5.954 4.936 168 H ASP 22 H ASP 22 -8.899 -7.480 3.311 169 HA ASP 22 HA ASP 22 -10.899 -8.861 4.688 170 1HB ASP 22 2HB ASP 22 -11.514 -7.261 3.015 171 2HB ASP 22 1HB ASP 22 -10.638 -8.142 1.768 172 H ARG 23 H ARG 23 -8.872 -9.893 1.982 173 HA ARG 23 HA ARG 23 -10.116 -12.339 1.485 174 1HB ARG 23 2HB ARG 23 -8.217 -10.975 0.229 175 2HB ARG 23 1HB ARG 23 -7.169 -12.082 1.104 176 1HG ARG 23 2HG ARG 23 -7.621 -12.940 -1.101 177 2HG ARG 23 1HG ARG 23 -8.374 -13.980 0.111 178 1HD ARG 23 2HD ARG 23 -10.530 -13.045 -0.324 179 2HD ARG 23 1HD ARG 23 -9.840 -11.791 -1.353 180 HE ARG 23 HE ARG 23 -9.095 -14.130 -2.547 181 1HH1 ARG 23 1HH1 ARG 23 -12.169 -12.743 -1.564 182 2HH1 ARG 23 2HH1 ARG 23 -13.058 -13.505 -2.853 183 1HH2 ARG 23 1HH2 ARG 23 -10.288 -15.132 -4.239 184 2HH2 ARG 23 2HH2 ARG 23 -12.000 -14.854 -4.353 185 H TYR 24 H TYR 24 -7.417 -11.527 3.618 186 HA TYR 24 HA TYR 24 -6.967 -14.228 4.454 187 1HB TYR 24 2HB TYR 24 -5.153 -12.595 4.472 188 2HB TYR 24 1HB TYR 24 -6.031 -11.598 5.626 189 HD1 TYR 24 1HD TYR 24 -5.764 -11.937 7.933 190 HD2 TYR 24 2HD TYR 24 -4.441 -14.940 5.222 191 HE1 TYR 24 1HE TYR 24 -4.700 -13.143 9.794 192 HE2 TYR 24 2HE TYR 24 -3.380 -16.155 7.078 193 HH TYR 24 HH TYR 24 -2.513 -15.727 9.305 194 H GLN 25 H GLN 25 -8.657 -11.430 5.800 195 HA GLN 25 HA GLN 25 -9.241 -12.525 8.336 196 1HB GLN 25 2HB GLN 25 -9.534 -10.084 7.240 197 2HB GLN 25 1HB GLN 25 -11.186 -10.655 7.074 198 1HG GLN 25 2HG GLN 25 -9.644 -10.519 9.655 199 2HG GLN 25 1HG GLN 25 -10.828 -9.336 9.109 200 1HE2 GLN 25 1HE2 GLN 25 -13.018 -9.916 9.061 201 2HE2 GLN 25 2HE2 GLN 25 -13.621 -11.242 9.991 202 H GLU 26 H GLU 26 -10.966 -12.534 5.264 203 HA GLU 26 HA GLU 26 -13.302 -13.833 6.173 204 1HB GLU 26 2HB GLU 26 -13.158 -12.577 4.060 205 2HB GLU 26 1HB GLU 26 -12.063 -13.790 3.416 206 1HG GLU 26 2HG GLU 26 -13.825 -15.468 3.559 207 2HG GLU 26 1HG GLU 26 -14.924 -14.254 4.213 208 H GLY 27 H GLY 27 -10.594 -15.147 4.236 209 1HA GLY 27 2HA GLY 27 -9.864 -17.311 3.927 210 2HA GLY 27 1HA GLY 27 -10.032 -17.414 5.674 211 H LYS 28 H LYS 28 -12.304 -17.288 2.921 212 HA LYS 28 HA LYS 28 -13.847 -19.402 4.272 213 1HB LYS 28 2HB LYS 28 -14.828 -17.062 3.802 214 2HB LYS 28 1HB LYS 28 -14.896 -17.571 2.123 215 1HG LYS 28 2HG LYS 28 -17.039 -17.899 3.149 216 2HG LYS 28 1HG LYS 28 -16.322 -19.472 2.795 217 1HD LYS 28 2HD LYS 28 -15.635 -19.709 5.113 218 2HD LYS 28 1HD LYS 28 -16.262 -18.101 5.483 219 1HE LYS 28 2HE LYS 28 -17.909 -20.424 4.493 220 2HE LYS 28 1HE LYS 28 -17.787 -19.921 6.177 221 1HZ LYS 28 1HZ LYS 28 -18.802 -17.826 5.628 222 2HZ LYS 28 2HZ LYS 28 -19.790 -19.074 5.046 223 3HZ LYS 28 3HZ LYS 28 -18.813 -18.202 3.974 224 H ASN 29 H ASN 29 -11.528 -19.575 2.294 225 HA ASN 29 HA ASN 29 -12.899 -21.270 0.316 226 1HB ASN 29 2HB ASN 29 -12.079 -19.207 -0.740 227 2HB ASN 29 1HB ASN 29 -10.455 -19.553 -0.160 228 1HD2 ASN 29 1HD2 ASN 29 -9.658 -19.558 -2.252 229 2HD2 ASN 29 2HD2 ASN 29 -9.950 -20.860 -3.348 230 H SER 30 H SER 30 -12.225 -23.287 0.198 231 HA SER 30 HA SER 30 -9.467 -23.965 0.841 232 1HB SER 30 2HB SER 30 -11.829 -25.374 2.117 233 2HB SER 30 1HB SER 30 -10.133 -25.815 2.312 234 HG SER 30 HG SER 30 -10.268 -23.273 2.914 235 H ASN 31 H ASN 31 -11.765 -23.956 -1.335 236 HA ASN 31 HA ASN 31 -11.182 -26.654 -2.343 237 1HB ASN 31 2HB ASN 31 -13.786 -25.126 -2.544 238 2HB ASN 31 1HB ASN 31 -13.436 -26.587 -3.457 239 1HD2 ASN 31 1HD2 ASN 31 -14.951 -27.885 -2.586 240 2HD2 ASN 31 2HD2 ASN 31 -14.991 -28.363 -0.923 241 H HIS 32 H HIS 32 -9.421 -24.948 -3.059 242 HA HIS 32 HA HIS 32 -9.680 -24.848 -5.888 243 1HB HIS 32 2HB HIS 32 -10.821 -22.665 -4.911 244 2HB HIS 32 1HB HIS 32 -9.154 -22.134 -4.718 245 HD1 HIS 32 1HD HIS 32 -10.935 -20.588 -6.617 246 HD2 HIS 32 2HD HIS 32 -8.627 -23.835 -7.820 247 HE1 HIS 32 1HE HIS 32 -10.616 -20.318 -9.098 248 HE2 HIS 32 2HE HIS 32 -9.222 -22.289 -9.814 249 H SER 33 H SER 33 -7.630 -24.655 -6.845 250 HA SER 33 HA SER 33 -5.545 -25.635 -5.233 251 1HB SER 33 2HB SER 33 -5.209 -24.498 -8.003 252 2HB SER 33 1HB SER 33 -4.330 -25.834 -7.251 253 HG SER 33 HG SER 33 -5.784 -27.083 -8.107 254 H TYR 34 H TYR 34 -6.382 -22.401 -6.169 255 HA TYR 34 HA TYR 34 -5.463 -20.359 -5.786 256 1HB TYR 34 2HB TYR 34 -3.681 -21.922 -3.908 257 2HB TYR 34 1HB TYR 34 -3.542 -20.184 -4.129 258 HD1 TYR 34 1HD TYR 34 -5.442 -18.714 -3.452 259 HD2 TYR 34 2HD TYR 34 -5.345 -22.855 -2.504 260 HE1 TYR 34 1HE TYR 34 -7.131 -18.348 -1.705 261 HE2 TYR 34 2HE TYR 34 -7.035 -22.501 -0.755 262 HH TYR 34 HH TYR 34 -7.887 -20.706 0.640 263 H ASP 35 H ASP 35 -2.570 -22.345 -5.506 264 HA ASP 35 HA ASP 35 -0.679 -22.564 -6.699 265 1HB ASP 35 2HB ASP 35 -2.138 -23.045 -8.623 266 2HB ASP 35 1HB ASP 35 -2.185 -21.325 -9.006 267 H PHE 36 H PHE 36 1.187 -21.465 -7.131 268 HA PHE 36 HA PHE 36 1.332 -18.874 -5.985 269 1HB PHE 36 2HB PHE 36 3.142 -20.487 -5.721 270 2HB PHE 36 1HB PHE 36 3.412 -20.504 -7.459 271 HD1 PHE 36 1HD PHE 36 3.574 -18.346 -4.456 272 HD2 PHE 36 2HD PHE 36 4.847 -18.959 -8.468 273 HE1 PHE 36 1HE PHE 36 5.195 -16.512 -4.214 274 HE2 PHE 36 2HE PHE 36 6.470 -17.123 -8.238 275 HZ PHE 36 HZ PHE 36 6.645 -15.897 -6.109 276 H PHE 37 H PHE 37 1.532 -20.072 -9.313 277 HA PHE 37 HA PHE 37 2.334 -17.480 -10.314 278 1HB PHE 37 2HB PHE 37 1.582 -20.008 -11.800 279 2HB PHE 37 1HB PHE 37 2.298 -18.572 -12.523 280 HD1 PHE 37 1HD PHE 37 2.911 -21.623 -10.693 281 HD2 PHE 37 2HD PHE 37 4.623 -17.933 -11.945 282 HE1 PHE 37 1HE PHE 37 5.159 -22.514 -10.232 283 HE2 PHE 37 2HE PHE 37 6.871 -18.818 -11.488 284 HZ PHE 37 HZ PHE 37 7.144 -21.107 -10.633 285 H GLU 38 H GLU 38 -0.574 -19.248 -9.829 286 HA GLU 38 HA GLU 38 -2.095 -17.855 -11.818 287 1HB GLU 38 2HB GLU 38 -2.420 -20.181 -10.264 288 2HB GLU 38 1HB GLU 38 -3.754 -19.115 -9.850 289 1HG GLU 38 2HG GLU 38 -4.380 -20.591 -11.655 290 2HG GLU 38 1HG GLU 38 -4.333 -18.921 -12.216 291 H THR 39 H THR 39 -2.217 -17.821 -8.207 292 HA THR 39 HA THR 39 -3.859 -15.393 -8.501 293 HB THR 39 HB THR 39 -5.021 -17.323 -7.464 294 HG1 THR 39 1HG THR 39 -4.576 -14.959 -5.944 295 1HG2 THR 39 1HG2 THR 39 -3.123 -18.323 -6.282 296 2HG2 THR 39 2HG2 THR 39 -4.447 -17.975 -5.170 297 3HG2 THR 39 3HG2 THR 39 -3.035 -16.920 -5.217 298 H ILE 40 H ILE 40 -0.791 -16.355 -7.449 299 HA ILE 40 HA ILE 40 -0.692 -14.214 -5.437 300 HB ILE 40 HB ILE 40 1.342 -16.392 -5.959 301 1HG1 ILE 40 2HG1 ILE 40 -0.698 -16.104 -3.738 302 2HG1 ILE 40 1HG1 ILE 40 -0.789 -17.259 -5.063 303 1HG2 ILE 40 1HG2 ILE 40 1.151 -14.336 -3.757 304 2HG2 ILE 40 2HG2 ILE 40 2.372 -14.406 -5.028 305 3HG2 ILE 40 3HG2 ILE 40 2.301 -15.671 -3.801 306 1HD1 ILE 40 1HD1 ILE 40 1.233 -18.350 -4.258 307 2HD1 ILE 40 2HD1 ILE 40 -0.014 -18.308 -3.011 308 3HD1 ILE 40 3HD1 ILE 40 1.342 -17.183 -2.939 309 H LYS 41 H LYS 41 1.401 -15.546 -7.974 310 HA LYS 41 HA LYS 41 3.300 -13.599 -8.105 311 1HB LYS 41 2HB LYS 41 3.621 -15.607 -9.287 312 2HB LYS 41 1HB LYS 41 2.163 -15.383 -10.239 313 1HG LYS 41 2HG LYS 41 3.211 -13.528 -11.423 314 2HG LYS 41 1HG LYS 41 4.674 -13.734 -10.457 315 1HD LYS 41 2HD LYS 41 5.120 -15.850 -11.413 316 2HD LYS 41 1HD LYS 41 3.507 -15.951 -12.124 317 1HE LYS 41 2HE LYS 41 5.640 -13.962 -12.894 318 2HE LYS 41 1HE LYS 41 5.238 -15.424 -13.793 319 1HZ LYS 41 1HZ LYS 41 4.138 -13.589 -14.805 320 2HZ LYS 41 2HZ LYS 41 3.489 -13.065 -13.333 321 3HZ LYS 41 3HZ LYS 41 2.951 -14.518 -14.030 322 HA PRO 42 HA PRO 42 0.916 -11.242 -11.688 323 1HB PRO 42 2HB PRO 42 -1.878 -11.727 -10.795 324 2HB PRO 42 1HB PRO 42 -1.223 -11.597 -12.431 325 1HG PRO 42 2HG PRO 42 -1.894 -13.967 -11.438 326 2HG PRO 42 1HG PRO 42 -0.434 -13.783 -12.429 327 1HD PRO 42 2HD PRO 42 -0.696 -14.039 -9.460 328 2HD PRO 42 1HD PRO 42 0.514 -14.745 -10.548 329 H ALA 43 H ALA 43 -0.671 -11.454 -8.513 330 HA ALA 43 HA ALA 43 -1.332 -8.680 -8.406 331 1HB ALA 43 1HB ALA 43 -1.900 -9.113 -6.062 332 2HB ALA 43 2HB ALA 43 -1.166 -10.711 -6.180 333 3HB ALA 43 3HB ALA 43 -2.599 -10.328 -7.132 334 H VAL 44 H VAL 44 1.296 -10.664 -7.119 335 HA VAL 44 HA VAL 44 2.557 -8.686 -5.583 336 HB VAL 44 HB VAL 44 3.824 -11.016 -7.038 337 1HG1 VAL 44 1HG1 VAL 44 4.884 -9.352 -4.755 338 2HG1 VAL 44 2HG1 VAL 44 5.497 -9.362 -6.409 339 3HG1 VAL 44 3HG1 VAL 44 5.640 -10.805 -5.406 340 1HG2 VAL 44 1HG2 VAL 44 3.660 -12.177 -4.902 341 2HG2 VAL 44 2HG2 VAL 44 2.066 -11.693 -5.481 342 3HG2 VAL 44 3HG2 VAL 44 2.853 -10.779 -4.193 343 H GLU 45 H GLU 45 2.950 -9.588 -8.989 344 HA GLU 45 HA GLU 45 5.040 -7.912 -9.697 345 1HB GLU 45 2HB GLU 45 2.609 -8.722 -11.297 346 2HB GLU 45 1HB GLU 45 4.047 -7.982 -11.976 347 1HG GLU 45 2HG GLU 45 5.378 -9.892 -11.292 348 2HG GLU 45 1HG GLU 45 3.951 -10.631 -10.562 349 H GLU 46 H GLU 46 1.549 -7.248 -9.788 350 HA GLU 46 HA GLU 46 1.699 -4.635 -10.744 351 1HB GLU 46 2HB GLU 46 -0.352 -6.060 -9.061 352 2HB GLU 46 1HB GLU 46 -0.598 -4.490 -9.774 353 1HG GLU 46 2HG GLU 46 -0.243 -7.110 -11.172 354 2HG GLU 46 1HG GLU 46 -1.653 -6.056 -11.189 355 H ASN 47 H ASN 47 1.325 -5.853 -7.434 356 HA ASN 47 HA ASN 47 1.295 -3.350 -6.159 357 1HB ASN 47 2HB ASN 47 2.079 -6.078 -5.123 358 2HB ASN 47 1HB ASN 47 1.930 -4.657 -4.096 359 1HD2 ASN 47 1HD2 ASN 47 -0.331 -3.600 -5.631 360 2HD2 ASN 47 2HD2 ASN 47 -1.688 -4.569 -5.190 361 H ASP 48 H ASP 48 3.964 -5.505 -6.980 362 HA ASP 48 HA ASP 48 6.035 -4.172 -5.645 363 1HB ASP 48 2HB ASP 48 6.337 -6.389 -6.607 364 2HB ASP 48 1HB ASP 48 6.088 -5.751 -8.229 365 H GLU 49 H GLU 49 4.772 -3.738 -8.934 366 HA GLU 49 HA GLU 49 6.455 -1.623 -9.701 367 1HB GLU 49 2HB GLU 49 3.700 -2.469 -10.556 368 2HB GLU 49 1HB GLU 49 4.520 -1.088 -11.277 369 1HG GLU 49 2HG GLU 49 5.766 -3.807 -11.162 370 2HG GLU 49 1HG GLU 49 4.715 -3.299 -12.473 371 H LEU 50 H LEU 50 3.209 -1.622 -8.282 372 HA LEU 50 HA LEU 50 2.762 1.123 -8.261 373 1HB LEU 50 2HB LEU 50 1.584 -1.248 -7.108 374 2HB LEU 50 1HB LEU 50 1.520 0.089 -5.979 375 HG LEU 50 HG LEU 50 0.374 1.459 -7.677 376 1HD1 LEU 50 1HD1 LEU 50 1.288 0.404 -9.674 377 2HD1 LEU 50 2HD1 LEU 50 -0.474 0.408 -9.712 378 3HD1 LEU 50 3HD1 LEU 50 0.397 -1.073 -9.313 379 1HD2 LEU 50 1HD2 LEU 50 -1.766 0.274 -7.606 380 2HD2 LEU 50 2HD2 LEU 50 -0.931 0.195 -6.055 381 3HD2 LEU 50 3HD2 LEU 50 -0.930 -1.204 -7.130 382 H ALA 51 H ALA 51 4.019 -0.932 -5.640 383 HA ALA 51 HA ALA 51 4.338 1.089 -3.738 384 1HB ALA 51 1HB ALA 51 4.408 -1.303 -3.210 385 2HB ALA 51 2HB ALA 51 5.811 -0.451 -2.567 386 3HB ALA 51 3HB ALA 51 5.967 -1.433 -4.024 387 H ALA 52 H ALA 52 6.458 0.045 -6.341 388 HA ALA 52 HA ALA 52 8.766 1.430 -5.448 389 1HB ALA 52 1HB ALA 52 8.840 -0.432 -7.064 390 2HB ALA 52 2HB ALA 52 9.667 1.009 -7.653 391 3HB ALA 52 3HB ALA 52 8.064 0.602 -8.263 392 H ARG 53 H ARG 53 6.434 2.212 -8.053 393 HA ARG 53 HA ARG 53 7.610 4.743 -8.553 394 1HB ARG 53 2HB ARG 53 5.987 3.084 -9.944 395 2HB ARG 53 1HB ARG 53 4.821 4.282 -9.397 396 1HG ARG 53 2HG ARG 53 7.381 5.095 -10.714 397 2HG ARG 53 1HG ARG 53 5.961 4.634 -11.647 398 1HD ARG 53 2HD ARG 53 4.787 6.494 -11.040 399 2HD ARG 53 1HD ARG 53 5.586 6.612 -9.472 400 HE ARG 53 HE ARG 53 7.591 7.251 -11.113 401 1HH1 ARG 53 1HH1 ARG 53 4.256 8.310 -11.225 402 2HH1 ARG 53 2HH1 ARG 53 4.657 9.921 -11.730 403 1HH2 ARG 53 1HH2 ARG 53 8.114 9.348 -11.793 404 2HH2 ARG 53 2HH2 ARG 53 6.847 10.522 -12.040 405 H TRP 54 H TRP 54 4.958 3.663 -6.500 406 HA TRP 54 HA TRP 54 3.833 6.206 -6.022 407 1HB TRP 54 2HB TRP 54 2.736 4.041 -5.412 408 2HB TRP 54 1HB TRP 54 3.894 3.871 -4.097 409 HD1 TRP 54 HD TRP 54 0.915 6.041 -5.187 410 HE1 TRP 54 1HE TRP 54 -0.054 7.215 -3.110 411 HE3 TRP 54 3HE TRP 54 4.437 4.632 -1.754 412 HZ2 TRP 54 2HZ TRP 54 0.602 7.503 -0.373 413 HZ3 TRP 54 3HZ TRP 54 4.194 5.401 0.569 414 HH2 TRP 54 HH TRP 54 2.318 6.808 1.244 415 H ALA 55 H ALA 55 6.401 4.398 -4.377 416 HA ALA 55 HA ALA 55 6.867 6.247 -2.305 417 1HB ALA 55 1HB ALA 55 7.739 3.968 -2.252 418 2HB ALA 55 2HB ALA 55 9.040 5.142 -2.061 419 3HB ALA 55 3HB ALA 55 8.802 4.334 -3.609 420 H GLU 56 H GLU 56 8.301 5.920 -5.538 421 HA GLU 56 HA GLU 56 10.103 8.047 -5.345 422 1HB GLU 56 2HB GLU 56 8.744 6.679 -7.654 423 2HB GLU 56 1HB GLU 56 9.912 7.959 -7.878 424 1HG GLU 56 2HG GLU 56 11.615 6.666 -6.756 425 2HG GLU 56 1HG GLU 56 10.445 5.392 -6.420 426 H GLY 57 H GLY 57 6.701 7.894 -6.231 427 1HA GLY 57 2HA GLY 57 6.453 10.600 -7.072 428 2HA GLY 57 1HA GLY 57 5.137 9.546 -6.575 429 H ALA 58 H ALA 58 5.860 8.966 -3.978 430 HA ALA 58 HA ALA 58 5.011 11.230 -2.547 431 1HB ALA 58 1HB ALA 58 6.489 8.822 -1.490 432 2HB ALA 58 2HB ALA 58 4.747 8.922 -1.739 433 3HB ALA 58 3HB ALA 58 5.528 9.955 -0.542 434 H LEU 59 H LEU 59 8.234 9.842 -3.054 435 HA LEU 59 HA LEU 59 9.730 11.601 -1.494 436 1HB LEU 59 2HB LEU 59 10.331 10.007 -3.967 437 2HB LEU 59 1HB LEU 59 11.535 11.010 -3.208 438 HG LEU 59 HG LEU 59 10.119 8.709 -1.881 439 1HD1 LEU 59 1HD1 LEU 59 12.273 7.567 -2.043 440 2HD1 LEU 59 2HD1 LEU 59 12.930 8.932 -2.946 441 3HD1 LEU 59 3HD1 LEU 59 11.628 7.963 -3.636 442 1HD2 LEU 59 1HD2 LEU 59 10.775 10.469 -0.313 443 2HD2 LEU 59 2HD2 LEU 59 12.426 10.405 -0.931 444 3HD2 LEU 59 3HD2 LEU 59 11.745 9.012 -0.090 445 H GLU 60 H GLU 60 8.510 11.849 -4.763 446 HA GLU 60 HA GLU 60 9.867 14.159 -5.589 447 1HB GLU 60 2HB GLU 60 8.611 12.654 -7.085 448 2HB GLU 60 1HB GLU 60 7.106 13.192 -6.360 449 1HG GLU 60 2HG GLU 60 7.464 14.263 -8.492 450 2HG GLU 60 1HG GLU 60 7.506 15.449 -7.191 451 H LEU 61 H LEU 61 6.748 13.762 -3.933 452 HA LEU 61 HA LEU 61 6.101 16.526 -3.932 453 1HB LEU 61 2HB LEU 61 5.050 14.107 -2.557 454 2HB LEU 61 1HB LEU 61 4.611 15.673 -1.905 455 HG LEU 61 HG LEU 61 2.885 14.852 -3.406 456 1HD1 LEU 61 1HD1 LEU 61 4.414 17.177 -4.559 457 2HD1 LEU 61 2HD1 LEU 61 3.210 17.251 -3.272 458 3HD1 LEU 61 3HD1 LEU 61 2.729 16.784 -4.903 459 1HD2 LEU 61 1HD2 LEU 61 4.296 13.446 -4.841 460 2HD2 LEU 61 2HD2 LEU 61 4.995 14.897 -5.560 461 3HD2 LEU 61 3HD2 LEU 61 3.282 14.541 -5.781 462 H ILE 62 H ILE 62 7.597 14.419 -1.475 463 HA ILE 62 HA ILE 62 7.803 16.568 0.423 464 HB ILE 62 HB ILE 62 9.120 15.053 1.800 465 1HG1 ILE 62 2HG1 ILE 62 8.946 13.109 -0.515 466 2HG1 ILE 62 1HG1 ILE 62 10.402 13.977 -0.036 467 1HG2 ILE 62 1HG2 ILE 62 6.703 13.777 0.528 468 2HG2 ILE 62 2HG2 ILE 62 6.725 14.852 1.924 469 3HG2 ILE 62 3HG2 ILE 62 7.437 13.243 2.040 470 1HD1 ILE 62 1HD1 ILE 62 10.411 11.685 0.780 471 2HD1 ILE 62 2HD1 ILE 62 8.906 11.980 1.651 472 3HD1 ILE 62 3HD1 ILE 62 10.378 12.834 2.117 473 H LYS 63 H LYS 63 9.505 15.782 -2.336 474 HA LYS 63 HA LYS 63 12.013 16.968 -1.548 475 1HB LYS 63 2HB LYS 63 11.865 15.242 -3.326 476 2HB LYS 63 1HB LYS 63 10.900 16.338 -4.298 477 1HG LYS 63 2HG LYS 63 13.632 17.161 -3.419 478 2HG LYS 63 1HG LYS 63 13.438 16.046 -4.772 479 1HD LYS 63 2HD LYS 63 11.924 17.713 -5.842 480 2HD LYS 63 1HD LYS 63 12.300 18.830 -4.529 481 1HE LYS 63 2HE LYS 63 14.279 17.651 -6.477 482 2HE LYS 63 1HE LYS 63 13.650 19.296 -6.508 483 1HZ LYS 63 1HZ LYS 63 15.328 18.091 -4.373 484 2HZ LYS 63 2HZ LYS 63 14.650 19.640 -4.303 485 3HZ LYS 63 3HZ LYS 63 15.807 19.274 -5.493 486 H VAL 64 H VAL 64 9.083 17.897 -3.263 487 HA VAL 64 HA VAL 64 9.973 20.525 -3.948 488 HB VAL 64 HB VAL 64 7.185 19.363 -3.859 489 1HG1 VAL 64 1HG1 VAL 64 6.529 21.244 -5.282 490 2HG1 VAL 64 2HG1 VAL 64 8.147 21.926 -5.127 491 3HG1 VAL 64 3HG1 VAL 64 7.107 21.796 -3.708 492 1HG2 VAL 64 1HG2 VAL 64 8.588 18.205 -5.439 493 2HG2 VAL 64 2HG2 VAL 64 9.120 19.735 -6.137 494 3HG2 VAL 64 3HG2 VAL 64 7.440 19.225 -6.309 495 H ARG 65 H ARG 65 7.732 19.241 -1.493 496 HA ARG 65 HA ARG 65 7.903 21.844 -0.114 497 1HB ARG 65 2HB ARG 65 5.668 19.839 -0.267 498 2HB ARG 65 1HB ARG 65 5.730 21.065 0.989 499 1HG ARG 65 2HG ARG 65 5.792 22.793 -0.804 500 2HG ARG 65 1HG ARG 65 5.517 21.499 -1.976 501 1HD ARG 65 2HD ARG 65 3.434 20.922 -0.905 502 2HD ARG 65 1HD ARG 65 3.721 22.107 0.365 503 HE ARG 65 HE ARG 65 3.729 23.689 -1.749 504 1HH1 ARG 65 1HH1 ARG 65 1.592 21.026 -0.944 505 2HH1 ARG 65 2HH1 ARG 65 0.221 21.721 -1.772 506 1HH2 ARG 65 1HH2 ARG 65 1.908 24.608 -2.809 507 2HH2 ARG 65 2HH2 ARG 65 0.405 23.728 -2.829 508 H ARG 66 H ARG 66 6.714 21.040 2.260 509 HA ARG 66 HA ARG 66 8.858 19.618 3.572 510 1HB ARG 66 2HB ARG 66 6.268 20.830 4.568 511 2HB ARG 66 1HB ARG 66 7.356 19.933 5.613 512 1HG ARG 66 2HG ARG 66 7.763 22.253 5.934 513 2HG ARG 66 1HG ARG 66 9.140 21.579 5.066 514 1HD ARG 66 2HD ARG 66 8.426 22.536 3.014 515 2HD ARG 66 1HD ARG 66 6.852 22.963 3.686 516 HE ARG 66 HE ARG 66 8.459 24.375 5.262 517 1HH1 ARG 66 1HH1 ARG 66 8.569 23.967 1.776 518 2HH1 ARG 66 2HH1 ARG 66 9.165 25.567 1.488 519 1HH2 ARG 66 1HH2 ARG 66 9.260 26.484 4.861 520 2HH2 ARG 66 2HH2 ARG 66 9.552 26.996 3.222 521 HA PRO 67 HA PRO 67 7.311 15.466 3.678 522 1HB PRO 67 2HB PRO 67 7.145 15.759 6.650 523 2HB PRO 67 1HB PRO 67 7.875 14.468 5.687 524 1HG PRO 67 2HG PRO 67 9.410 16.291 6.840 525 2HG PRO 67 1HG PRO 67 9.766 15.725 5.197 526 1HD PRO 67 2HD PRO 67 8.555 18.300 6.090 527 2HD PRO 67 1HD PRO 67 9.646 17.977 4.730 528 H LYS 68 H LYS 68 5.711 17.343 6.257 529 HA LYS 68 HA LYS 68 3.546 17.771 6.755 530 1HB LYS 68 2HB LYS 68 3.448 18.503 4.377 531 2HB LYS 68 1HB LYS 68 2.928 16.885 3.932 532 1HG LYS 68 2HG LYS 68 0.995 18.261 4.039 533 2HG LYS 68 1HG LYS 68 0.958 17.186 5.437 534 1HD LYS 68 2HD LYS 68 1.908 19.012 6.811 535 2HD LYS 68 1HD LYS 68 1.813 20.076 5.408 536 1HE LYS 68 2HE LYS 68 -0.534 18.676 6.678 537 2HE LYS 68 1HE LYS 68 -0.081 20.353 6.974 538 1HZ LYS 68 1HZ LYS 68 -0.943 19.190 4.367 539 2HZ LYS 68 2HZ LYS 68 -0.413 20.788 4.591 540 3HZ LYS 68 3HZ LYS 68 -1.830 20.249 5.352 541 H TYR 69 H TYR 69 2.827 16.456 8.254 542 HA TYR 69 HA TYR 69 1.785 14.727 9.315 543 1HB TYR 69 2HB TYR 69 1.152 13.516 6.621 544 2HB TYR 69 1HB TYR 69 0.373 13.171 8.151 545 HD1 TYR 69 1HD TYR 69 -0.050 14.702 5.117 546 HD2 TYR 69 2HD TYR 69 -0.700 15.444 9.256 547 HE1 TYR 69 1HE TYR 69 -1.828 16.292 4.542 548 HE2 TYR 69 2HE TYR 69 -2.479 17.049 8.687 549 HH TYR 69 HH TYR 69 -3.799 17.288 5.530 550 H VAL 70 H VAL 70 3.102 13.275 6.368 551 HA VAL 70 HA VAL 70 4.196 11.068 7.932 552 HB VAL 70 HB VAL 70 2.800 10.622 5.921 553 1HG1 VAL 70 1HG1 VAL 70 3.752 10.991 3.685 554 2HG1 VAL 70 2HG1 VAL 70 5.096 11.868 4.420 555 3HG1 VAL 70 3HG1 VAL 70 3.455 12.500 4.550 556 1HG2 VAL 70 1HG2 VAL 70 4.348 8.992 4.848 557 2HG2 VAL 70 2HG2 VAL 70 4.279 8.886 6.606 558 3HG2 VAL 70 3HG2 VAL 70 5.652 9.669 5.822 559 H HIS 71 H HIS 71 6.408 10.327 7.505 560 HA HIS 71 HA HIS 71 8.197 12.468 6.559 561 1HB HIS 71 2HB HIS 71 8.505 10.613 8.917 562 2HB HIS 71 1HB HIS 71 9.889 11.420 8.185 563 HD1 HIS 71 1HD HIS 71 6.857 12.070 10.291 564 HD2 HIS 71 2HD HIS 71 10.051 14.174 8.654 565 HE1 HIS 71 1HE HIS 71 6.851 14.314 11.427 566 HE2 HIS 71 2HE HIS 71 8.697 15.623 10.316 567 H LYS 72 H LYS 72 10.365 11.579 5.824 568 HA LYS 72 HA LYS 72 9.852 9.741 3.748 569 1HB LYS 72 2HB LYS 72 12.267 9.821 3.298 570 2HB LYS 72 1HB LYS 72 11.580 11.423 3.509 571 1HG LYS 72 2HG LYS 72 12.527 11.620 5.691 572 2HG LYS 72 1HG LYS 72 13.036 9.929 5.675 573 1HD LYS 72 2HD LYS 72 14.915 11.424 5.224 574 2HD LYS 72 1HD LYS 72 14.567 10.398 3.833 575 1HE LYS 72 2HE LYS 72 13.311 12.273 2.817 576 2HE LYS 72 1HE LYS 72 13.767 13.286 4.186 577 1HZ LYS 72 1HZ LYS 72 15.652 12.007 2.274 578 2HZ LYS 72 2HZ LYS 72 16.089 12.982 3.594 579 3HZ LYS 72 3HZ LYS 72 15.223 13.650 2.299 580 H GLU 73 H GLU 73 11.247 9.373 6.930 581 HA GLU 73 HA GLU 73 12.300 6.796 6.713 582 1HB GLU 73 2HB GLU 73 10.983 8.058 9.128 583 2HB GLU 73 1HB GLU 73 12.111 6.708 9.147 584 1HG GLU 73 2HG GLU 73 13.896 8.103 8.392 585 2HG GLU 73 1HG GLU 73 12.791 9.452 8.131 586 H GLN 74 H GLN 74 9.051 7.939 7.378 587 HA GLN 74 HA GLN 74 7.915 5.388 7.879 588 1HB GLN 74 2HB GLN 74 6.636 8.005 7.076 589 2HB GLN 74 1HB GLN 74 5.754 6.585 7.605 590 1HG GLN 74 2HG GLN 74 7.746 8.123 9.253 591 2HG GLN 74 1HG GLN 74 5.991 8.228 9.390 592 1HE2 GLN 74 1HE2 GLN 74 4.849 6.514 10.301 593 2HE2 GLN 74 2HE2 GLN 74 5.628 5.284 11.233 594 H ILE 75 H ILE 75 8.055 7.504 5.052 595 HA ILE 75 HA ILE 75 6.433 5.997 3.347 596 HB ILE 75 HB ILE 75 8.773 7.768 2.615 597 1HG1 ILE 75 2HG1 ILE 75 5.812 8.374 2.789 598 2HG1 ILE 75 1HG1 ILE 75 7.022 8.890 3.956 599 1HG2 ILE 75 1HG2 ILE 75 8.154 6.296 0.773 600 2HG2 ILE 75 2HG2 ILE 75 7.694 7.962 0.424 601 3HG2 ILE 75 3HG2 ILE 75 6.470 6.795 0.924 602 1HD1 ILE 75 1HD1 ILE 75 8.110 10.223 2.221 603 2HD1 ILE 75 2HD1 ILE 75 6.430 10.698 2.470 604 3HD1 ILE 75 3HD1 ILE 75 6.873 9.718 1.071 605 H GLU 76 H GLU 76 9.927 5.823 3.938 606 HA GLU 76 HA GLU 76 10.420 3.875 1.927 607 1HB GLU 76 2HB GLU 76 12.032 4.627 4.369 608 2HB GLU 76 1HB GLU 76 12.591 3.534 3.109 609 1HG GLU 76 2HG GLU 76 12.238 5.411 1.475 610 2HG GLU 76 1HG GLU 76 11.979 6.467 2.864 611 H ALA 77 H ALA 77 9.539 3.709 5.309 612 HA ALA 77 HA ALA 77 9.926 0.910 5.616 613 1HB ALA 77 1HB ALA 77 9.763 2.414 7.535 614 2HB ALA 77 2HB ALA 77 8.546 1.141 7.625 615 3HB ALA 77 3HB ALA 77 8.084 2.768 7.124 616 H VAL 78 H VAL 78 7.105 2.914 4.841 617 HA VAL 78 HA VAL 78 5.219 0.846 4.660 618 HB VAL 78 HB VAL 78 5.284 3.536 3.281 619 1HG1 VAL 78 1HG1 VAL 78 3.828 2.033 2.033 620 2HG1 VAL 78 2HG1 VAL 78 2.884 3.248 2.898 621 3HG1 VAL 78 3HG1 VAL 78 2.983 1.599 3.520 622 1HG2 VAL 78 1HG2 VAL 78 3.707 4.190 5.020 623 2HG2 VAL 78 2HG2 VAL 78 5.218 3.609 5.723 624 3HG2 VAL 78 3HG2 VAL 78 3.793 2.570 5.714 625 H LYS 79 H LYS 79 7.496 2.127 2.299 626 HA LYS 79 HA LYS 79 6.531 0.948 -0.022 627 1HB LYS 79 2HB LYS 79 8.440 2.570 0.151 628 2HB LYS 79 1HB LYS 79 9.447 1.254 0.735 629 1HG LYS 79 2HG LYS 79 9.098 0.063 -1.386 630 2HG LYS 79 1HG LYS 79 8.126 1.416 -1.968 631 1HD LYS 79 2HD LYS 79 10.123 2.887 -1.576 632 2HD LYS 79 1HD LYS 79 11.055 1.421 -1.266 633 1HE LYS 79 2HE LYS 79 10.506 0.604 -3.509 634 2HE LYS 79 1HE LYS 79 9.575 2.068 -3.816 635 1HZ LYS 79 1HZ LYS 79 12.505 1.832 -3.424 636 2HZ LYS 79 2HZ LYS 79 11.694 3.318 -3.397 637 3HZ LYS 79 3HZ LYS 79 11.680 2.370 -4.805 638 H ASP 80 H ASP 80 8.741 -0.405 2.402 639 HA ASP 80 HA ASP 80 8.870 -2.970 1.100 640 1HB ASP 80 2HB ASP 80 10.746 -2.162 2.475 641 2HB ASP 80 1HB ASP 80 9.704 -2.143 3.895 642 H ASN 81 H ASN 81 7.155 -1.589 3.863 643 HA ASN 81 HA ASN 81 6.107 -4.032 4.821 644 1HB ASN 81 2HB ASN 81 5.284 -1.171 5.277 645 2HB ASN 81 1HB ASN 81 4.455 -2.523 6.040 646 1HD2 ASN 81 1HD2 ASN 81 5.955 -0.370 7.276 647 2HD2 ASN 81 2HD2 ASN 81 7.220 -1.116 8.183 648 H PHE 82 H PHE 82 4.998 -1.848 2.328 649 HA PHE 82 HA PHE 82 2.350 -2.821 2.136 650 1HB PHE 82 2HB PHE 82 3.207 -0.737 1.018 651 2HB PHE 82 1HB PHE 82 4.072 -1.766 -0.120 652 HD1 PHE 82 1HD PHE 82 0.688 -0.885 1.101 653 HD2 PHE 82 2HD PHE 82 2.995 -2.664 -2.003 654 HE1 PHE 82 1HE PHE 82 -1.318 -1.012 -0.318 655 HE2 PHE 82 2HE PHE 82 0.991 -2.794 -3.422 656 HZ PHE 82 HZ PHE 82 -1.167 -1.968 -2.580 657 H LEU 83 H LEU 83 5.346 -3.715 0.472 658 HA LEU 83 HA LEU 83 4.213 -5.867 -0.989 659 1HB LEU 83 2HB LEU 83 7.073 -5.273 -0.230 660 2HB LEU 83 1HB LEU 83 6.587 -6.513 -1.369 661 HG LEU 83 HG LEU 83 6.109 -3.552 -1.702 662 1HD1 LEU 83 1HD1 LEU 83 8.051 -5.389 -3.088 663 2HD1 LEU 83 2HD1 LEU 83 8.458 -4.116 -1.938 664 3HD1 LEU 83 3HD1 LEU 83 7.753 -3.700 -3.501 665 1HD2 LEU 83 1HD2 LEU 83 5.374 -4.125 -3.952 666 2HD2 LEU 83 2HD2 LEU 83 4.361 -4.902 -2.737 667 3HD2 LEU 83 3HD2 LEU 83 5.585 -5.840 -3.593 668 H GLU 84 H GLU 84 5.877 -5.577 2.085 669 HA GLU 84 HA GLU 84 6.059 -8.254 2.825 670 1HB GLU 84 2HB GLU 84 7.131 -6.498 4.102 671 2HB GLU 84 1HB GLU 84 5.580 -5.773 4.488 672 1HG GLU 84 2HG GLU 84 6.417 -6.924 6.415 673 2HG GLU 84 1HG GLU 84 5.004 -7.781 5.803 674 H LEU 85 H LEU 85 3.411 -5.945 3.325 675 HA LEU 85 HA LEU 85 1.667 -7.543 4.778 676 1HB LEU 85 2HB LEU 85 1.512 -5.072 4.241 677 2HB LEU 85 1HB LEU 85 0.852 -5.526 2.687 678 HG LEU 85 HG LEU 85 -0.466 -6.396 5.249 679 1HD1 LEU 85 1HD1 LEU 85 -0.230 -3.966 5.343 680 2HD1 LEU 85 2HD1 LEU 85 -1.910 -4.428 5.068 681 3HD1 LEU 85 3HD1 LEU 85 -0.930 -3.829 3.729 682 1HD2 LEU 85 1HD2 LEU 85 -1.524 -5.921 2.460 683 2HD2 LEU 85 2HD2 LEU 85 -2.457 -6.493 3.843 684 3HD2 LEU 85 3HD2 LEU 85 -1.173 -7.496 3.170 685 H VAL 86 H VAL 86 1.843 -7.114 1.254 686 HA VAL 86 HA VAL 86 -0.275 -8.850 0.616 687 HB VAL 86 HB VAL 86 2.129 -8.161 -1.085 688 1HG1 VAL 86 1HG1 VAL 86 -0.601 -9.172 -1.875 689 2HG1 VAL 86 2HG1 VAL 86 0.906 -10.085 -1.940 690 3HG1 VAL 86 3HG1 VAL 86 0.679 -8.683 -2.984 691 1HG2 VAL 86 1HG2 VAL 86 0.691 -6.411 -2.037 692 2HG2 VAL 86 2HG2 VAL 86 0.988 -6.160 -0.318 693 3HG2 VAL 86 3HG2 VAL 86 -0.560 -6.809 -0.859 694 H LEU 87 H LEU 87 3.222 -9.406 0.823 695 HA LEU 87 HA LEU 87 3.109 -12.099 -0.067 696 1HB LEU 87 2HB LEU 87 5.130 -10.671 -0.170 697 2HB LEU 87 1HB LEU 87 5.244 -10.743 1.577 698 HG LEU 87 HG LEU 87 5.578 -13.190 1.444 699 1HD1 LEU 87 1HD1 LEU 87 6.055 -14.214 -0.729 700 2HD1 LEU 87 2HD1 LEU 87 5.608 -12.709 -1.532 701 3HD1 LEU 87 3HD1 LEU 87 4.396 -13.623 -0.635 702 1HD2 LEU 87 1HD2 LEU 87 7.476 -11.521 -0.198 703 2HD2 LEU 87 2HD2 LEU 87 7.845 -13.103 0.491 704 3HD2 LEU 87 3HD2 LEU 87 7.506 -11.736 1.553 705 H GLN 88 H GLN 88 3.213 -10.628 3.162 706 HA GLN 88 HA GLN 88 3.594 -13.041 4.577 707 1HB GLN 88 2HB GLN 88 3.137 -11.808 6.567 708 2HB GLN 88 1HB GLN 88 4.043 -10.761 5.486 709 1HG GLN 88 2HG GLN 88 1.924 -9.673 4.832 710 2HG GLN 88 1HG GLN 88 1.084 -10.672 6.019 711 1HE2 GLN 88 1HE2 GLN 88 4.292 -9.366 6.487 712 2HE2 GLN 88 2HE2 GLN 88 3.858 -8.253 7.737 713 H SER 89 H SER 89 0.780 -11.505 3.280 714 HA SER 89 HA SER 89 -1.180 -12.824 4.821 715 1HB SER 89 2HB SER 89 -1.561 -10.805 3.372 716 2HB SER 89 1HB SER 89 -1.441 -11.855 1.962 717 HG SER 89 HG SER 89 -3.516 -11.483 3.698 718 H TYR 90 H TYR 90 0.650 -13.746 1.972 719 HA TYR 90 HA TYR 90 -0.968 -16.144 1.616 720 1HB TYR 90 2HB TYR 90 1.204 -14.866 -0.026 721 2HB TYR 90 1HB TYR 90 0.650 -16.505 -0.350 722 HD1 TYR 90 1HD TYR 90 0.043 -13.031 -0.907 723 HD2 TYR 90 2HD TYR 90 -1.847 -16.837 -0.789 724 HE1 TYR 90 1HE TYR 90 -1.813 -12.142 -2.252 725 HE2 TYR 90 2HE TYR 90 -3.710 -15.966 -2.137 726 HH TYR 90 HH TYR 90 -3.567 -13.023 -3.782 727 H VAL 91 H VAL 91 2.335 -15.245 2.576 728 HA VAL 91 HA VAL 91 3.144 -18.008 2.734 729 HB VAL 91 HB VAL 91 5.229 -17.199 3.740 730 1HG1 VAL 91 1HG1 VAL 91 4.988 -17.237 1.312 731 2HG1 VAL 91 2HG1 VAL 91 6.022 -15.905 1.827 732 3HG1 VAL 91 3HG1 VAL 91 4.355 -15.593 1.346 733 1HG2 VAL 91 1HG2 VAL 91 4.292 -15.354 5.055 734 2HG2 VAL 91 2HG2 VAL 91 3.984 -14.463 3.563 735 3HG2 VAL 91 3HG2 VAL 91 5.641 -14.826 4.049 736 H HIS 92 H HIS 92 1.615 -15.760 4.834 737 HA HIS 92 HA HIS 92 0.474 -16.110 6.761 738 1HB HIS 92 2HB HIS 92 1.280 -18.998 6.381 739 2HB HIS 92 1HB HIS 92 0.122 -18.423 7.575 740 HD1 HIS 92 1HD HIS 92 0.186 -19.954 4.406 741 HD2 HIS 92 2HD HIS 92 -2.048 -16.863 6.060 742 HE1 HIS 92 1HE HIS 92 -1.900 -19.802 3.011 743 HE2 HIS 92 2HE HIS 92 -3.115 -17.776 3.884 744 H HIS 93 H HIS 93 3.420 -15.516 6.807 745 HA HIS 93 HA HIS 93 4.170 -16.769 9.323 746 1HB HIS 93 2HB HIS 93 6.324 -15.630 9.128 747 2HB HIS 93 1HB HIS 93 5.952 -16.565 7.695 748 HD1 HIS 93 1HD HIS 93 7.673 -15.225 6.362 749 HD2 HIS 93 2HD HIS 93 4.585 -12.886 7.879 750 HE1 HIS 93 1HE HIS 93 7.866 -13.006 5.196 751 HE2 HIS 93 2HE HIS 93 6.126 -11.539 6.275 752 H ILE 94 H ILE 94 1.907 -15.281 9.510 753 HA ILE 94 HA ILE 94 2.701 -13.241 11.448 754 HB ILE 94 HB ILE 94 0.853 -11.744 10.619 755 1HG1 ILE 94 2HG1 ILE 94 1.065 -13.434 8.116 756 2HG1 ILE 94 1HG1 ILE 94 -0.274 -13.506 9.257 757 1HG2 ILE 94 1HG2 ILE 94 3.163 -12.189 8.733 758 2HG2 ILE 94 2HG2 ILE 94 3.186 -11.208 10.199 759 3HG2 ILE 94 3HG2 ILE 94 2.180 -10.728 8.833 760 1HD1 ILE 94 1HD1 ILE 94 -0.825 -12.176 7.301 761 2HD1 ILE 94 2HD1 ILE 94 0.532 -11.100 7.643 762 3HD1 ILE 94 3HD1 ILE 94 -0.827 -11.192 8.764 763 H HIS 95 H HIS 95 0.573 -12.460 12.590 764 HA HIS 95 HA HIS 95 -1.429 -14.599 12.630 765 1HB HIS 95 2HB HIS 95 -0.010 -13.445 15.018 766 2HB HIS 95 1HB HIS 95 -1.601 -14.184 15.162 767 HD1 HIS 95 1HD HIS 95 -1.758 -16.758 14.653 768 HD2 HIS 95 2HD HIS 95 2.100 -15.204 14.822 769 HE1 HIS 95 1HE HIS 95 -0.231 -18.745 14.865 770 HE2 HIS 95 2HE HIS 95 2.071 -17.766 15.188 771 H LYS 96 H LYS 96 -0.938 -11.556 14.424 772 HA LYS 96 HA LYS 96 -3.264 -10.391 13.131 773 1HB LYS 96 2HB LYS 96 -3.201 -11.040 16.076 774 2HB LYS 96 1HB LYS 96 -4.273 -9.825 15.397 775 1HG LYS 96 2HG LYS 96 -5.295 -11.546 13.978 776 2HG LYS 96 1HG LYS 96 -4.240 -12.757 14.711 777 1HD LYS 96 2HD LYS 96 -5.228 -12.345 16.886 778 2HD LYS 96 1HD LYS 96 -6.225 -11.052 16.215 779 1HE LYS 96 2HE LYS 96 -7.350 -12.671 14.770 780 2HE LYS 96 1HE LYS 96 -6.353 -13.964 15.438 781 1HZ LYS 96 1HZ LYS 96 -8.552 -13.867 16.459 782 2HZ LYS 96 2HZ LYS 96 -8.251 -12.286 16.991 783 3HZ LYS 96 3HZ LYS 96 -7.326 -13.575 17.598 784 H LYS 97 H LYS 97 -1.083 -9.979 15.920 785 HA LYS 97 HA LYS 97 -1.346 -7.257 16.244 786 1HB LYS 97 2HB LYS 97 1.144 -8.901 16.720 787 2HB LYS 97 1HB LYS 97 0.853 -7.293 17.362 788 1HG LYS 97 2HG LYS 97 0.269 -8.530 19.166 789 2HG LYS 97 1HG LYS 97 -1.295 -8.462 18.355 790 1HD LYS 97 2HD LYS 97 -0.977 -10.652 17.425 791 2HD LYS 97 1HD LYS 97 0.685 -10.712 18.016 792 1HE LYS 97 2HE LYS 97 -0.221 -10.543 20.338 793 2HE LYS 97 1HE LYS 97 -1.841 -10.703 19.661 794 1HZ LYS 97 1HZ LYS 97 -1.243 -12.862 18.787 795 2HZ LYS 97 2HZ LYS 97 -0.958 -12.819 20.459 796 3HZ LYS 97 3HZ LYS 97 0.341 -12.700 19.375 797 H ARG 98 H ARG 98 1.190 -8.918 14.374 798 HA ARG 98 HA ARG 98 2.474 -6.560 13.530 799 1HB ARG 98 2HB ARG 98 2.450 -9.293 12.241 800 2HB ARG 98 1HB ARG 98 3.547 -7.990 11.809 801 1HG ARG 98 2HG ARG 98 4.303 -8.031 14.236 802 2HG ARG 98 1HG ARG 98 3.435 -9.563 14.361 803 1HD ARG 98 2HD ARG 98 5.776 -9.969 13.870 804 2HD ARG 98 1HD ARG 98 4.773 -10.456 12.503 805 HE ARG 98 HE ARG 98 5.737 -7.765 12.275 806 1HH1 ARG 98 1HH1 ARG 98 6.583 -11.133 11.728 807 2HH1 ARG 98 2HH1 ARG 98 7.761 -10.755 10.495 808 1HH2 ARG 98 1HH2 ARG 98 7.254 -7.280 10.692 809 2HH2 ARG 98 2HH2 ARG 98 8.160 -8.546 9.917 810 H PHE 99 H PHE 99 0.104 -8.631 11.893 811 HA PHE 99 HA PHE 99 0.077 -7.304 9.440 812 1HB PHE 99 2HB PHE 99 -0.906 -9.539 9.831 813 2HB PHE 99 1HB PHE 99 -2.188 -8.797 10.783 814 HD1 PHE 99 1HD PHE 99 -0.716 -8.929 7.385 815 HD2 PHE 99 2HD PHE 99 -4.112 -7.962 9.759 816 HE1 PHE 99 1HE PHE 99 -2.053 -8.628 5.344 817 HE2 PHE 99 2HE PHE 99 -5.453 -7.661 7.720 818 HZ PHE 99 HZ PHE 99 -4.422 -7.994 5.512 819 H LYS 100 H LYS 100 -1.881 -6.793 12.349 820 HA LYS 100 HA LYS 100 -3.585 -4.841 11.212 821 1HB LYS 100 2HB LYS 100 -3.811 -6.232 13.415 822 2HB LYS 100 1HB LYS 100 -2.907 -4.910 14.138 823 1HG LYS 100 2HG LYS 100 -5.430 -4.438 12.582 824 2HG LYS 100 1HG LYS 100 -5.450 -4.852 14.293 825 1HD LYS 100 2HD LYS 100 -3.983 -2.488 13.123 826 2HD LYS 100 1HD LYS 100 -5.592 -2.410 13.841 827 1HE LYS 100 2HE LYS 100 -4.542 -3.405 15.929 828 2HE LYS 100 1HE LYS 100 -2.982 -3.063 15.184 829 1HZ LYS 100 1HZ LYS 100 -3.603 -1.269 16.634 830 2HZ LYS 100 2HZ LYS 100 -5.095 -1.087 15.852 831 3HZ LYS 100 3HZ LYS 100 -3.660 -0.714 15.033 832 H ASP 101 H ASP 101 -0.587 -4.612 13.096 833 HA ASP 101 HA ASP 101 -0.569 -1.789 13.282 834 1HB ASP 101 2HB ASP 101 0.797 -3.297 14.712 835 2HB ASP 101 1HB ASP 101 1.806 -3.654 13.316 836 H ILE 102 H ILE 102 0.977 -4.039 11.031 837 HA ILE 102 HA ILE 102 2.325 -2.138 9.476 838 HB ILE 102 HB ILE 102 1.241 -4.849 8.708 839 1HG1 ILE 102 2HG1 ILE 102 4.037 -3.900 9.381 840 2HG1 ILE 102 1HG1 ILE 102 2.988 -4.822 10.451 841 1HG2 ILE 102 1HG2 ILE 102 3.124 -3.073 7.153 842 2HG2 ILE 102 2HG2 ILE 102 1.465 -3.474 6.708 843 3HG2 ILE 102 3HG2 ILE 102 2.698 -4.735 6.742 844 1HD1 ILE 102 1HD1 ILE 102 4.664 -6.235 9.406 845 2HD1 ILE 102 2HD1 ILE 102 4.071 -5.773 7.810 846 3HD1 ILE 102 3HD1 ILE 102 3.038 -6.696 8.904 847 H THR 103 H THR 103 -0.889 -3.616 8.978 848 HA THR 103 HA THR 103 -1.562 -2.235 6.643 849 HB THR 103 HB THR 103 -3.457 -3.148 8.826 850 HG1 THR 103 1HG THR 103 -2.258 -4.909 8.122 851 1HG2 THR 103 1HG2 THR 103 -4.518 -1.647 7.213 852 2HG2 THR 103 2HG2 THR 103 -5.107 -3.297 7.013 853 3HG2 THR 103 3HG2 THR 103 -3.924 -2.640 5.882 854 H GLU 104 H GLU 104 -2.067 -1.392 10.041 855 HA GLU 104 HA GLU 104 -3.548 0.952 9.669 856 1HB GLU 104 2HB GLU 104 -3.297 -0.316 11.785 857 2HB GLU 104 1HB GLU 104 -1.633 0.230 11.892 858 1HG GLU 104 2HG GLU 104 -2.325 2.490 12.153 859 2HG GLU 104 1HG GLU 104 -4.009 2.059 11.854 860 H SER 105 H SER 105 -0.067 0.503 10.235 861 HA SER 105 HA SER 105 0.652 3.204 10.082 862 1HB SER 105 2HB SER 105 2.314 0.774 9.374 863 2HB SER 105 1HB SER 105 2.946 2.386 9.711 864 HG SER 105 HG SER 105 1.821 0.497 11.455 865 H VAL 106 H VAL 106 0.367 0.745 7.542 866 HA VAL 106 HA VAL 106 1.384 2.363 5.450 867 HB VAL 106 HB VAL 106 -0.466 -0.027 5.344 868 1HG1 VAL 106 1HG1 VAL 106 0.972 1.336 3.066 869 2HG1 VAL 106 2HG1 VAL 106 -0.768 1.368 3.347 870 3HG1 VAL 106 3HG1 VAL 106 0.034 -0.155 2.960 871 1HG2 VAL 106 1HG2 VAL 106 2.479 0.261 4.765 872 2HG2 VAL 106 2HG2 VAL 106 1.532 -1.219 4.607 873 3HG2 VAL 106 3HG2 VAL 106 1.773 -0.491 6.196 874 H LEU 107 H LEU 107 -1.963 1.600 6.422 875 HA LEU 107 HA LEU 107 -3.184 3.229 4.483 876 1HB LEU 107 2HB LEU 107 -4.059 1.877 6.966 877 2HB LEU 107 1HB LEU 107 -5.074 3.178 6.386 878 HG LEU 107 HG LEU 107 -5.842 0.974 5.593 879 1HD1 LEU 107 1HD1 LEU 107 -4.768 2.718 3.385 880 2HD1 LEU 107 2HD1 LEU 107 -6.269 2.994 4.270 881 3HD1 LEU 107 3HD1 LEU 107 -6.093 1.560 3.257 882 1HD2 LEU 107 1HD2 LEU 107 -3.705 -0.172 5.470 883 2HD2 LEU 107 2HD2 LEU 107 -3.195 0.891 4.157 884 3HD2 LEU 107 3HD2 LEU 107 -4.532 -0.232 3.913 885 H TYR 108 H TYR 108 -2.170 3.913 7.811 886 HA TYR 108 HA TYR 108 -3.239 6.513 7.957 887 1HB TYR 108 2HB TYR 108 -2.340 5.265 9.913 888 2HB TYR 108 1HB TYR 108 -0.714 5.500 9.283 889 HD1 TYR 108 1HD TYR 108 -3.644 7.790 9.672 890 HD2 TYR 108 2HD TYR 108 0.426 6.997 10.625 891 HE1 TYR 108 1HE TYR 108 -3.516 9.930 10.877 892 HE2 TYR 108 2HE TYR 108 0.568 9.135 11.829 893 HH TYR 108 HH TYR 108 -2.252 11.071 12.482 894 H THR 109 H THR 109 -0.139 5.320 6.756 895 HA THR 109 HA THR 109 0.962 7.836 6.087 896 HB THR 109 HB THR 109 1.491 5.116 4.868 897 HG1 THR 109 1HG THR 109 2.079 5.028 6.987 898 1HG2 THR 109 1HG2 THR 109 3.639 6.068 4.148 899 2HG2 THR 109 2HG2 THR 109 3.134 7.648 4.746 900 3HG2 THR 109 3HG2 THR 109 2.280 6.902 3.397 901 H LEU 110 H LEU 110 -0.958 5.493 4.242 902 HA LEU 110 HA LEU 110 -1.018 6.853 1.799 903 1HB LEU 110 2HB LEU 110 -3.135 5.106 3.063 904 2HB LEU 110 1HB LEU 110 -3.134 5.614 1.386 905 HG LEU 110 HG LEU 110 -1.012 3.892 2.673 906 1HD1 LEU 110 1HD1 LEU 110 -3.184 2.759 2.457 907 2HD1 LEU 110 2HD1 LEU 110 -1.959 2.073 1.389 908 3HD1 LEU 110 3HD1 LEU 110 -3.198 3.147 0.736 909 1HD2 LEU 110 1HD2 LEU 110 -0.161 5.264 0.833 910 2HD2 LEU 110 2HD2 LEU 110 -1.448 4.658 -0.211 911 3HD2 LEU 110 3HD2 LEU 110 -0.213 3.555 0.398 912 H HIS 111 H HIS 111 -3.158 7.085 4.614 913 HA HIS 111 HA HIS 111 -4.983 8.949 3.598 914 1HB HIS 111 2HB HIS 111 -4.022 8.433 6.414 915 2HB HIS 111 1HB HIS 111 -5.275 9.608 6.048 916 HD1 HIS 111 1HD HIS 111 -6.438 7.771 7.803 917 HD2 HIS 111 2HD HIS 111 -5.953 6.676 3.816 918 HE1 HIS 111 1HE HIS 111 -8.056 5.883 7.411 919 HE2 HIS 111 2HE HIS 111 -7.875 5.359 4.954 920 H ALA 112 H ALA 112 -1.846 9.388 5.127 921 HA ALA 112 HA ALA 112 -2.000 12.186 5.478 922 1HB ALA 112 1HB ALA 112 -0.402 10.757 6.668 923 2HB ALA 112 2HB ALA 112 0.400 12.089 5.835 924 3HB ALA 112 3HB ALA 112 0.454 10.463 5.154 925 H VAL 113 H VAL 113 -0.625 10.194 2.887 926 HA VAL 113 HA VAL 113 0.345 12.434 1.396 927 HB VAL 113 HB VAL 113 -0.123 9.588 0.481 928 1HG1 VAL 113 1HG1 VAL 113 1.549 11.786 -0.735 929 2HG1 VAL 113 2HG1 VAL 113 0.047 11.140 -1.392 930 3HG1 VAL 113 3HG1 VAL 113 1.479 10.115 -1.299 931 1HG2 VAL 113 1HG2 VAL 113 2.284 9.288 0.874 932 2HG2 VAL 113 2HG2 VAL 113 1.424 9.690 2.361 933 3HG2 VAL 113 3HG2 VAL 113 2.373 10.922 1.531 934 H LYS 114 H LYS 114 -2.496 10.380 1.297 935 HA LYS 114 HA LYS 114 -3.617 11.269 -1.110 936 1HB LYS 114 2HB LYS 114 -4.273 9.239 0.197 937 2HB LYS 114 1HB LYS 114 -5.063 10.287 1.359 938 1HG LYS 114 2HG LYS 114 -5.854 10.412 -1.518 939 2HG LYS 114 1HG LYS 114 -6.436 9.093 -0.503 940 1HD LYS 114 2HD LYS 114 -7.422 10.691 1.039 941 2HD LYS 114 1HD LYS 114 -6.787 12.031 0.085 942 1HE LYS 114 2HE LYS 114 -9.156 11.638 -0.381 943 2HE LYS 114 1HE LYS 114 -8.162 11.354 -1.807 944 1HZ LYS 114 1HZ LYS 114 -9.136 9.208 0.000 945 2HZ LYS 114 2HZ LYS 114 -8.342 9.002 -1.488 946 3HZ LYS 114 3HZ LYS 114 -9.903 9.659 -1.442 947 H ASP 115 H ASP 115 -3.832 12.529 2.171 948 HA ASP 115 HA ASP 115 -5.939 14.339 1.783 949 1HB ASP 115 2HB ASP 115 -4.889 13.631 3.995 950 2HB ASP 115 1HB ASP 115 -3.615 14.800 3.659 951 H GLU 116 H GLU 116 -2.427 14.810 1.514 952 HA GLU 116 HA GLU 116 -2.551 17.544 0.853 953 1HB GLU 116 2HB GLU 116 -0.445 15.447 0.369 954 2HB GLU 116 1HB GLU 116 -0.234 17.128 -0.105 955 1HG GLU 116 2HG GLU 116 -0.705 16.114 2.687 956 2HG GLU 116 1HG GLU 116 0.821 16.700 2.025 957 H ILE 117 H ILE 117 -2.593 14.634 -1.160 958 HA ILE 117 HA ILE 117 -2.344 15.873 -3.662 959 HB ILE 117 HB ILE 117 -3.980 13.411 -3.014 960 1HG1 ILE 117 2HG1 ILE 117 -1.097 13.592 -3.929 961 2HG1 ILE 117 1HG1 ILE 117 -1.592 13.297 -2.265 962 1HG2 ILE 117 1HG2 ILE 117 -4.479 14.356 -5.213 963 2HG2 ILE 117 2HG2 ILE 117 -3.635 12.816 -5.359 964 3HG2 ILE 117 3HG2 ILE 117 -2.763 14.325 -5.626 965 1HD1 ILE 117 1HD1 ILE 117 -0.970 11.237 -3.416 966 2HD1 ILE 117 2HD1 ILE 117 -2.234 11.525 -4.613 967 3HD1 ILE 117 3HD1 ILE 117 -2.664 11.224 -2.928 968 H ALA 118 H ALA 118 -5.207 15.154 -1.712 969 HA ALA 118 HA ALA 118 -6.992 16.396 -3.612 970 1HB ALA 118 1HB ALA 118 -7.709 14.459 -2.315 971 2HB ALA 118 2HB ALA 118 -8.740 15.854 -1.998 972 3HB ALA 118 3HB ALA 118 -7.512 15.376 -0.824 973 H ARG 119 H ARG 119 -4.924 17.530 -1.277 974 HA ARG 119 HA ARG 119 -6.592 19.783 -0.483 975 1HB ARG 119 2HB ARG 119 -5.180 18.605 1.184 976 2HB ARG 119 1HB ARG 119 -3.750 19.109 0.296 977 1HG ARG 119 2HG ARG 119 -3.919 21.286 0.988 978 2HG ARG 119 1HG ARG 119 -5.664 21.185 1.239 979 1HD ARG 119 2HD ARG 119 -3.521 19.932 2.957 980 2HD ARG 119 1HD ARG 119 -4.529 21.319 3.380 981 HE ARG 119 HE ARG 119 -5.242 18.542 3.544 982 1HH1 ARG 119 1HH1 ARG 119 -6.512 21.803 3.145 983 2HH1 ARG 119 2HH1 ARG 119 -8.126 21.368 3.620 984 1HH2 ARG 119 1HH2 ARG 119 -7.362 17.982 4.158 985 2HH2 ARG 119 2HH2 ARG 119 -8.616 19.187 4.174 986 H GLU 120 H GLU 120 -4.110 18.997 -2.745 987 HA GLU 120 HA GLU 120 -3.207 21.647 -3.209 988 1HB GLU 120 2HB GLU 120 -2.868 19.035 -4.505 989 2HB GLU 120 1HB GLU 120 -2.727 20.421 -5.577 990 1HG GLU 120 2HG GLU 120 -1.127 19.869 -3.092 991 2HG GLU 120 1HG GLU 120 -0.554 19.863 -4.762 992 H ASP 121 H ASP 121 -5.645 19.622 -4.777 993 HA ASP 121 HA ASP 121 -6.582 21.981 -6.233 994 1HB ASP 121 2HB ASP 121 -6.335 19.607 -7.291 995 2HB ASP 121 1HB ASP 121 -7.843 19.257 -6.452 996 H SER 122 H SER 122 -9.160 21.921 -6.336 997 HA SER 122 HA SER 122 -9.989 21.992 -3.514 998 1HB SER 122 2HB SER 122 -11.181 23.516 -5.842 999 2HB SER 122 1HB SER 122 -11.544 23.740 -4.128 1000 HG SER 122 HG SER 122 -8.904 23.941 -4.504 1001 H ARG 123 H ARG 123 -10.663 20.674 -6.653 1002 HA ARG 123 HA ARG 123 -12.562 18.810 -5.712 1003 1HB ARG 123 2HB ARG 123 -13.873 20.998 -5.597 1004 2HB ARG 123 1HB ARG 123 -13.807 21.015 -7.353 1005 1HG ARG 123 2HG ARG 123 -15.008 18.900 -7.432 1006 2HG ARG 123 1HG ARG 123 -15.051 18.852 -5.668 1007 1HD ARG 123 2HD ARG 123 -16.267 21.029 -5.717 1008 2HD ARG 123 1HD ARG 123 -16.349 20.883 -7.472 1009 HE ARG 123 HE ARG 123 -17.486 18.772 -5.777 1010 1HH1 ARG 123 1HH1 ARG 123 -17.857 21.295 -8.163 1011 2HH1 ARG 123 2HH1 ARG 123 -19.513 20.897 -8.515 1012 1HH2 ARG 123 1HH2 ARG 123 -19.690 18.256 -6.213 1013 2HH2 ARG 123 2HH2 ARG 123 -20.563 19.204 -7.380 Start of MODEL 18 1 1H MET 1 1HT MET 1 -13.547 16.426 -15.054 2 2H MET 1 2HT MET 1 -13.792 16.122 -16.707 3 3H MET 1 3HT MET 1 -12.815 17.420 -16.218 4 HA MET 1 HA MET 1 -12.238 14.563 -15.717 5 1HB MET 1 2HB MET 1 -10.400 14.900 -17.388 6 2HB MET 1 1HB MET 1 -12.019 14.951 -18.070 7 1HG MET 1 2HG MET 1 -11.941 17.352 -18.200 8 2HG MET 1 1HG MET 1 -10.383 17.381 -17.376 9 1HE MET 1 1HE MET 1 -9.577 18.976 -19.397 10 2HE MET 1 2HE MET 1 -11.121 18.787 -20.227 11 3HE MET 1 3HE MET 1 -9.614 18.488 -21.092 12 H LEU 2 H LEU 2 -11.096 14.358 -13.939 13 HA LEU 2 HA LEU 2 -9.202 16.480 -13.188 14 1HB LEU 2 2HB LEU 2 -10.331 14.159 -11.623 15 2HB LEU 2 1HB LEU 2 -9.013 15.150 -11.036 16 HG LEU 2 HG LEU 2 -10.951 15.947 -9.966 17 1HD1 LEU 2 1HD1 LEU 2 -10.384 17.774 -12.294 18 2HD1 LEU 2 2HD1 LEU 2 -9.509 17.724 -10.764 19 3HD1 LEU 2 3HD1 LEU 2 -11.198 18.235 -10.798 20 1HD2 LEU 2 1HD2 LEU 2 -12.300 16.073 -12.658 21 2HD2 LEU 2 2HD2 LEU 2 -13.001 16.584 -11.123 22 3HD2 LEU 2 3HD2 LEU 2 -12.617 14.884 -11.394 23 H SER 3 H SER 3 -7.052 16.155 -13.306 24 HA SER 3 HA SER 3 -6.102 13.796 -14.627 25 1HB SER 3 2HB SER 3 -4.538 16.113 -13.464 26 2HB SER 3 1HB SER 3 -3.922 14.905 -14.594 27 HG SER 3 HG SER 3 -6.032 16.753 -15.094 28 H GLN 4 H GLN 4 -6.638 12.176 -13.112 29 HA GLN 4 HA GLN 4 -5.320 12.265 -10.513 30 1HB GLN 4 2HB GLN 4 -7.222 10.208 -11.656 31 2HB GLN 4 1HB GLN 4 -6.640 10.263 -9.998 32 1HG GLN 4 2HG GLN 4 -7.746 12.433 -9.697 33 2HG GLN 4 1HG GLN 4 -8.365 12.326 -11.346 34 1HE2 GLN 4 1HE2 GLN 4 -10.496 12.353 -10.683 35 2HE2 GLN 4 2HE2 GLN 4 -11.243 11.000 -9.906 36 H THR 5 H THR 5 -3.156 11.994 -11.159 37 HA THR 5 HA THR 5 -2.447 9.468 -12.434 38 HB THR 5 HB THR 5 -0.079 10.416 -12.181 39 HG1 THR 5 1HG THR 5 -0.599 12.950 -12.096 40 1HG2 THR 5 1HG2 THR 5 -1.318 10.445 -14.301 41 2HG2 THR 5 2HG2 THR 5 -0.349 11.907 -14.108 42 3HG2 THR 5 3HG2 THR 5 -2.090 11.959 -13.831 43 H LEU 6 H LEU 6 -0.808 11.157 -9.789 44 HA LEU 6 HA LEU 6 -0.074 8.768 -8.461 45 1HB LEU 6 2HB LEU 6 1.158 10.909 -8.281 46 2HB LEU 6 1HB LEU 6 -0.179 11.584 -7.372 47 HG LEU 6 HG LEU 6 0.210 9.904 -5.595 48 1HD1 LEU 6 1HD1 LEU 6 1.245 8.175 -6.982 49 2HD1 LEU 6 2HD1 LEU 6 2.252 8.592 -5.594 50 3HD1 LEU 6 3HD1 LEU 6 2.661 9.201 -7.199 51 1HD2 LEU 6 1HD2 LEU 6 2.248 10.910 -4.714 52 2HD2 LEU 6 2HD2 LEU 6 1.194 12.130 -5.431 53 3HD2 LEU 6 3HD2 LEU 6 2.620 11.570 -6.306 54 H LEU 7 H LEU 7 -2.897 10.737 -8.350 55 HA LEU 7 HA LEU 7 -3.846 10.016 -5.792 56 1HB LEU 7 2HB LEU 7 -4.719 11.923 -7.120 57 2HB LEU 7 1HB LEU 7 -5.461 10.782 -8.225 58 HG LEU 7 HG LEU 7 -6.889 9.944 -6.409 59 1HD1 LEU 7 1HD1 LEU 7 -5.604 12.124 -4.769 60 2HD1 LEU 7 2HD1 LEU 7 -5.403 10.388 -4.528 61 3HD1 LEU 7 3HD1 LEU 7 -6.980 11.138 -4.276 62 1HD2 LEU 7 1HD2 LEU 7 -8.318 11.903 -6.205 63 2HD2 LEU 7 2HD2 LEU 7 -7.683 11.758 -7.845 64 3HD2 LEU 7 3HD2 LEU 7 -6.993 12.938 -6.730 65 H GLU 8 H GLU 8 -4.598 8.716 -9.029 66 HA GLU 8 HA GLU 8 -6.280 6.637 -8.241 67 1HB GLU 8 2HB GLU 8 -5.959 7.376 -10.580 68 2HB GLU 8 1HB GLU 8 -4.326 6.726 -10.559 69 1HG GLU 8 2HG GLU 8 -5.414 4.489 -10.020 70 2HG GLU 8 1HG GLU 8 -6.925 5.252 -10.506 71 H MET 9 H MET 9 -2.768 6.751 -8.602 72 HA MET 9 HA MET 9 -2.179 4.073 -8.106 73 1HB MET 9 2HB MET 9 -0.578 6.548 -7.426 74 2HB MET 9 1HB MET 9 0.061 4.909 -7.409 75 1HG MET 9 2HG MET 9 -0.206 4.686 -9.751 76 2HG MET 9 1HG MET 9 -1.148 6.172 -9.849 77 1HE MET 9 1HE MET 9 3.357 6.102 -8.840 78 2HE MET 9 2HE MET 9 2.434 4.643 -9.208 79 3HE MET 9 3HE MET 9 2.096 5.555 -7.735 80 H THR 10 H THR 10 -2.308 6.793 -5.818 81 HA THR 10 HA THR 10 -1.811 5.279 -3.495 82 HB THR 10 HB THR 10 -3.422 7.839 -3.641 83 HG1 THR 10 1HG THR 10 -1.487 8.258 -4.688 84 1HG2 THR 10 1HG2 THR 10 -2.450 8.226 -1.396 85 2HG2 THR 10 2HG2 THR 10 -1.710 6.625 -1.464 86 3HG2 THR 10 3HG2 THR 10 -3.468 6.787 -1.452 87 H GLU 11 H GLU 11 -4.861 6.426 -4.932 88 HA GLU 11 HA GLU 11 -6.644 5.383 -3.080 89 1HB GLU 11 2HB GLU 11 -6.870 5.895 -6.036 90 2HB GLU 11 1HB GLU 11 -8.235 5.317 -5.102 91 1HG GLU 11 2HG GLU 11 -6.715 7.843 -4.506 92 2HG GLU 11 1HG GLU 11 -8.199 7.770 -5.450 93 H GLN 12 H GLN 12 -5.267 3.843 -5.961 94 HA GLN 12 HA GLN 12 -6.641 1.398 -5.761 95 1HB GLN 12 2HB GLN 12 -5.412 2.077 -7.769 96 2HB GLN 12 1HB GLN 12 -3.892 1.965 -6.891 97 1HG GLN 12 2HG GLN 12 -4.242 0.033 -8.319 98 2HG GLN 12 1HG GLN 12 -4.203 -0.430 -6.620 99 1HE2 GLN 12 1HE2 GLN 12 -5.332 -2.310 -6.944 100 2HE2 GLN 12 2HE2 GLN 12 -7.013 -2.336 -7.331 101 H MET 13 H MET 13 -3.497 2.424 -4.478 102 HA MET 13 HA MET 13 -2.833 -0.062 -3.310 103 1HB MET 13 2HB MET 13 -1.884 2.743 -2.730 104 2HB MET 13 1HB MET 13 -1.213 1.322 -1.944 105 1HG MET 13 2HG MET 13 -0.564 0.430 -4.130 106 2HG MET 13 1HG MET 13 -1.220 1.870 -4.903 107 1HE MET 13 1HE MET 13 1.589 0.418 -2.586 108 2HE MET 13 2HE MET 13 0.801 1.588 -1.527 109 3HE MET 13 3HE MET 13 2.443 1.882 -2.096 110 H ILE 14 H ILE 14 -4.616 2.725 -2.104 111 HA ILE 14 HA ILE 14 -4.822 1.913 0.587 112 HB ILE 14 HB ILE 14 -6.747 3.552 -1.076 113 1HG1 ILE 14 2HG1 ILE 14 -4.581 4.357 0.878 114 2HG1 ILE 14 1HG1 ILE 14 -4.505 4.530 -0.870 115 1HG2 ILE 14 1HG2 ILE 14 -7.875 2.596 0.867 116 2HG2 ILE 14 2HG2 ILE 14 -7.668 4.340 1.047 117 3HG2 ILE 14 3HG2 ILE 14 -6.610 3.230 1.918 118 1HD1 ILE 14 1HD1 ILE 14 -6.463 5.925 0.936 119 2HD1 ILE 14 2HD1 ILE 14 -6.331 6.126 -0.811 120 3HD1 ILE 14 3HD1 ILE 14 -5.010 6.641 0.240 121 H GLU 15 H GLU 15 -6.853 1.267 -2.243 122 HA GLU 15 HA GLU 15 -8.813 -0.255 -0.898 123 1HB GLU 15 2HB GLU 15 -9.136 0.690 -3.151 124 2HB GLU 15 1HB GLU 15 -7.924 -0.414 -3.786 125 1HG GLU 15 2HG GLU 15 -9.318 -2.311 -3.236 126 2HG GLU 15 1HG GLU 15 -10.517 -1.245 -2.503 127 H VAL 16 H VAL 16 -5.770 -1.145 -2.466 128 HA VAL 16 HA VAL 16 -5.980 -3.934 -2.184 129 HB VAL 16 HB VAL 16 -3.487 -2.215 -2.181 130 1HG1 VAL 16 1HG1 VAL 16 -2.289 -4.253 -2.821 131 2HG1 VAL 16 2HG1 VAL 16 -3.773 -5.186 -2.626 132 3HG1 VAL 16 3HG1 VAL 16 -3.026 -4.416 -1.227 133 1HG2 VAL 16 1HG2 VAL 16 -4.895 -3.698 -4.397 134 2HG2 VAL 16 2HG2 VAL 16 -3.333 -2.894 -4.549 135 3HG2 VAL 16 3HG2 VAL 16 -4.781 -1.948 -4.210 136 H ALA 17 H ALA 17 -4.752 -1.450 0.022 137 HA ALA 17 HA ALA 17 -3.830 -3.208 2.025 138 1HB ALA 17 1HB ALA 17 -3.183 -0.842 1.906 139 2HB ALA 17 2HB ALA 17 -3.827 -1.273 3.492 140 3HB ALA 17 3HB ALA 17 -4.830 -0.384 2.346 141 H GLU 18 H GLU 18 -6.935 -1.515 1.630 142 HA GLU 18 HA GLU 18 -8.266 -2.450 3.871 143 1HB GLU 18 2HB GLU 18 -9.226 -1.786 1.096 144 2HB GLU 18 1HB GLU 18 -10.322 -2.196 2.397 145 1HG GLU 18 2HG GLU 18 -8.374 0.088 2.465 146 2HG GLU 18 1HG GLU 18 -10.073 0.229 2.022 147 H LYS 19 H LYS 19 -8.064 -3.878 0.629 148 HA LYS 19 HA LYS 19 -9.617 -6.172 1.221 149 1HB LYS 19 2HB LYS 19 -7.914 -5.260 -1.016 150 2HB LYS 19 1HB LYS 19 -8.107 -7.000 -0.865 151 1HG LYS 19 2HG LYS 19 -9.737 -5.969 -2.395 152 2HG LYS 19 1HG LYS 19 -10.495 -6.804 -1.039 153 1HD LYS 19 2HD LYS 19 -10.811 -4.659 0.101 154 2HD LYS 19 1HD LYS 19 -10.057 -3.826 -1.262 155 1HE LYS 19 2HE LYS 19 -11.822 -4.550 -2.738 156 2HE LYS 19 1HE LYS 19 -12.539 -5.526 -1.456 157 1HZ LYS 19 1HZ LYS 19 -13.749 -3.483 -1.681 158 2HZ LYS 19 2HZ LYS 19 -12.338 -2.560 -1.516 159 3HZ LYS 19 3HZ LYS 19 -12.919 -3.460 -0.203 160 H GLY 20 H GLY 20 -6.165 -5.501 1.395 161 1HA GLY 20 2HA GLY 20 -5.255 -8.118 1.851 162 2HA GLY 20 1HA GLY 20 -4.460 -6.653 2.412 163 H ALA 21 H ALA 21 -6.182 -5.611 4.194 164 HA ALA 21 HA ALA 21 -5.881 -7.224 6.492 165 1HB ALA 21 1HB ALA 21 -7.196 -5.524 7.642 166 2HB ALA 21 2HB ALA 21 -7.695 -4.841 6.095 167 3HB ALA 21 3HB ALA 21 -6.002 -4.775 6.584 168 H ASP 22 H ASP 22 -8.639 -6.514 4.422 169 HA ASP 22 HA ASP 22 -10.643 -7.900 5.767 170 1HB ASP 22 2HB ASP 22 -11.310 -6.534 3.969 171 2HB ASP 22 1HB ASP 22 -10.147 -7.264 2.870 172 H ARG 23 H ARG 23 -8.285 -9.014 3.409 173 HA ARG 23 HA ARG 23 -9.336 -11.621 3.111 174 1HB ARG 23 2HB ARG 23 -7.688 -10.214 1.642 175 2HB ARG 23 1HB ARG 23 -6.455 -10.973 2.637 176 1HG ARG 23 2HG ARG 23 -6.887 -12.128 0.489 177 2HG ARG 23 1HG ARG 23 -7.108 -13.149 1.911 178 1HD ARG 23 2HD ARG 23 -8.869 -13.170 -0.018 179 2HD ARG 23 1HD ARG 23 -9.389 -13.239 1.662 180 HE ARG 23 HE ARG 23 -9.922 -10.866 1.498 181 1HH1 ARG 23 1HH1 ARG 23 -9.400 -12.543 -1.532 182 2HH1 ARG 23 2HH1 ARG 23 -10.392 -11.449 -2.450 183 1HH2 ARG 23 1HH2 ARG 23 -11.228 -9.451 0.321 184 2HH2 ARG 23 2HH2 ARG 23 -11.448 -9.705 -1.387 185 H TYR 24 H TYR 24 -6.790 -10.268 5.157 186 HA TYR 24 HA TYR 24 -6.006 -12.825 6.185 187 1HB TYR 24 2HB TYR 24 -4.484 -10.841 6.094 188 2HB TYR 24 1HB TYR 24 -5.447 -10.099 7.369 189 HD1 TYR 24 1HD TYR 24 -5.291 -10.873 9.659 190 HD2 TYR 24 2HD TYR 24 -3.081 -12.785 6.565 191 HE1 TYR 24 1HE TYR 24 -3.958 -12.057 11.348 192 HE2 TYR 24 2HE TYR 24 -1.738 -13.969 8.250 193 HH TYR 24 HH TYR 24 -2.623 -14.252 11.421 194 H GLN 25 H GLN 25 -8.143 -10.235 7.239 195 HA GLN 25 HA GLN 25 -8.609 -11.228 9.847 196 1HB GLN 25 2HB GLN 25 -9.102 -8.890 8.904 197 2HB GLN 25 1HB GLN 25 -10.576 -9.592 8.255 198 1HG GLN 25 2HG GLN 25 -11.400 -10.081 10.423 199 2HG GLN 25 1HG GLN 25 -9.851 -9.682 11.171 200 1HE2 GLN 25 1HE2 GLN 25 -12.761 -8.448 9.748 201 2HE2 GLN 25 2HE2 GLN 25 -12.543 -6.792 10.231 202 H GLU 26 H GLU 26 -10.212 -11.757 6.743 203 HA GLU 26 HA GLU 26 -12.245 -13.488 7.679 204 1HB GLU 26 2HB GLU 26 -12.342 -12.534 5.447 205 2HB GLU 26 1HB GLU 26 -10.839 -13.324 5.004 206 1HG GLU 26 2HG GLU 26 -12.540 -14.576 3.991 207 2HG GLU 26 1HG GLU 26 -12.016 -15.518 5.384 208 H GLY 27 H GLY 27 -8.950 -14.007 6.542 209 1HA GLY 27 2HA GLY 27 -7.719 -15.773 7.815 210 2HA GLY 27 1HA GLY 27 -9.112 -16.798 7.489 211 H LYS 28 H LYS 28 -9.694 -16.903 5.097 212 HA LYS 28 HA LYS 28 -7.551 -16.552 3.224 213 1HB LYS 28 2HB LYS 28 -7.316 -18.905 2.607 214 2HB LYS 28 1HB LYS 28 -6.858 -18.660 4.286 215 1HG LYS 28 2HG LYS 28 -9.050 -19.516 4.994 216 2HG LYS 28 1HG LYS 28 -9.469 -19.795 3.302 217 1HD LYS 28 2HD LYS 28 -7.506 -21.308 3.123 218 2HD LYS 28 1HD LYS 28 -7.241 -21.103 4.857 219 1HE LYS 28 2HE LYS 28 -9.488 -22.003 5.287 220 2HE LYS 28 1HE LYS 28 -9.715 -22.238 3.554 221 1HZ LYS 28 1HZ LYS 28 -7.718 -23.717 3.634 222 2HZ LYS 28 2HZ LYS 28 -9.069 -24.304 4.468 223 3HZ LYS 28 3HZ LYS 28 -7.779 -23.620 5.330 224 H ASN 29 H ASN 29 -8.331 -16.403 1.161 225 HA ASN 29 HA ASN 29 -11.073 -17.337 0.691 226 1HB ASN 29 2HB ASN 29 -11.060 -14.863 0.992 227 2HB ASN 29 1HB ASN 29 -9.951 -14.731 -0.370 228 1HD2 ASN 29 1HD2 ASN 29 -13.206 -15.490 0.622 229 2HD2 ASN 29 2HD2 ASN 29 -13.916 -15.398 -0.957 230 H SER 30 H SER 30 -9.611 -19.120 0.022 231 HA SER 30 HA SER 30 -9.481 -19.155 -2.847 232 1HB SER 30 2HB SER 30 -6.940 -19.631 -1.248 233 2HB SER 30 1HB SER 30 -7.123 -19.870 -2.985 234 HG SER 30 HG SER 30 -7.933 -17.399 -2.326 235 H ASN 31 H ASN 31 -10.874 -20.881 -2.890 236 HA ASN 31 HA ASN 31 -10.489 -23.027 -0.969 237 1HB ASN 31 2HB ASN 31 -12.774 -22.146 -1.470 238 2HB ASN 31 1HB ASN 31 -12.623 -22.801 -3.097 239 1HD2 ASN 31 1HD2 ASN 31 -14.410 -24.166 -2.758 240 2HD2 ASN 31 2HD2 ASN 31 -14.279 -25.591 -1.772 241 H HIS 32 H HIS 32 -8.384 -23.420 -2.008 242 HA HIS 32 HA HIS 32 -8.377 -25.892 -3.282 243 1HB HIS 32 2HB HIS 32 -9.115 -24.440 -5.258 244 2HB HIS 32 1HB HIS 32 -7.516 -23.707 -5.194 245 HD1 HIS 32 1HD HIS 32 -5.547 -25.088 -6.119 246 HD2 HIS 32 2HD HIS 32 -9.177 -27.115 -6.156 247 HE1 HIS 32 1HE HIS 32 -5.162 -27.139 -7.512 248 HE2 HIS 32 2HE HIS 32 -7.315 -28.439 -7.369 249 H SER 33 H SER 33 -6.402 -26.788 -2.931 250 HA SER 33 HA SER 33 -4.384 -25.439 -1.559 251 1HB SER 33 2HB SER 33 -4.178 -27.937 -3.255 252 2HB SER 33 1HB SER 33 -2.989 -27.414 -2.061 253 HG SER 33 HG SER 33 -4.454 -28.967 -1.210 254 H TYR 34 H TYR 34 -2.551 -24.386 -2.172 255 HA TYR 34 HA TYR 34 -2.083 -24.037 -5.046 256 1HB TYR 34 2HB TYR 34 -1.531 -21.607 -4.506 257 2HB TYR 34 1HB TYR 34 -3.233 -22.047 -4.479 258 HD1 TYR 34 1HD TYR 34 -0.344 -21.075 -2.423 259 HD2 TYR 34 2HD TYR 34 -4.489 -22.036 -2.411 260 HE1 TYR 34 1HE TYR 34 -0.544 -20.166 -0.145 261 HE2 TYR 34 2HE TYR 34 -4.698 -21.133 -0.136 262 HH TYR 34 HH TYR 34 -2.269 -19.258 1.347 263 H ASP 35 H ASP 35 0.045 -23.652 -5.659 264 HA ASP 35 HA ASP 35 2.042 -24.230 -3.568 265 1HB ASP 35 2HB ASP 35 2.250 -24.620 -6.567 266 2HB ASP 35 1HB ASP 35 3.499 -25.020 -5.394 267 H PHE 36 H PHE 36 2.009 -22.648 -6.748 268 HA PHE 36 HA PHE 36 2.786 -20.100 -5.769 269 1HB PHE 36 2HB PHE 36 4.905 -21.660 -5.612 270 2HB PHE 36 1HB PHE 36 4.968 -21.431 -7.356 271 HD1 PHE 36 1HD PHE 36 4.961 -19.620 -4.127 272 HD2 PHE 36 2HD PHE 36 5.915 -19.494 -8.273 273 HE1 PHE 36 1HE PHE 36 6.156 -17.501 -3.781 274 HE2 PHE 36 2HE PHE 36 7.113 -17.369 -7.933 275 HZ PHE 36 HZ PHE 36 7.237 -16.373 -5.685 276 H PHE 37 H PHE 37 3.529 -18.736 -7.781 277 HA PHE 37 HA PHE 37 3.233 -17.969 -9.869 278 1HB PHE 37 2HB PHE 37 3.977 -20.461 -10.352 279 2HB PHE 37 1HB PHE 37 2.306 -20.637 -10.866 280 HD1 PHE 37 1HD PHE 37 5.296 -18.484 -11.402 281 HD2 PHE 37 2HD PHE 37 1.734 -20.128 -13.055 282 HE1 PHE 37 1HE PHE 37 5.899 -17.571 -13.607 283 HE2 PHE 37 2HE PHE 37 2.334 -19.217 -15.258 284 HZ PHE 37 HZ PHE 37 4.417 -17.939 -15.539 285 H GLU 38 H GLU 38 1.290 -18.688 -11.747 286 HA GLU 38 HA GLU 38 -0.790 -18.142 -12.375 287 1HB GLU 38 2HB GLU 38 -1.531 -20.022 -11.026 288 2HB GLU 38 1HB GLU 38 -1.552 -18.995 -9.601 289 1HG GLU 38 2HG GLU 38 -3.254 -17.600 -10.640 290 2HG GLU 38 1HG GLU 38 -3.267 -18.666 -12.039 291 H THR 39 H THR 39 -1.170 -17.188 -8.986 292 HA THR 39 HA THR 39 -1.301 -14.393 -9.897 293 HB THR 39 HB THR 39 -3.469 -15.151 -9.074 294 HG1 THR 39 1HG THR 39 -2.710 -13.573 -6.912 295 1HG2 THR 39 1HG2 THR 39 -2.726 -16.932 -7.583 296 2HG2 THR 39 2HG2 THR 39 -3.789 -15.809 -6.737 297 3HG2 THR 39 3HG2 THR 39 -2.046 -15.739 -6.477 298 H ILE 40 H ILE 40 0.214 -16.669 -7.776 299 HA ILE 40 HA ILE 40 1.330 -14.620 -6.062 300 HB ILE 40 HB ILE 40 2.095 -17.547 -6.130 301 1HG1 ILE 40 2HG1 ILE 40 0.683 -17.424 -3.896 302 2HG1 ILE 40 1HG1 ILE 40 -0.121 -16.104 -4.730 303 1HG2 ILE 40 1HG2 ILE 40 3.765 -16.126 -5.073 304 2HG2 ILE 40 2HG2 ILE 40 2.945 -17.111 -3.861 305 3HG2 ILE 40 3HG2 ILE 40 2.525 -15.408 -4.045 306 1HD1 ILE 40 1HD1 ILE 40 -0.702 -17.602 -6.558 307 2HD1 ILE 40 2HD1 ILE 40 -1.316 -18.193 -5.014 308 3HD1 ILE 40 3HD1 ILE 40 0.118 -18.925 -5.732 309 H LYS 41 H LYS 41 2.132 -13.560 -8.030 310 HA LYS 41 HA LYS 41 4.835 -13.325 -7.897 311 1HB LYS 41 2HB LYS 41 4.892 -15.590 -9.053 312 2HB LYS 41 1HB LYS 41 4.216 -14.791 -10.469 313 1HG LYS 41 2HG LYS 41 6.156 -13.280 -10.524 314 2HG LYS 41 1HG LYS 41 6.842 -14.133 -9.141 315 1HD LYS 41 2HD LYS 41 7.913 -15.044 -11.021 316 2HD LYS 41 1HD LYS 41 6.695 -16.234 -10.567 317 1HE LYS 41 2HE LYS 41 6.657 -15.979 -12.949 318 2HE LYS 41 1HE LYS 41 5.186 -15.265 -12.288 319 1HZ LYS 41 1HZ LYS 41 6.251 -13.905 -14.029 320 2HZ LYS 41 2HZ LYS 41 7.614 -13.718 -13.033 321 3HZ LYS 41 3HZ LYS 41 6.118 -13.083 -12.549 322 HA PRO 42 HA PRO 42 3.359 -10.958 -11.882 323 1HB PRO 42 2HB PRO 42 0.664 -11.155 -12.414 324 2HB PRO 42 1HB PRO 42 1.914 -12.096 -13.235 325 1HG PRO 42 2HG PRO 42 0.150 -12.877 -10.950 326 2HG PRO 42 1HG PRO 42 0.621 -13.822 -12.375 327 1HD PRO 42 2HD PRO 42 1.790 -14.223 -10.005 328 2HD PRO 42 1HD PRO 42 2.721 -14.306 -11.514 329 H ALA 43 H ALA 43 0.730 -11.436 -9.518 330 HA ALA 43 HA ALA 43 -0.065 -8.745 -9.370 331 1HB ALA 43 1HB ALA 43 -1.167 -9.382 -7.276 332 2HB ALA 43 2HB ALA 43 -0.279 -10.907 -7.277 333 3HB ALA 43 3HB ALA 43 -1.452 -10.570 -8.549 334 H VAL 44 H VAL 44 2.404 -10.582 -7.678 335 HA VAL 44 HA VAL 44 3.092 -8.590 -5.785 336 HB VAL 44 HB VAL 44 4.874 -10.752 -6.934 337 1HG1 VAL 44 1HG1 VAL 44 5.042 -9.250 -4.320 338 2HG1 VAL 44 2HG1 VAL 44 6.089 -9.010 -5.720 339 3HG1 VAL 44 3HG1 VAL 44 6.121 -10.542 -4.848 340 1HG2 VAL 44 1HG2 VAL 44 4.198 -12.094 -4.990 341 2HG2 VAL 44 2HG2 VAL 44 2.832 -11.725 -6.042 342 3HG2 VAL 44 3HG2 VAL 44 3.046 -10.838 -4.533 343 H GLU 45 H GLU 45 4.381 -9.465 -8.976 344 HA GLU 45 HA GLU 45 6.389 -7.517 -9.109 345 1HB GLU 45 2HB GLU 45 4.830 -8.921 -11.282 346 2HB GLU 45 1HB GLU 45 6.243 -7.924 -11.577 347 1HG GLU 45 2HG GLU 45 7.630 -9.413 -10.284 348 2HG GLU 45 1HG GLU 45 6.224 -10.367 -9.819 349 H GLU 46 H GLU 46 3.009 -7.434 -10.227 350 HA GLU 46 HA GLU 46 2.931 -4.903 -11.337 351 1HB GLU 46 2HB GLU 46 0.879 -6.471 -9.789 352 2HB GLU 46 1HB GLU 46 0.525 -4.971 -10.598 353 1HG GLU 46 2HG GLU 46 1.663 -7.316 -12.056 354 2HG GLU 46 1HG GLU 46 -0.070 -7.101 -11.814 355 H ASN 47 H ASN 47 2.136 -5.861 -8.007 356 HA ASN 47 HA ASN 47 1.744 -3.209 -7.099 357 1HB ASN 47 2HB ASN 47 2.170 -5.813 -5.634 358 2HB ASN 47 1HB ASN 47 1.886 -4.286 -4.798 359 1HD2 ASN 47 1HD2 ASN 47 0.264 -6.757 -4.937 360 2HD2 ASN 47 2HD2 ASN 47 -1.287 -6.259 -5.517 361 H ASP 48 H ASP 48 4.548 -5.228 -7.389 362 HA ASP 48 HA ASP 48 6.319 -3.768 -5.747 363 1HB ASP 48 2HB ASP 48 6.915 -5.975 -6.602 364 2HB ASP 48 1HB ASP 48 6.861 -5.376 -8.255 365 H GLU 49 H GLU 49 5.637 -3.563 -9.234 366 HA GLU 49 HA GLU 49 7.198 -1.263 -9.735 367 1HB GLU 49 2HB GLU 49 4.731 -2.300 -11.150 368 2HB GLU 49 1HB GLU 49 5.732 -0.987 -11.751 369 1HG GLU 49 2HG GLU 49 7.639 -2.531 -11.871 370 2HG GLU 49 1HG GLU 49 6.587 -3.839 -11.332 371 H LEU 50 H LEU 50 3.846 -1.735 -8.802 372 HA LEU 50 HA LEU 50 2.923 0.891 -9.025 373 1HB LEU 50 2HB LEU 50 1.765 -1.433 -8.413 374 2HB LEU 50 1HB LEU 50 1.964 -0.827 -6.783 375 HG LEU 50 HG LEU 50 0.709 1.241 -7.494 376 1HD1 LEU 50 1HD1 LEU 50 -0.647 1.082 -9.522 377 2HD1 LEU 50 2HD1 LEU 50 0.126 -0.455 -9.920 378 3HD1 LEU 50 3HD1 LEU 50 1.075 1.032 -9.899 379 1HD2 LEU 50 1HD2 LEU 50 -0.754 -1.386 -7.750 380 2HD2 LEU 50 2HD2 LEU 50 -1.470 0.169 -7.331 381 3HD2 LEU 50 3HD2 LEU 50 -0.326 -0.600 -6.230 382 H ALA 51 H ALA 51 4.194 -0.814 -6.164 383 HA ALA 51 HA ALA 51 4.051 1.443 -4.453 384 1HB ALA 51 1HB ALA 51 4.059 -0.863 -3.622 385 2HB ALA 51 2HB ALA 51 5.326 0.109 -2.875 386 3HB ALA 51 3HB ALA 51 5.732 -1.044 -4.148 387 H ALA 52 H ALA 52 6.654 0.066 -6.421 388 HA ALA 52 HA ALA 52 8.731 1.686 -5.431 389 1HB ALA 52 1HB ALA 52 8.456 0.515 -8.196 390 2HB ALA 52 2HB ALA 52 9.118 -0.319 -6.790 391 3HB ALA 52 3HB ALA 52 9.945 1.093 -7.449 392 H ARG 53 H ARG 53 6.459 2.159 -8.106 393 HA ARG 53 HA ARG 53 7.557 4.669 -8.884 394 1HB ARG 53 2HB ARG 53 5.526 2.846 -9.802 395 2HB ARG 53 1HB ARG 53 4.902 4.485 -9.796 396 1HG ARG 53 2HG ARG 53 7.494 3.675 -11.090 397 2HG ARG 53 1HG ARG 53 5.952 3.780 -11.939 398 1HD ARG 53 2HD ARG 53 5.845 6.095 -11.712 399 2HD ARG 53 1HD ARG 53 7.001 6.113 -10.382 400 HE ARG 53 HE ARG 53 8.750 5.660 -12.005 401 1HH1 ARG 53 1HH1 ARG 53 5.652 6.612 -13.354 402 2HH1 ARG 53 2HH1 ARG 53 6.358 7.313 -14.784 403 1HH2 ARG 53 1HH2 ARG 53 9.665 6.558 -13.849 404 2HH2 ARG 53 2HH2 ARG 53 8.658 7.288 -15.064 405 H TRP 54 H TRP 54 4.952 3.622 -6.766 406 HA TRP 54 HA TRP 54 3.834 6.172 -6.284 407 1HB TRP 54 2HB TRP 54 2.709 4.058 -5.678 408 2HB TRP 54 1HB TRP 54 3.933 3.766 -4.446 409 HD1 TRP 54 HD TRP 54 1.026 6.158 -5.237 410 HE1 TRP 54 1HE TRP 54 0.181 7.177 -3.031 411 HE3 TRP 54 3HE TRP 54 4.554 4.251 -2.075 412 HZ2 TRP 54 2HZ TRP 54 0.931 7.178 -0.307 413 HZ3 TRP 54 3HZ TRP 54 4.424 4.813 0.313 414 HH2 TRP 54 HH TRP 54 2.649 6.246 1.179 415 H ALA 55 H ALA 55 6.341 4.306 -4.625 416 HA ALA 55 HA ALA 55 6.941 6.096 -2.581 417 1HB ALA 55 1HB ALA 55 7.826 3.832 -2.655 418 2HB ALA 55 2HB ALA 55 9.136 5.002 -2.496 419 3HB ALA 55 3HB ALA 55 8.812 4.246 -4.057 420 H GLU 56 H GLU 56 8.260 5.887 -5.875 421 HA GLU 56 HA GLU 56 10.068 7.965 -5.743 422 1HB GLU 56 2HB GLU 56 9.694 6.131 -7.505 423 2HB GLU 56 1HB GLU 56 8.474 7.207 -8.176 424 1HG GLU 56 2HG GLU 56 10.201 8.946 -8.286 425 2HG GLU 56 1HG GLU 56 11.385 7.731 -7.838 426 H GLY 57 H GLY 57 6.627 7.892 -6.535 427 1HA GLY 57 2HA GLY 57 6.379 10.628 -7.238 428 2HA GLY 57 1HA GLY 57 5.066 9.557 -6.761 429 H ALA 58 H ALA 58 5.849 8.886 -4.195 430 HA ALA 58 HA ALA 58 5.011 11.125 -2.692 431 1HB ALA 58 1HB ALA 58 4.644 8.809 -1.971 432 2HB ALA 58 2HB ALA 58 5.470 9.755 -0.732 433 3HB ALA 58 3HB ALA 58 6.379 8.614 -1.722 434 H LEU 59 H LEU 59 8.206 9.614 -3.106 435 HA LEU 59 HA LEU 59 9.690 11.309 -1.476 436 1HB LEU 59 2HB LEU 59 10.345 9.701 -3.928 437 2HB LEU 59 1HB LEU 59 11.553 10.644 -3.101 438 HG LEU 59 HG LEU 59 9.966 8.407 -1.847 439 1HD1 LEU 59 1HD1 LEU 59 12.812 8.482 -2.832 440 2HD1 LEU 59 2HD1 LEU 59 11.486 7.551 -3.530 441 3HD1 LEU 59 3HD1 LEU 59 12.085 7.162 -1.915 442 1HD2 LEU 59 1HD2 LEU 59 11.585 8.599 -0.019 443 2HD2 LEU 59 2HD2 LEU 59 10.658 10.084 -0.224 444 3HD2 LEU 59 3HD2 LEU 59 12.316 9.992 -0.817 445 H GLU 60 H GLU 60 8.603 11.636 -4.778 446 HA GLU 60 HA GLU 60 9.989 13.973 -5.489 447 1HB GLU 60 2HB GLU 60 8.748 12.526 -7.069 448 2HB GLU 60 1HB GLU 60 7.237 13.056 -6.349 449 1HG GLU 60 2HG GLU 60 7.578 14.225 -8.398 450 2HG GLU 60 1HG GLU 60 7.756 15.362 -7.062 451 H LEU 61 H LEU 61 6.708 13.546 -4.184 452 HA LEU 61 HA LEU 61 6.103 16.282 -4.043 453 1HB LEU 61 2HB LEU 61 4.929 13.801 -2.943 454 2HB LEU 61 1HB LEU 61 4.481 15.298 -2.150 455 HG LEU 61 HG LEU 61 2.831 14.681 -3.835 456 1HD1 LEU 61 1HD1 LEU 61 2.783 16.774 -5.098 457 2HD1 LEU 61 2HD1 LEU 61 4.455 17.091 -4.632 458 3HD1 LEU 61 3HD1 LEU 61 3.192 17.042 -3.403 459 1HD2 LEU 61 1HD2 LEU 61 3.370 14.644 -6.201 460 2HD2 LEU 61 2HD2 LEU 61 4.305 13.425 -5.334 461 3HD2 LEU 61 3HD2 LEU 61 5.070 14.934 -5.837 462 H ILE 62 H ILE 62 7.539 14.108 -1.635 463 HA ILE 62 HA ILE 62 7.228 15.919 0.526 464 HB ILE 62 HB ILE 62 8.762 14.519 1.788 465 1HG1 ILE 62 2HG1 ILE 62 9.173 12.985 -0.785 466 2HG1 ILE 62 1HG1 ILE 62 10.361 14.055 -0.043 467 1HG2 ILE 62 1HG2 ILE 62 6.436 13.834 1.595 468 2HG2 ILE 62 2HG2 ILE 62 7.492 12.424 1.677 469 3HG2 ILE 62 3HG2 ILE 62 6.810 12.926 0.130 470 1HD1 ILE 62 1HD1 ILE 62 10.448 12.606 1.910 471 2HD1 ILE 62 2HD1 ILE 62 10.838 11.725 0.433 472 3HD1 ILE 62 3HD1 ILE 62 9.250 11.539 1.177 473 H LYS 63 H LYS 63 9.764 15.595 -1.907 474 HA LYS 63 HA LYS 63 11.514 17.306 -0.369 475 1HB LYS 63 2HB LYS 63 13.029 17.249 -2.291 476 2HB LYS 63 1HB LYS 63 12.563 15.640 -1.771 477 1HG LYS 63 2HG LYS 63 11.058 15.421 -3.642 478 2HG LYS 63 1HG LYS 63 11.378 17.091 -4.129 479 1HD LYS 63 2HD LYS 63 13.607 16.607 -4.701 480 2HD LYS 63 1HD LYS 63 13.573 15.053 -3.871 481 1HE LYS 63 2HE LYS 63 13.468 14.528 -6.152 482 2HE LYS 63 1HE LYS 63 11.810 14.367 -5.575 483 1HZ LYS 63 1HZ LYS 63 12.953 16.651 -7.095 484 2HZ LYS 63 2HZ LYS 63 11.392 16.626 -6.438 485 3HZ LYS 63 3HZ LYS 63 11.814 15.522 -7.645 486 H VAL 64 H VAL 64 9.087 17.652 -2.801 487 HA VAL 64 HA VAL 64 9.821 20.360 -3.462 488 HB VAL 64 HB VAL 64 7.264 18.865 -4.069 489 1HG1 VAL 64 1HG1 VAL 64 6.957 21.269 -4.198 490 2HG1 VAL 64 2HG1 VAL 64 6.968 20.573 -5.819 491 3HG1 VAL 64 3HG1 VAL 64 8.392 21.418 -5.211 492 1HG2 VAL 64 1HG2 VAL 64 8.235 18.536 -6.298 493 2HG2 VAL 64 2HG2 VAL 64 9.213 17.771 -5.046 494 3HG2 VAL 64 3HG2 VAL 64 9.730 19.301 -5.757 495 H ARG 65 H ARG 65 7.220 18.829 -1.545 496 HA ARG 65 HA ARG 65 7.031 21.322 -0.011 497 1HB ARG 65 2HB ARG 65 4.598 21.249 0.029 498 2HB ARG 65 1HB ARG 65 5.171 21.366 -1.629 499 1HG ARG 65 2HG ARG 65 4.586 19.158 -2.111 500 2HG ARG 65 1HG ARG 65 4.472 18.720 -0.406 501 1HD ARG 65 2HD ARG 65 2.262 18.926 -1.464 502 2HD ARG 65 1HD ARG 65 2.486 20.081 -0.152 503 HE ARG 65 HE ARG 65 3.168 21.211 -2.678 504 1HH1 ARG 65 1HH1 ARG 65 0.440 20.387 -0.612 505 2HH1 ARG 65 2HH1 ARG 65 -0.594 21.596 -1.311 506 1HH2 ARG 65 1HH2 ARG 65 1.797 22.789 -3.580 507 2HH2 ARG 65 2HH2 ARG 65 0.179 22.966 -2.986 508 H ARG 66 H ARG 66 5.804 20.984 2.059 509 HA ARG 66 HA ARG 66 6.547 18.407 3.207 510 1HB ARG 66 2HB ARG 66 5.650 21.013 4.438 511 2HB ARG 66 1HB ARG 66 5.875 19.545 5.379 512 1HG ARG 66 2HG ARG 66 8.220 19.462 4.690 513 2HG ARG 66 1HG ARG 66 7.990 20.937 3.753 514 1HD ARG 66 2HD ARG 66 7.588 22.215 5.726 515 2HD ARG 66 1HD ARG 66 7.514 20.762 6.722 516 HE ARG 66 HE ARG 66 10.003 20.775 5.506 517 1HH1 ARG 66 1HH1 ARG 66 8.260 22.850 7.735 518 2HH1 ARG 66 2HH1 ARG 66 9.694 23.320 8.599 519 1HH2 ARG 66 1HH2 ARG 66 11.885 21.413 6.626 520 2HH2 ARG 66 2HH2 ARG 66 11.753 22.510 7.971 521 HA PRO 67 HA PRO 67 2.329 17.140 2.530 522 1HB PRO 67 2HB PRO 67 3.116 14.574 3.637 523 2HB PRO 67 1HB PRO 67 2.704 14.986 1.971 524 1HG PRO 67 2HG PRO 67 5.218 14.314 2.759 525 2HG PRO 67 1HG PRO 67 4.884 15.400 1.400 526 1HD PRO 67 2HD PRO 67 5.683 16.069 4.207 527 2HD PRO 67 1HD PRO 67 6.235 16.786 2.677 528 H LYS 68 H LYS 68 3.780 17.800 5.359 529 HA LYS 68 HA LYS 68 2.944 18.393 7.375 530 1HB LYS 68 2HB LYS 68 0.271 17.501 6.279 531 2HB LYS 68 1HB LYS 68 0.527 18.479 7.719 532 1HG LYS 68 2HG LYS 68 1.271 20.324 6.462 533 2HG LYS 68 1HG LYS 68 1.457 19.350 5.003 534 1HD LYS 68 2HD LYS 68 -1.004 18.991 5.000 535 2HD LYS 68 1HD LYS 68 -1.122 20.110 6.362 536 1HE LYS 68 2HE LYS 68 -1.592 21.175 4.175 537 2HE LYS 68 1HE LYS 68 -0.234 21.904 5.030 538 1HZ LYS 68 1HZ LYS 68 1.293 20.814 3.609 539 2HZ LYS 68 2HZ LYS 68 0.125 21.516 2.606 540 3HZ LYS 68 3HZ LYS 68 0.088 19.844 2.913 541 H TYR 69 H TYR 69 0.968 15.547 6.528 542 HA TYR 69 HA TYR 69 1.088 14.634 9.252 543 1HB TYR 69 2HB TYR 69 0.034 12.950 7.014 544 2HB TYR 69 1HB TYR 69 -0.549 13.093 8.666 545 HD1 TYR 69 1HD TYR 69 -0.909 14.209 5.283 546 HD2 TYR 69 2HD TYR 69 -1.788 15.231 9.318 547 HE1 TYR 69 1HE TYR 69 -2.644 15.760 4.503 548 HE2 TYR 69 2HE TYR 69 -3.533 16.785 8.545 549 HH TYR 69 HH TYR 69 -4.700 16.794 5.341 550 H VAL 70 H VAL 70 2.126 13.249 6.139 551 HA VAL 70 HA VAL 70 3.307 10.991 7.481 552 HB VAL 70 HB VAL 70 2.116 10.701 5.354 553 1HG1 VAL 70 1HG1 VAL 70 4.373 12.293 4.152 554 2HG1 VAL 70 2HG1 VAL 70 2.683 12.785 4.262 555 3HG1 VAL 70 3HG1 VAL 70 3.139 11.417 3.247 556 1HG2 VAL 70 1HG2 VAL 70 3.780 9.054 5.981 557 2HG2 VAL 70 2HG2 VAL 70 5.047 10.007 5.207 558 3HG2 VAL 70 3HG2 VAL 70 3.772 9.280 4.230 559 H HIS 71 H HIS 71 5.469 10.416 7.523 560 HA HIS 71 HA HIS 71 7.385 12.558 6.871 561 1HB HIS 71 2HB HIS 71 7.527 10.380 8.974 562 2HB HIS 71 1HB HIS 71 8.883 11.420 8.548 563 HD1 HIS 71 1HD HIS 71 5.958 11.233 10.726 564 HD2 HIS 71 2HD HIS 71 8.418 14.207 9.177 565 HE1 HIS 71 1HE HIS 71 5.506 13.279 12.116 566 HE2 HIS 71 2HE HIS 71 7.118 15.016 11.266 567 H LYS 72 H LYS 72 9.576 11.708 6.152 568 HA LYS 72 HA LYS 72 9.045 10.063 3.899 569 1HB LYS 72 2HB LYS 72 11.274 10.440 3.207 570 2HB LYS 72 1HB LYS 72 10.718 11.928 3.947 571 1HG LYS 72 2HG LYS 72 12.000 11.469 5.938 572 2HG LYS 72 1HG LYS 72 12.472 9.889 5.304 573 1HD LYS 72 2HD LYS 72 13.528 11.080 3.365 574 2HD LYS 72 1HD LYS 72 13.206 12.598 4.200 575 1HE LYS 72 2HE LYS 72 14.860 10.341 5.319 576 2HE LYS 72 1HE LYS 72 15.520 11.758 4.505 577 1HZ LYS 72 1HZ LYS 72 14.013 11.693 7.061 578 2HZ LYS 72 2HZ LYS 72 14.411 13.123 6.240 579 3HZ LYS 72 3HZ LYS 72 15.640 12.116 6.830 580 H GLU 73 H GLU 73 10.405 9.421 7.043 581 HA GLU 73 HA GLU 73 11.523 6.891 6.497 582 1HB GLU 73 2HB GLU 73 11.957 8.142 8.570 583 2HB GLU 73 1HB GLU 73 10.282 7.917 9.057 584 1HG GLU 73 2HG GLU 73 10.623 5.504 9.142 585 2HG GLU 73 1HG GLU 73 12.299 5.720 8.639 586 H GLN 74 H GLN 74 8.274 7.929 7.337 587 HA GLN 74 HA GLN 74 7.121 5.402 7.750 588 1HB GLN 74 2HB GLN 74 5.941 8.031 6.846 589 2HB GLN 74 1HB GLN 74 4.966 6.621 7.205 590 1HG GLN 74 2HG GLN 74 6.814 7.956 9.166 591 2HG GLN 74 1HG GLN 74 5.085 8.275 9.045 592 1HE2 GLN 74 1HE2 GLN 74 4.630 7.567 11.108 593 2HE2 GLN 74 2HE2 GLN 74 4.714 5.905 11.572 594 H ILE 75 H ILE 75 7.468 7.402 4.864 595 HA ILE 75 HA ILE 75 5.963 5.811 3.106 596 HB ILE 75 HB ILE 75 8.321 7.580 2.440 597 1HG1 ILE 75 2HG1 ILE 75 5.367 8.221 2.520 598 2HG1 ILE 75 1HG1 ILE 75 6.544 8.730 3.720 599 1HG2 ILE 75 1HG2 ILE 75 7.755 6.096 0.599 600 2HG2 ILE 75 2HG2 ILE 75 7.281 7.752 0.216 601 3HG2 ILE 75 3HG2 ILE 75 6.060 6.576 0.705 602 1HD1 ILE 75 1HD1 ILE 75 7.703 10.053 2.046 603 2HD1 ILE 75 2HD1 ILE 75 6.007 10.524 2.172 604 3HD1 ILE 75 3HD1 ILE 75 6.548 9.527 0.821 605 H GLU 76 H GLU 76 9.391 5.749 3.982 606 HA GLU 76 HA GLU 76 10.122 3.770 2.083 607 1HB GLU 76 2HB GLU 76 11.436 4.832 4.571 608 2HB GLU 76 1HB GLU 76 12.145 3.515 3.646 609 1HG GLU 76 2HG GLU 76 11.421 6.159 2.420 610 2HG GLU 76 1HG GLU 76 13.001 5.831 3.130 611 H ALA 77 H ALA 77 9.047 3.647 5.434 612 HA ALA 77 HA ALA 77 9.479 0.867 5.799 613 1HB ALA 77 1HB ALA 77 9.181 2.434 7.662 614 2HB ALA 77 2HB ALA 77 8.048 1.085 7.748 615 3HB ALA 77 3HB ALA 77 7.499 2.665 7.186 616 H VAL 78 H VAL 78 6.645 2.770 4.825 617 HA VAL 78 HA VAL 78 4.842 0.626 4.617 618 HB VAL 78 HB VAL 78 4.879 3.296 3.207 619 1HG1 VAL 78 1HG1 VAL 78 2.500 2.894 2.701 620 2HG1 VAL 78 2HG1 VAL 78 2.672 1.240 3.290 621 3HG1 VAL 78 3HG1 VAL 78 3.567 1.766 1.863 622 1HG2 VAL 78 1HG2 VAL 78 3.326 2.264 5.578 623 2HG2 VAL 78 2HG2 VAL 78 3.126 3.853 4.841 624 3HG2 VAL 78 3HG2 VAL 78 4.651 3.427 5.618 625 H LYS 79 H LYS 79 7.181 1.934 2.323 626 HA LYS 79 HA LYS 79 6.375 0.711 -0.017 627 1HB LYS 79 2HB LYS 79 8.197 2.254 -0.058 628 2HB LYS 79 1HB LYS 79 9.142 1.264 1.043 629 1HG LYS 79 2HG LYS 79 9.299 -0.476 -0.686 630 2HG LYS 79 1HG LYS 79 8.401 0.564 -1.792 631 1HD LYS 79 2HD LYS 79 10.146 2.167 -1.840 632 2HD LYS 79 1HD LYS 79 10.969 1.406 -0.475 633 1HE LYS 79 2HE LYS 79 11.445 -0.553 -1.827 634 2HE LYS 79 1HE LYS 79 10.560 0.146 -3.182 635 1HZ LYS 79 1HZ LYS 79 12.894 1.506 -1.973 636 2HZ LYS 79 2HZ LYS 79 12.183 1.780 -3.490 637 3HZ LYS 79 3HZ LYS 79 13.068 0.360 -3.210 638 H ASP 80 H ASP 80 8.582 -0.628 2.436 639 HA ASP 80 HA ASP 80 8.784 -3.139 1.067 640 1HB ASP 80 2HB ASP 80 10.587 -2.154 2.527 641 2HB ASP 80 1HB ASP 80 9.588 -2.553 3.923 642 H ASN 81 H ASN 81 6.968 -1.903 3.809 643 HA ASN 81 HA ASN 81 5.912 -4.364 4.692 644 1HB ASN 81 2HB ASN 81 4.967 -1.521 5.013 645 2HB ASN 81 1HB ASN 81 4.053 -2.877 5.661 646 1HD2 ASN 81 1HD2 ASN 81 5.363 -0.679 7.057 647 2HD2 ASN 81 2HD2 ASN 81 6.470 -1.417 8.156 648 H PHE 82 H PHE 82 4.937 -2.153 2.158 649 HA PHE 82 HA PHE 82 2.349 -3.193 1.725 650 1HB PHE 82 2HB PHE 82 3.132 -1.030 0.801 651 2HB PHE 82 1HB PHE 82 4.210 -1.900 -0.286 652 HD1 PHE 82 1HD PHE 82 3.454 -2.620 -2.371 653 HD2 PHE 82 2HD PHE 82 0.632 -1.470 0.601 654 HE1 PHE 82 1HE PHE 82 1.648 -2.771 -4.033 655 HE2 PHE 82 2HE PHE 82 -1.181 -1.618 -1.059 656 HZ PHE 82 HZ PHE 82 -0.669 -2.271 -3.382 657 H LEU 83 H LEU 83 5.408 -3.835 -0.018 658 HA LEU 83 HA LEU 83 4.475 -5.935 -1.597 659 1HB LEU 83 2HB LEU 83 7.163 -5.151 -0.548 660 2HB LEU 83 1HB LEU 83 6.980 -6.676 -1.391 661 HG LEU 83 HG LEU 83 7.775 -4.957 -2.893 662 1HD1 LEU 83 1HD1 LEU 83 4.925 -5.746 -3.453 663 2HD1 LEU 83 2HD1 LEU 83 6.365 -6.698 -3.817 664 3HD1 LEU 83 3HD1 LEU 83 6.082 -5.171 -4.653 665 1HD2 LEU 83 1HD2 LEU 83 6.399 -3.035 -3.499 666 2HD2 LEU 83 2HD2 LEU 83 6.855 -2.994 -1.794 667 3HD2 LEU 83 3HD2 LEU 83 5.227 -3.486 -2.262 668 H GLU 84 H GLU 84 5.899 -5.946 1.633 669 HA GLU 84 HA GLU 84 5.961 -8.687 2.099 670 1HB GLU 84 2HB GLU 84 6.874 -6.811 3.552 671 2HB GLU 84 1HB GLU 84 5.238 -6.599 4.159 672 1HG GLU 84 2HG GLU 84 6.443 -7.922 5.723 673 2HG GLU 84 1HG GLU 84 5.280 -8.969 4.912 674 H LEU 85 H LEU 85 3.375 -6.356 2.817 675 HA LEU 85 HA LEU 85 1.497 -8.120 3.878 676 1HB LEU 85 2HB LEU 85 1.485 -5.578 3.840 677 2HB LEU 85 1HB LEU 85 0.862 -5.688 2.209 678 HG LEU 85 HG LEU 85 -0.580 -6.992 4.506 679 1HD1 LEU 85 1HD1 LEU 85 -0.874 -4.145 3.555 680 2HD1 LEU 85 2HD1 LEU 85 -0.252 -4.659 5.123 681 3HD1 LEU 85 3HD1 LEU 85 -1.937 -4.965 4.699 682 1HD2 LEU 85 1HD2 LEU 85 -1.271 -7.614 2.245 683 2HD2 LEU 85 2HD2 LEU 85 -1.503 -5.914 1.840 684 3HD2 LEU 85 3HD2 LEU 85 -2.526 -6.679 3.058 685 H VAL 86 H VAL 86 1.921 -7.016 0.529 686 HA VAL 86 HA VAL 86 -0.207 -8.408 -0.626 687 HB VAL 86 HB VAL 86 2.449 -7.630 -1.843 688 1HG1 VAL 86 1HG1 VAL 86 1.390 -7.905 -4.018 689 2HG1 VAL 86 2HG1 VAL 86 -0.087 -8.478 -3.242 690 3HG1 VAL 86 3HG1 VAL 86 1.395 -9.430 -3.133 691 1HG2 VAL 86 1HG2 VAL 86 -0.259 -6.307 -1.900 692 2HG2 VAL 86 2HG2 VAL 86 1.155 -5.767 -2.804 693 3HG2 VAL 86 3HG2 VAL 86 1.171 -5.737 -1.040 694 H LEU 87 H LEU 87 3.163 -9.418 -0.140 695 HA LEU 87 HA LEU 87 2.875 -11.914 -1.465 696 1HB LEU 87 2HB LEU 87 5.039 -10.796 -1.125 697 2HB LEU 87 1HB LEU 87 4.896 -11.047 0.603 698 HG LEU 87 HG LEU 87 4.927 -13.509 0.197 699 1HD1 LEU 87 1HD1 LEU 87 4.139 -13.489 -2.117 700 2HD1 LEU 87 2HD1 LEU 87 5.678 -14.338 -1.965 701 3HD1 LEU 87 3HD1 LEU 87 5.636 -12.701 -2.620 702 1HD2 LEU 87 1HD2 LEU 87 7.298 -11.954 -0.823 703 2HD2 LEU 87 2HD2 LEU 87 7.329 -13.625 -0.259 704 3HD2 LEU 87 3HD2 LEU 87 6.939 -12.322 0.864 705 H GLN 88 H GLN 88 2.700 -10.956 1.953 706 HA GLN 88 HA GLN 88 2.462 -13.718 2.771 707 1HB GLN 88 2HB GLN 88 2.505 -12.917 5.020 708 2HB GLN 88 1HB GLN 88 3.733 -12.062 4.104 709 1HG GLN 88 2HG GLN 88 2.063 -10.178 3.872 710 2HG GLN 88 1HG GLN 88 1.086 -11.028 5.070 711 1HE2 GLN 88 1HE2 GLN 88 2.348 -8.426 5.269 712 2HE2 GLN 88 2HE2 GLN 88 3.417 -8.508 6.622 713 H SER 89 H SER 89 0.285 -11.699 1.434 714 HA SER 89 HA SER 89 -1.991 -12.108 3.080 715 1HB SER 89 2HB SER 89 -3.298 -11.433 1.131 716 2HB SER 89 1HB SER 89 -1.884 -10.389 1.279 717 HG SER 89 HG SER 89 -1.044 -11.230 -0.498 718 H TYR 90 H TYR 90 -0.309 -14.017 0.728 719 HA TYR 90 HA TYR 90 -2.421 -16.005 0.555 720 1HB TYR 90 2HB TYR 90 0.335 -15.894 -0.685 721 2HB TYR 90 1HB TYR 90 -0.825 -17.187 -0.958 722 HD1 TYR 90 1HD TYR 90 -3.019 -16.626 -2.092 723 HD2 TYR 90 2HD TYR 90 0.252 -13.901 -1.944 724 HE1 TYR 90 1HE TYR 90 -3.978 -15.379 -3.983 725 HE2 TYR 90 2HE TYR 90 -0.701 -12.647 -3.834 726 HH TYR 90 HH TYR 90 -3.871 -13.108 -4.956 727 H VAL 91 H VAL 91 0.886 -15.741 1.832 728 HA VAL 91 HA VAL 91 0.797 -18.522 2.675 729 HB VAL 91 HB VAL 91 3.178 -18.209 3.298 730 1HG1 VAL 91 1HG1 VAL 91 2.441 -17.373 0.499 731 2HG1 VAL 91 2HG1 VAL 91 2.568 -19.027 1.092 732 3HG1 VAL 91 3HG1 VAL 91 4.006 -18.008 1.000 733 1HG2 VAL 91 1HG2 VAL 91 4.343 -16.175 2.572 734 2HG2 VAL 91 2HG2 VAL 91 3.152 -15.833 3.829 735 3HG2 VAL 91 3HG2 VAL 91 2.794 -15.448 2.146 736 H HIS 92 H HIS 92 0.784 -15.334 4.141 737 HA HIS 92 HA HIS 92 0.564 -14.591 6.281 738 1HB HIS 92 2HB HIS 92 -0.492 -17.333 6.986 739 2HB HIS 92 1HB HIS 92 -0.840 -15.806 7.785 740 HD1 HIS 92 1HD HIS 92 -2.718 -18.040 6.142 741 HD2 HIS 92 2HD HIS 92 -1.871 -14.067 5.229 742 HE1 HIS 92 1HE HIS 92 -4.574 -17.276 4.623 743 HE2 HIS 92 2HE HIS 92 -3.900 -14.959 3.900 744 H HIS 93 H HIS 93 2.808 -14.392 6.720 745 HA HIS 93 HA HIS 93 3.933 -16.659 8.230 746 1HB HIS 93 2HB HIS 93 6.144 -16.036 7.563 747 2HB HIS 93 1HB HIS 93 5.151 -16.086 6.116 748 HD1 HIS 93 1HD HIS 93 6.794 -13.590 8.457 749 HD2 HIS 93 2HD HIS 93 5.117 -13.774 4.651 750 HE1 HIS 93 1HE HIS 93 7.349 -11.395 7.362 751 HE2 HIS 93 2HE HIS 93 6.483 -11.596 5.001 752 H ILE 94 H ILE 94 2.408 -13.980 8.888 753 HA ILE 94 HA ILE 94 4.206 -13.227 11.091 754 HB ILE 94 HB ILE 94 2.758 -11.082 11.129 755 1HG1 ILE 94 2HG1 ILE 94 2.054 -10.383 8.815 756 2HG1 ILE 94 1HG1 ILE 94 2.279 -12.049 8.302 757 1HG2 ILE 94 1HG2 ILE 94 5.125 -11.110 10.623 758 2HG2 ILE 94 2HG2 ILE 94 4.285 -9.981 9.561 759 3HG2 ILE 94 3HG2 ILE 94 4.786 -11.557 8.948 760 1HD1 ILE 94 1HD1 ILE 94 0.331 -11.119 10.401 761 2HD1 ILE 94 2HD1 ILE 94 0.531 -12.770 9.812 762 3HD1 ILE 94 3HD1 ILE 94 -0.061 -11.515 8.726 763 H HIS 95 H HIS 95 2.715 -12.021 12.843 764 HA HIS 95 HA HIS 95 0.633 -13.968 13.529 765 1HB HIS 95 2HB HIS 95 1.990 -11.873 15.249 766 2HB HIS 95 1HB HIS 95 0.774 -13.017 15.810 767 HD1 HIS 95 1HD HIS 95 1.502 -15.610 15.671 768 HD2 HIS 95 2HD HIS 95 4.559 -12.811 15.303 769 HE1 HIS 95 1HE HIS 95 3.634 -16.880 16.070 770 HE2 HIS 95 2HE HIS 95 5.478 -15.201 15.717 771 H LYS 96 H LYS 96 -1.457 -13.320 14.103 772 HA LYS 96 HA LYS 96 -2.577 -11.496 12.342 773 1HB LYS 96 2HB LYS 96 -4.670 -11.780 13.606 774 2HB LYS 96 1HB LYS 96 -3.859 -13.310 13.303 775 1HG LYS 96 2HG LYS 96 -2.997 -13.303 15.593 776 2HG LYS 96 1HG LYS 96 -3.831 -11.778 15.896 777 1HD LYS 96 2HD LYS 96 -5.158 -14.376 15.118 778 2HD LYS 96 1HD LYS 96 -5.085 -13.716 16.753 779 1HE LYS 96 2HE LYS 96 -6.297 -11.712 15.948 780 2HE LYS 96 1HE LYS 96 -6.441 -12.470 14.364 781 1HZ LYS 96 1HZ LYS 96 -8.439 -12.750 15.747 782 2HZ LYS 96 2HZ LYS 96 -7.520 -13.608 16.887 783 3HZ LYS 96 3HZ LYS 96 -7.737 -14.237 15.328 784 H LYS 97 H LYS 97 -1.489 -10.947 15.627 785 HA LYS 97 HA LYS 97 -2.808 -8.471 16.004 786 1HB LYS 97 2HB LYS 97 -0.464 -9.793 17.344 787 2HB LYS 97 1HB LYS 97 -0.964 -8.165 17.780 788 1HG LYS 97 2HG LYS 97 -2.723 -10.606 17.898 789 2HG LYS 97 1HG LYS 97 -1.899 -9.868 19.277 790 1HD LYS 97 2HD LYS 97 -3.133 -7.794 18.917 791 2HD LYS 97 1HD LYS 97 -3.935 -8.504 17.515 792 1HE LYS 97 2HE LYS 97 -4.967 -10.181 18.953 793 2HE LYS 97 1HE LYS 97 -4.146 -9.495 20.354 794 1HZ LYS 97 1HZ LYS 97 -5.361 -7.451 20.055 795 2HZ LYS 97 2HZ LYS 97 -6.455 -8.745 20.150 796 3HZ LYS 97 3HZ LYS 97 -6.099 -8.046 18.647 797 H ARG 98 H ARG 98 0.296 -9.360 14.618 798 HA ARG 98 HA ARG 98 1.263 -6.644 14.594 799 1HB ARG 98 2HB ARG 98 2.628 -8.878 14.703 800 2HB ARG 98 1HB ARG 98 2.466 -8.851 12.953 801 1HG ARG 98 2HG ARG 98 4.510 -7.823 13.328 802 2HG ARG 98 1HG ARG 98 3.403 -6.465 13.108 803 1HD ARG 98 2HD ARG 98 4.390 -7.571 15.742 804 2HD ARG 98 1HD ARG 98 4.886 -6.054 14.997 805 HE ARG 98 HE ARG 98 2.416 -5.445 15.257 806 1HH1 ARG 98 1HH1 ARG 98 4.142 -7.553 17.464 807 2HH1 ARG 98 2HH1 ARG 98 3.144 -7.145 18.825 808 1HH2 ARG 98 1HH2 ARG 98 1.089 -4.924 17.048 809 2HH2 ARG 98 2HH2 ARG 98 1.423 -5.669 18.592 810 H PHE 99 H PHE 99 -0.337 -8.828 12.366 811 HA PHE 99 HA PHE 99 0.140 -7.403 9.989 812 1HB PHE 99 2HB PHE 99 -0.846 -9.733 10.209 813 2HB PHE 99 1HB PHE 99 -2.377 -8.958 10.595 814 HD1 PHE 99 1HD PHE 99 0.101 -9.585 7.978 815 HD2 PHE 99 2HD PHE 99 -3.662 -7.827 8.894 816 HE1 PHE 99 1HE PHE 99 -0.384 -9.388 5.575 817 HE2 PHE 99 2HE PHE 99 -4.156 -7.629 6.490 818 HZ PHE 99 HZ PHE 99 -2.513 -8.414 4.827 819 H LYS 100 H LYS 100 -2.227 -7.031 12.533 820 HA LYS 100 HA LYS 100 -3.921 -5.139 11.341 821 1HB LYS 100 2HB LYS 100 -3.912 -6.419 13.713 822 2HB LYS 100 1HB LYS 100 -3.273 -4.871 14.238 823 1HG LYS 100 2HG LYS 100 -5.923 -5.385 12.904 824 2HG LYS 100 1HG LYS 100 -5.644 -4.902 14.576 825 1HD LYS 100 2HD LYS 100 -4.572 -2.805 13.645 826 2HD LYS 100 1HD LYS 100 -5.221 -3.282 12.077 827 1HE LYS 100 2HE LYS 100 -6.774 -2.674 14.586 828 2HE LYS 100 1HE LYS 100 -6.729 -1.719 13.107 829 1HZ LYS 100 1HZ LYS 100 -8.734 -2.944 13.102 830 2HZ LYS 100 2HZ LYS 100 -7.956 -4.391 13.504 831 3HZ LYS 100 3HZ LYS 100 -7.728 -3.706 11.970 832 H ASP 101 H ASP 101 -1.054 -4.712 13.400 833 HA ASP 101 HA ASP 101 -0.908 -1.928 13.333 834 1HB ASP 101 2HB ASP 101 1.116 -4.119 13.752 835 2HB ASP 101 1HB ASP 101 1.583 -2.437 13.782 836 H ILE 102 H ILE 102 0.545 -4.378 11.210 837 HA ILE 102 HA ILE 102 2.041 -2.679 9.572 838 HB ILE 102 HB ILE 102 0.620 -5.242 8.814 839 1HG1 ILE 102 2HG1 ILE 102 3.493 -4.727 9.609 840 2HG1 ILE 102 1HG1 ILE 102 2.270 -5.462 10.642 841 1HG2 ILE 102 1HG2 ILE 102 1.153 -3.920 6.831 842 2HG2 ILE 102 2HG2 ILE 102 2.178 -5.352 6.928 843 3HG2 ILE 102 3HG2 ILE 102 2.827 -3.773 7.370 844 1HD1 ILE 102 1HD1 ILE 102 3.277 -6.604 8.045 845 2HD1 ILE 102 2HD1 ILE 102 2.107 -7.350 9.135 846 3HD1 ILE 102 3HD1 ILE 102 3.774 -7.113 9.659 847 H THR 103 H THR 103 -1.284 -3.865 9.136 848 HA THR 103 HA THR 103 -1.898 -2.449 6.810 849 HB THR 103 HB THR 103 -3.825 -3.148 9.039 850 HG1 THR 103 1HG THR 103 -2.742 -5.018 8.420 851 1HG2 THR 103 1HG2 THR 103 -4.693 -1.626 7.278 852 2HG2 THR 103 2HG2 THR 103 -5.506 -3.188 7.301 853 3HG2 THR 103 3HG2 THR 103 -4.292 -2.844 6.068 854 H GLU 104 H GLU 104 -2.391 -1.568 10.210 855 HA GLU 104 HA GLU 104 -3.640 0.900 9.799 856 1HB GLU 104 2HB GLU 104 -2.058 -0.292 12.052 857 2HB GLU 104 1HB GLU 104 -2.610 1.371 12.149 858 1HG GLU 104 2HG GLU 104 -4.340 -1.065 11.788 859 2HG GLU 104 1HG GLU 104 -4.151 -0.123 13.266 860 H SER 105 H SER 105 -0.200 0.103 10.081 861 HA SER 105 HA SER 105 0.702 2.789 10.057 862 1HB SER 105 2HB SER 105 2.193 0.289 9.234 863 2HB SER 105 1HB SER 105 2.918 1.839 9.655 864 HG SER 105 HG SER 105 1.478 0.069 11.350 865 H VAL 106 H VAL 106 0.224 0.374 7.506 866 HA VAL 106 HA VAL 106 1.236 1.968 5.390 867 HB VAL 106 HB VAL 106 -0.768 -0.301 5.310 868 1HG1 VAL 106 1HG1 VAL 106 0.767 0.989 3.057 869 2HG1 VAL 106 2HG1 VAL 106 -0.978 1.056 3.311 870 3HG1 VAL 106 3HG1 VAL 106 -0.200 -0.480 2.926 871 1HG2 VAL 106 1HG2 VAL 106 2.206 -0.267 4.784 872 2HG2 VAL 106 2HG2 VAL 106 1.143 -1.661 4.594 873 3HG2 VAL 106 3HG2 VAL 106 1.409 -0.964 6.193 874 H LEU 107 H LEU 107 -2.077 1.354 6.536 875 HA LEU 107 HA LEU 107 -3.403 2.998 4.708 876 1HB LEU 107 2HB LEU 107 -4.112 2.115 7.486 877 2HB LEU 107 1HB LEU 107 -5.181 3.127 6.543 878 HG LEU 107 HG LEU 107 -4.258 0.358 5.763 879 1HD1 LEU 107 1HD1 LEU 107 -6.600 -0.265 6.176 880 2HD1 LEU 107 2HD1 LEU 107 -6.908 1.357 6.797 881 3HD1 LEU 107 3HD1 LEU 107 -5.784 0.289 7.637 882 1HD2 LEU 107 1HD2 LEU 107 -4.644 1.768 3.822 883 2HD2 LEU 107 2HD2 LEU 107 -6.226 2.230 4.452 884 3HD2 LEU 107 3HD2 LEU 107 -5.918 0.559 3.975 885 H TYR 108 H TYR 108 -2.132 3.752 7.932 886 HA TYR 108 HA TYR 108 -3.099 6.356 8.174 887 1HB TYR 108 2HB TYR 108 -1.750 4.821 9.828 888 2HB TYR 108 1HB TYR 108 -0.354 5.654 9.153 889 HD1 TYR 108 1HD TYR 108 0.212 7.838 9.867 890 HD2 TYR 108 2HD TYR 108 -3.543 6.163 10.955 891 HE1 TYR 108 1HE TYR 108 -0.147 9.688 11.449 892 HE2 TYR 108 2HE TYR 108 -3.919 8.006 12.537 893 HH TYR 108 HH TYR 108 -1.987 10.825 12.573 894 H THR 109 H THR 109 -0.151 5.160 6.642 895 HA THR 109 HA THR 109 0.866 7.709 5.916 896 HB THR 109 HB THR 109 1.450 4.977 4.754 897 HG1 THR 109 1HG THR 109 2.149 4.886 6.810 898 1HG2 THR 109 1HG2 THR 109 2.142 6.756 3.231 899 2HG2 THR 109 2HG2 THR 109 3.546 5.976 3.961 900 3HG2 THR 109 3HG2 THR 109 3.012 7.553 4.541 901 H LEU 110 H LEU 110 -0.980 5.223 4.155 902 HA LEU 110 HA LEU 110 -1.027 6.495 1.659 903 1HB LEU 110 2HB LEU 110 -3.027 4.619 2.916 904 2HB LEU 110 1HB LEU 110 -3.053 5.097 1.229 905 HG LEU 110 HG LEU 110 -0.822 3.569 2.576 906 1HD1 LEU 110 1HD1 LEU 110 -2.957 2.655 0.650 907 2HD1 LEU 110 2HD1 LEU 110 -2.856 2.244 2.361 908 3HD1 LEU 110 3HD1 LEU 110 -1.613 1.679 1.246 909 1HD2 LEU 110 1HD2 LEU 110 -0.014 4.964 0.750 910 2HD2 LEU 110 2HD2 LEU 110 -1.253 4.304 -0.320 911 3HD2 LEU 110 3HD2 LEU 110 0.028 3.260 0.299 912 H HIS 111 H HIS 111 -3.228 6.734 4.417 913 HA HIS 111 HA HIS 111 -5.183 8.348 3.163 914 1HB HIS 111 2HB HIS 111 -4.431 8.186 6.093 915 2HB HIS 111 1HB HIS 111 -5.879 8.962 5.466 916 HD1 HIS 111 1HD HIS 111 -6.158 6.732 7.497 917 HD2 HIS 111 2HD HIS 111 -6.153 6.065 3.385 918 HE1 HIS 111 1HE HIS 111 -7.361 4.548 7.155 919 HE2 HIS 111 2HE HIS 111 -7.483 4.238 4.659 920 H ALA 112 H ALA 112 -2.189 9.065 4.829 921 HA ALA 112 HA ALA 112 -2.558 11.862 5.067 922 1HB ALA 112 1HB ALA 112 -0.938 10.629 6.418 923 2HB ALA 112 2HB ALA 112 -0.163 11.941 5.528 924 3HB ALA 112 3HB ALA 112 0.007 10.277 4.970 925 H VAL 113 H VAL 113 -0.816 9.884 2.672 926 HA VAL 113 HA VAL 113 0.095 12.031 1.086 927 HB VAL 113 HB VAL 113 -0.504 9.186 0.244 928 1HG1 VAL 113 1HG1 VAL 113 -0.344 10.685 -1.673 929 2HG1 VAL 113 2HG1 VAL 113 1.048 9.603 -1.602 930 3HG1 VAL 113 3HG1 VAL 113 1.208 11.284 -1.087 931 1HG2 VAL 113 1HG2 VAL 113 2.074 10.453 1.164 932 2HG2 VAL 113 2HG2 VAL 113 1.884 8.795 0.595 933 3HG2 VAL 113 3HG2 VAL 113 1.095 9.312 2.084 934 H LYS 114 H LYS 114 -2.779 9.981 0.889 935 HA LYS 114 HA LYS 114 -4.011 11.018 -1.366 936 1HB LYS 114 2HB LYS 114 -4.816 9.049 -0.149 937 2HB LYS 114 1HB LYS 114 -5.244 10.047 1.225 938 1HG LYS 114 2HG LYS 114 -6.514 10.483 -1.458 939 2HG LYS 114 1HG LYS 114 -7.108 9.246 -0.353 940 1HD LYS 114 2HD LYS 114 -6.906 12.206 0.217 941 2HD LYS 114 1HD LYS 114 -8.387 11.309 -0.114 942 1HE LYS 114 2HE LYS 114 -8.092 10.015 1.915 943 2HE LYS 114 1HE LYS 114 -6.547 10.804 2.224 944 1HZ LYS 114 1HZ LYS 114 -7.712 12.910 2.465 945 2HZ LYS 114 2HZ LYS 114 -8.313 11.773 3.561 946 3HZ LYS 114 3HZ LYS 114 -9.198 12.152 2.165 947 H ASP 115 H ASP 115 -4.040 12.184 1.964 948 HA ASP 115 HA ASP 115 -6.092 14.094 1.544 949 1HB ASP 115 2HB ASP 115 -5.184 12.999 3.758 950 2HB ASP 115 1HB ASP 115 -4.125 14.409 3.769 951 H GLU 116 H GLU 116 -2.548 14.352 1.657 952 HA GLU 116 HA GLU 116 -2.380 17.135 1.422 953 1HB GLU 116 2HB GLU 116 -0.501 15.694 2.058 954 2HB GLU 116 1HB GLU 116 -0.470 15.008 0.442 955 1HG GLU 116 2HG GLU 116 1.285 16.632 0.741 956 2HG GLU 116 1HG GLU 116 0.141 17.167 -0.484 957 H ILE 117 H ILE 117 -2.554 14.593 -1.050 958 HA ILE 117 HA ILE 117 -2.228 16.259 -3.290 959 HB ILE 117 HB ILE 117 -3.785 13.673 -3.066 960 1HG1 ILE 117 2HG1 ILE 117 -0.955 14.204 -4.006 961 2HG1 ILE 117 1HG1 ILE 117 -1.394 13.492 -2.457 962 1HG2 ILE 117 1HG2 ILE 117 -2.785 15.118 -5.516 963 2HG2 ILE 117 2HG2 ILE 117 -4.470 14.911 -5.039 964 3HG2 ILE 117 3HG2 ILE 117 -3.505 13.509 -5.501 965 1HD1 ILE 117 1HD1 ILE 117 -2.370 11.577 -3.602 966 2HD1 ILE 117 2HD1 ILE 117 -0.677 11.800 -4.047 967 3HD1 ILE 117 3HD1 ILE 117 -1.952 12.294 -5.159 968 H ALA 118 H ALA 118 -5.150 15.199 -1.576 969 HA ALA 118 HA ALA 118 -6.958 16.666 -3.233 970 1HB ALA 118 1HB ALA 118 -7.692 14.705 -1.997 971 2HB ALA 118 2HB ALA 118 -8.625 16.122 -1.515 972 3HB ALA 118 3HB ALA 118 -7.342 15.515 -0.469 973 H ARG 119 H ARG 119 -4.942 17.448 -0.584 974 HA ARG 119 HA ARG 119 -6.348 19.807 0.257 975 1HB ARG 119 2HB ARG 119 -4.864 18.477 1.748 976 2HB ARG 119 1HB ARG 119 -3.482 18.971 0.783 977 1HG ARG 119 2HG ARG 119 -3.635 20.273 2.820 978 2HG ARG 119 1HG ARG 119 -3.888 21.302 1.411 979 1HD ARG 119 2HD ARG 119 -6.136 21.584 1.854 980 2HD ARG 119 1HD ARG 119 -6.245 20.089 2.786 981 HE ARG 119 HE ARG 119 -4.854 21.326 4.495 982 1HH1 ARG 119 1HH1 ARG 119 -7.033 23.003 2.311 983 2HH1 ARG 119 2HH1 ARG 119 -7.323 24.316 3.415 984 1HH2 ARG 119 1HH2 ARG 119 -5.229 23.050 5.933 985 2HH2 ARG 119 2HH2 ARG 119 -6.289 24.347 5.464 986 H GLU 120 H GLU 120 -3.891 19.007 -2.075 987 HA GLU 120 HA GLU 120 -3.319 21.768 -2.697 988 1HB GLU 120 2HB GLU 120 -1.626 19.996 -3.007 989 2HB GLU 120 1HB GLU 120 -2.645 19.277 -4.242 990 1HG GLU 120 2HG GLU 120 -2.497 21.519 -5.438 991 2HG GLU 120 1HG GLU 120 -1.179 21.884 -4.324 992 H ASP 121 H ASP 121 -5.046 19.072 -4.221 993 HA ASP 121 HA ASP 121 -6.791 18.982 -5.672 994 1HB ASP 121 2HB ASP 121 -7.828 20.514 -3.983 995 2HB ASP 121 1HB ASP 121 -7.259 21.885 -4.928 996 H SER 122 H SER 122 -4.132 19.781 -6.600 997 HA SER 122 HA SER 122 -4.944 21.248 -9.014 998 1HB SER 122 2HB SER 122 -2.251 21.478 -7.666 999 2HB SER 122 1HB SER 122 -2.829 22.407 -9.049 1000 HG SER 122 HG SER 122 -4.337 22.456 -6.690 1001 H ARG 123 H ARG 123 -1.873 19.708 -8.077 1002 HA ARG 123 HA ARG 123 -0.460 18.400 -9.280 1003 1HB ARG 123 2HB ARG 123 -3.082 17.010 -9.816 1004 2HB ARG 123 1HB ARG 123 -1.524 16.342 -10.283 1005 1HG ARG 123 2HG ARG 123 -2.353 17.013 -7.468 1006 2HG ARG 123 1HG ARG 123 -2.371 15.402 -8.185 1007 1HD ARG 123 2HD ARG 123 -0.364 15.461 -6.987 1008 2HD ARG 123 1HD ARG 123 0.123 15.783 -8.651 1009 HE ARG 123 HE ARG 123 -0.365 18.108 -6.945 1010 1HH1 ARG 123 1HH1 ARG 123 1.956 15.970 -8.462 1011 2HH1 ARG 123 2HH1 ARG 123 3.314 17.018 -8.195 1012 1HH2 ARG 123 1HH2 ARG 123 1.397 19.485 -6.528 1013 2HH2 ARG 123 2HH2 ARG 123 3.000 19.033 -7.062 Start of MODEL 19 1 1H MET 1 1HT MET 1 -15.303 12.386 -6.996 2 2H MET 1 2HT MET 1 -14.858 13.883 -6.340 3 3H MET 1 3HT MET 1 -14.952 12.518 -5.340 4 HA MET 1 HA MET 1 -12.671 13.026 -5.797 5 1HB MET 1 2HB MET 1 -11.958 10.863 -6.625 6 2HB MET 1 1HB MET 1 -13.364 10.650 -5.593 7 1HG MET 1 2HG MET 1 -14.781 10.467 -7.584 8 2HG MET 1 1HG MET 1 -13.356 10.645 -8.604 9 1HE MET 1 1HE MET 1 -13.717 8.652 -5.213 10 2HE MET 1 2HE MET 1 -14.137 7.048 -5.815 11 3HE MET 1 3HE MET 1 -15.256 8.393 -6.031 12 H LEU 2 H LEU 2 -11.048 13.597 -7.217 13 HA LEU 2 HA LEU 2 -11.959 14.346 -9.904 14 1HB LEU 2 2HB LEU 2 -9.511 15.224 -8.370 15 2HB LEU 2 1HB LEU 2 -9.965 15.796 -9.963 16 HG LEU 2 HG LEU 2 -11.520 16.250 -7.413 17 1HD1 LEU 2 1HD1 LEU 2 -9.473 17.557 -7.518 18 2HD1 LEU 2 2HD1 LEU 2 -10.886 18.591 -7.728 19 3HD1 LEU 2 3HD1 LEU 2 -9.909 18.137 -9.125 20 1HD2 LEU 2 1HD2 LEU 2 -12.929 17.714 -8.782 21 2HD2 LEU 2 2HD2 LEU 2 -13.007 16.040 -9.329 22 3HD2 LEU 2 3HD2 LEU 2 -12.043 17.215 -10.223 23 H SER 3 H SER 3 -9.289 12.767 -8.227 24 HA SER 3 HA SER 3 -7.653 11.367 -8.871 25 1HB SER 3 2HB SER 3 -8.375 9.476 -10.369 26 2HB SER 3 1HB SER 3 -9.404 9.748 -8.966 27 HG SER 3 HG SER 3 -10.279 11.211 -11.052 28 H GLN 4 H GLN 4 -6.515 13.214 -9.779 29 HA GLN 4 HA GLN 4 -6.534 13.693 -12.584 30 1HB GLN 4 2HB GLN 4 -5.783 15.319 -10.806 31 2HB GLN 4 1HB GLN 4 -4.319 14.360 -10.639 32 1HG GLN 4 2HG GLN 4 -3.786 16.186 -12.036 33 2HG GLN 4 1HG GLN 4 -3.891 14.767 -13.076 34 1HE2 GLN 4 1HE2 GLN 4 -4.164 17.626 -13.702 35 2HE2 GLN 4 2HE2 GLN 4 -5.711 17.793 -14.462 36 H THR 5 H THR 5 -3.985 12.247 -10.519 37 HA THR 5 HA THR 5 -3.574 10.121 -12.426 38 HB THR 5 HB THR 5 -1.207 11.913 -11.855 39 HG1 THR 5 1HG THR 5 -3.204 12.118 -13.778 40 1HG2 THR 5 1HG2 THR 5 -0.684 9.593 -12.398 41 2HG2 THR 5 2HG2 THR 5 -0.206 10.662 -13.718 42 3HG2 THR 5 3HG2 THR 5 -1.676 9.699 -13.854 43 H LEU 6 H LEU 6 -1.528 11.690 -9.951 44 HA LEU 6 HA LEU 6 -0.552 9.258 -8.914 45 1HB LEU 6 2HB LEU 6 0.599 11.454 -8.770 46 2HB LEU 6 1HB LEU 6 -0.588 11.974 -7.591 47 HG LEU 6 HG LEU 6 0.184 10.199 -6.053 48 1HD1 LEU 6 1HD1 LEU 6 2.280 9.715 -8.165 49 2HD1 LEU 6 2HD1 LEU 6 0.991 8.604 -7.703 50 3HD1 LEU 6 3HD1 LEU 6 2.262 9.008 -6.549 51 1HD2 LEU 6 1HD2 LEU 6 2.349 12.031 -7.078 52 2HD2 LEU 6 2HD2 LEU 6 2.339 11.227 -5.507 53 3HD2 LEU 6 3HD2 LEU 6 1.114 12.438 -5.886 54 H LEU 7 H LEU 7 -3.446 10.998 -8.261 55 HA LEU 7 HA LEU 7 -3.889 10.120 -5.605 56 1HB LEU 7 2HB LEU 7 -5.040 12.000 -7.041 57 2HB LEU 7 1HB LEU 7 -6.130 10.709 -7.500 58 HG LEU 7 HG LEU 7 -6.949 12.145 -5.635 59 1HD1 LEU 7 1HD1 LEU 7 -7.846 9.914 -5.920 60 2HD1 LEU 7 2HD1 LEU 7 -7.722 10.328 -4.210 61 3HD1 LEU 7 3HD1 LEU 7 -6.535 9.250 -4.942 62 1HD2 LEU 7 1HD2 LEU 7 -4.721 10.840 -4.092 63 2HD2 LEU 7 2HD2 LEU 7 -5.990 11.864 -3.418 64 3HD2 LEU 7 3HD2 LEU 7 -4.814 12.544 -4.540 65 H GLU 8 H GLU 8 -4.850 8.873 -8.782 66 HA GLU 8 HA GLU 8 -6.449 6.735 -7.932 67 1HB GLU 8 2HB GLU 8 -6.309 7.589 -10.257 68 2HB GLU 8 1HB GLU 8 -4.682 6.941 -10.383 69 1HG GLU 8 2HG GLU 8 -5.640 4.681 -9.964 70 2HG GLU 8 1HG GLU 8 -7.242 5.404 -10.086 71 H MET 9 H MET 9 -2.985 6.957 -8.595 72 HA MET 9 HA MET 9 -2.254 4.302 -8.203 73 1HB MET 9 2HB MET 9 -0.750 6.866 -7.663 74 2HB MET 9 1HB MET 9 -0.015 5.277 -7.505 75 1HG MET 9 2HG MET 9 -0.354 4.825 -9.832 76 2HG MET 9 1HG MET 9 -1.266 6.320 -10.029 77 1HE MET 9 1HE MET 9 3.185 6.400 -8.828 78 2HE MET 9 2HE MET 9 2.254 4.901 -8.913 79 3HE MET 9 3HE MET 9 1.848 6.125 -7.712 80 H THR 10 H THR 10 -2.609 6.921 -5.857 81 HA THR 10 HA THR 10 -1.766 5.377 -3.626 82 HB THR 10 HB THR 10 -3.482 7.866 -3.585 83 HG1 THR 10 1HG THR 10 -1.651 8.427 -4.695 84 1HG2 THR 10 1HG2 THR 10 -2.444 8.211 -1.380 85 2HG2 THR 10 2HG2 THR 10 -1.593 6.674 -1.543 86 3HG2 THR 10 3HG2 THR 10 -3.353 6.701 -1.440 87 H GLU 11 H GLU 11 -4.986 6.455 -4.751 88 HA GLU 11 HA GLU 11 -6.534 5.189 -2.836 89 1HB GLU 11 2HB GLU 11 -6.980 6.070 -5.644 90 2HB GLU 11 1HB GLU 11 -8.221 5.101 -4.868 91 1HG GLU 11 2HG GLU 11 -7.096 7.669 -3.784 92 2HG GLU 11 1HG GLU 11 -8.616 7.513 -4.659 93 H GLN 12 H GLN 12 -5.181 3.843 -5.815 94 HA GLN 12 HA GLN 12 -6.462 1.348 -5.713 95 1HB GLN 12 2HB GLN 12 -5.211 2.051 -7.682 96 2HB GLN 12 1HB GLN 12 -3.714 2.062 -6.759 97 1HG GLN 12 2HG GLN 12 -3.916 -0.362 -6.426 98 2HG GLN 12 1HG GLN 12 -5.390 -0.362 -7.392 99 1HE2 GLN 12 1HE2 GLN 12 -2.819 -1.731 -7.798 100 2HE2 GLN 12 2HE2 GLN 12 -2.256 -1.247 -9.360 101 H MET 13 H MET 13 -3.318 2.366 -4.418 102 HA MET 13 HA MET 13 -2.636 -0.080 -3.223 103 1HB MET 13 2HB MET 13 -1.011 1.716 -3.605 104 2HB MET 13 1HB MET 13 -1.831 2.726 -2.421 105 1HG MET 13 2HG MET 13 -1.233 1.205 -0.649 106 2HG MET 13 1HG MET 13 -0.524 0.083 -1.810 107 1HE MET 13 1HE MET 13 2.565 2.127 -3.107 108 2HE MET 13 2HE MET 13 0.947 2.079 -3.810 109 3HE MET 13 3HE MET 13 1.688 0.600 -3.203 110 H ILE 14 H ILE 14 -4.469 2.684 -2.008 111 HA ILE 14 HA ILE 14 -4.690 1.844 0.674 112 HB ILE 14 HB ILE 14 -6.618 3.525 -0.949 113 1HG1 ILE 14 2HG1 ILE 14 -4.388 4.317 0.943 114 2HG1 ILE 14 1HG1 ILE 14 -4.354 4.471 -0.811 115 1HG2 ILE 14 1HG2 ILE 14 -7.437 4.342 1.223 116 2HG2 ILE 14 2HG2 ILE 14 -6.405 3.167 2.038 117 3HG2 ILE 14 3HG2 ILE 14 -7.723 2.614 1.009 118 1HD1 ILE 14 1HD1 ILE 14 -6.241 5.910 1.041 119 2HD1 ILE 14 2HD1 ILE 14 -6.172 6.083 -0.712 120 3HD1 ILE 14 3HD1 ILE 14 -4.808 6.601 0.279 121 H GLU 15 H GLU 15 -6.862 1.349 -2.116 122 HA GLU 15 HA GLU 15 -8.820 -0.052 -0.643 123 1HB GLU 15 2HB GLU 15 -9.193 1.025 -2.872 124 2HB GLU 15 1HB GLU 15 -8.284 -0.292 -3.604 125 1HG GLU 15 2HG GLU 15 -9.921 -1.885 -2.674 126 2HG GLU 15 1HG GLU 15 -10.854 -0.525 -2.059 127 H VAL 16 H VAL 16 -5.997 -1.135 -2.498 128 HA VAL 16 HA VAL 16 -6.534 -3.897 -2.364 129 HB VAL 16 HB VAL 16 -3.874 -2.464 -2.555 130 1HG1 VAL 16 1HG1 VAL 16 -2.950 -4.588 -3.329 131 2HG1 VAL 16 2HG1 VAL 16 -4.499 -5.378 -3.034 132 3HG1 VAL 16 3HG1 VAL 16 -3.568 -4.731 -1.684 133 1HG2 VAL 16 1HG2 VAL 16 -5.385 -2.044 -4.427 134 2HG2 VAL 16 2HG2 VAL 16 -5.589 -3.781 -4.660 135 3HG2 VAL 16 3HG2 VAL 16 -4.013 -3.035 -4.925 136 H ALA 17 H ALA 17 -4.750 -1.748 -0.167 137 HA ALA 17 HA ALA 17 -3.921 -3.732 1.654 138 1HB ALA 17 1HB ALA 17 -2.979 -1.476 1.635 139 2HB ALA 17 2HB ALA 17 -3.597 -1.897 3.231 140 3HB ALA 17 3HB ALA 17 -4.524 -0.823 2.184 141 H GLU 18 H GLU 18 -6.801 -1.657 1.608 142 HA GLU 18 HA GLU 18 -8.001 -2.620 3.943 143 1HB GLU 18 2HB GLU 18 -8.854 -1.115 1.550 144 2HB GLU 18 1HB GLU 18 -10.134 -1.950 2.412 145 1HG GLU 18 2HG GLU 18 -8.190 -0.122 3.789 146 2HG GLU 18 1HG GLU 18 -9.697 0.449 3.071 147 H LYS 19 H LYS 19 -8.365 -3.682 0.569 148 HA LYS 19 HA LYS 19 -10.240 -5.733 1.147 149 1HB LYS 19 2HB LYS 19 -8.415 -5.276 -1.214 150 2HB LYS 19 1HB LYS 19 -9.586 -6.585 -1.146 151 1HG LYS 19 2HG LYS 19 -11.385 -4.921 -0.867 152 2HG LYS 19 1HG LYS 19 -10.188 -3.638 -1.035 153 1HD LYS 19 2HD LYS 19 -10.840 -5.723 -3.117 154 2HD LYS 19 1HD LYS 19 -11.383 -4.045 -3.135 155 1HE LYS 19 2HE LYS 19 -8.922 -3.407 -3.094 156 2HE LYS 19 1HE LYS 19 -8.582 -5.103 -3.440 157 1HZ LYS 19 1HZ LYS 19 -10.031 -4.871 -5.431 158 2HZ LYS 19 2HZ LYS 19 -8.631 -3.917 -5.491 159 3HZ LYS 19 3HZ LYS 19 -10.124 -3.201 -5.123 160 H GLY 20 H GLY 20 -6.744 -5.604 1.110 161 1HA GLY 20 2HA GLY 20 -6.283 -8.406 1.236 162 2HA GLY 20 1HA GLY 20 -5.157 -7.146 1.720 163 H ALA 21 H ALA 21 -6.512 -5.899 3.733 164 HA ALA 21 HA ALA 21 -6.204 -7.673 5.926 165 1HB ALA 21 1HB ALA 21 -5.851 -5.246 6.082 166 2HB ALA 21 2HB ALA 21 -6.991 -5.833 7.291 167 3HB ALA 21 3HB ALA 21 -7.580 -4.990 5.857 168 H ASP 22 H ASP 22 -8.993 -6.403 4.182 169 HA ASP 22 HA ASP 22 -11.046 -7.508 5.729 170 1HB ASP 22 2HB ASP 22 -11.519 -5.900 3.983 171 2HB ASP 22 1HB ASP 22 -10.896 -6.992 2.751 172 H ARG 23 H ARG 23 -9.176 -8.864 3.073 173 HA ARG 23 HA ARG 23 -10.429 -11.349 2.844 174 1HB ARG 23 2HB ARG 23 -8.839 -10.591 1.203 175 2HB ARG 23 1HB ARG 23 -7.558 -10.523 2.397 176 1HG ARG 23 2HG ARG 23 -7.627 -12.954 2.619 177 2HG ARG 23 1HG ARG 23 -8.920 -13.024 1.419 178 1HD ARG 23 2HD ARG 23 -6.676 -13.527 0.489 179 2HD ARG 23 1HD ARG 23 -7.466 -12.150 -0.279 180 HE ARG 23 HE ARG 23 -5.731 -11.389 1.878 181 1HH1 ARG 23 1HH1 ARG 23 -5.843 -12.235 -1.518 182 2HH1 ARG 23 2HH1 ARG 23 -4.407 -11.338 -1.922 183 1HH2 ARG 23 1HH2 ARG 23 -3.829 -10.206 1.359 184 2HH2 ARG 23 2HH2 ARG 23 -3.264 -10.178 -0.281 185 H TYR 24 H TYR 24 -7.681 -10.348 4.857 186 HA TYR 24 HA TYR 24 -7.289 -12.847 6.111 187 1HB TYR 24 2HB TYR 24 -5.513 -11.267 6.240 188 2HB TYR 24 1HB TYR 24 -6.570 -10.025 6.903 189 HD1 TYR 24 1HD TYR 24 -6.821 -9.777 9.222 190 HD2 TYR 24 2HD TYR 24 -4.995 -13.299 7.686 191 HE1 TYR 24 1HE TYR 24 -6.209 -10.446 11.504 192 HE2 TYR 24 2HE TYR 24 -4.380 -13.979 9.968 193 HH TYR 24 HH TYR 24 -5.685 -12.478 12.731 194 H GLN 25 H GLN 25 -9.339 -10.094 6.827 195 HA GLN 25 HA GLN 25 -10.151 -10.867 9.422 196 1HB GLN 25 2HB GLN 25 -10.446 -8.612 8.161 197 2HB GLN 25 1HB GLN 25 -11.895 -9.345 7.499 198 1HG GLN 25 2HG GLN 25 -11.395 -9.070 10.450 199 2HG GLN 25 1HG GLN 25 -12.212 -7.843 9.488 200 1HE2 GLN 25 1HE2 GLN 25 -12.468 -10.916 11.016 201 2HE2 GLN 25 2HE2 GLN 25 -14.155 -11.161 10.724 202 H GLU 26 H GLU 26 -11.740 -11.229 6.262 203 HA GLU 26 HA GLU 26 -13.879 -12.817 7.140 204 1HB GLU 26 2HB GLU 26 -13.715 -11.588 4.965 205 2HB GLU 26 1HB GLU 26 -12.578 -12.805 4.410 206 1HG GLU 26 2HG GLU 26 -15.300 -13.603 5.346 207 2HG GLU 26 1HG GLU 26 -15.064 -12.954 3.724 208 H GLY 27 H GLY 27 -10.754 -13.735 5.698 209 1HA GLY 27 2HA GLY 27 -9.447 -15.494 6.635 210 2HA GLY 27 1HA GLY 27 -10.925 -16.244 7.218 211 H LYS 28 H LYS 28 -12.503 -16.524 5.142 212 HA LYS 28 HA LYS 28 -12.989 -17.980 3.488 213 1HB LYS 28 2HB LYS 28 -11.892 -16.321 2.083 214 2HB LYS 28 1HB LYS 28 -10.322 -17.037 2.414 215 1HG LYS 28 2HG LYS 28 -11.107 -17.659 0.213 216 2HG LYS 28 1HG LYS 28 -11.000 -19.074 1.257 217 1HD LYS 28 2HD LYS 28 -13.027 -19.284 0.046 218 2HD LYS 28 1HD LYS 28 -13.473 -18.800 1.681 219 1HE LYS 28 2HE LYS 28 -13.074 -16.701 -0.398 220 2HE LYS 28 1HE LYS 28 -14.556 -17.653 -0.420 221 1HZ LYS 28 1HZ LYS 28 -14.918 -15.671 0.832 222 2HZ LYS 28 2HZ LYS 28 -13.565 -15.955 1.817 223 3HZ LYS 28 3HZ LYS 28 -14.917 -16.975 1.913 224 H ASN 29 H ASN 29 -12.916 -19.731 4.927 225 HA ASN 29 HA ASN 29 -10.506 -21.298 5.141 226 1HB ASN 29 2HB ASN 29 -11.885 -22.850 6.480 227 2HB ASN 29 1HB ASN 29 -11.996 -21.197 7.068 228 1HD2 ASN 29 1HD2 ASN 29 -13.788 -23.468 7.425 229 2HD2 ASN 29 2HD2 ASN 29 -15.330 -22.956 6.833 230 H SER 30 H SER 30 -9.914 -22.919 3.873 231 HA SER 30 HA SER 30 -11.658 -24.492 2.277 232 1HB SER 30 2HB SER 30 -11.867 -22.266 1.121 233 2HB SER 30 1HB SER 30 -10.136 -22.321 0.796 234 HG SER 30 HG SER 30 -12.181 -23.516 -0.523 235 H ASN 31 H ASN 31 -9.650 -24.570 0.061 236 HA ASN 31 HA ASN 31 -7.904 -26.543 0.971 237 1HB ASN 31 2HB ASN 31 -7.656 -24.675 -1.396 238 2HB ASN 31 1HB ASN 31 -6.574 -26.031 -1.113 239 1HD2 ASN 31 1HD2 ASN 31 -7.156 -27.053 -2.999 240 2HD2 ASN 31 2HD2 ASN 31 -8.695 -27.816 -3.221 241 H HIS 32 H HIS 32 -7.581 -23.065 0.871 242 HA HIS 32 HA HIS 32 -6.263 -21.632 2.041 243 1HB HIS 32 2HB HIS 32 -6.733 -23.518 3.802 244 2HB HIS 32 1HB HIS 32 -5.040 -23.917 3.549 245 HD1 HIS 32 1HD HIS 32 -3.828 -23.054 5.517 246 HD2 HIS 32 2HD HIS 32 -6.709 -20.368 4.188 247 HE1 HIS 32 1HE HIS 32 -3.611 -21.042 7.004 248 HE2 HIS 32 2HE HIS 32 -5.540 -19.559 6.355 249 H SER 33 H SER 33 -5.296 -23.274 -0.337 250 HA SER 33 HA SER 33 -2.398 -23.083 0.084 251 1HB SER 33 2HB SER 33 -2.373 -24.557 -2.033 252 2HB SER 33 1HB SER 33 -2.925 -25.297 -0.529 253 HG SER 33 HG SER 33 -4.336 -24.665 -2.831 254 H TYR 34 H TYR 34 -1.085 -22.254 -1.588 255 HA TYR 34 HA TYR 34 -2.350 -20.716 -3.718 256 1HB TYR 34 2HB TYR 34 -0.487 -19.487 -1.670 257 2HB TYR 34 1HB TYR 34 -0.942 -18.714 -3.182 258 HD1 TYR 34 1HD TYR 34 -1.948 -19.463 0.222 259 HD2 TYR 34 2HD TYR 34 -3.302 -17.995 -3.540 260 HE1 TYR 34 1HE TYR 34 -3.926 -18.495 1.317 261 HE2 TYR 34 2HE TYR 34 -5.280 -17.018 -2.451 262 HH TYR 34 HH TYR 34 -6.593 -17.258 -0.465 263 H ASP 35 H ASP 35 0.710 -21.426 -2.099 264 HA ASP 35 HA ASP 35 2.576 -22.483 -2.758 265 1HB ASP 35 2HB ASP 35 0.564 -23.648 -4.649 266 2HB ASP 35 1HB ASP 35 2.245 -24.181 -4.645 267 H PHE 36 H PHE 36 1.980 -19.854 -4.001 268 HA PHE 36 HA PHE 36 3.418 -18.408 -4.974 269 1HB PHE 36 2HB PHE 36 5.125 -20.864 -5.342 270 2HB PHE 36 1HB PHE 36 5.656 -19.233 -5.727 271 HD1 PHE 36 1HD PHE 36 5.001 -21.641 -3.095 272 HD2 PHE 36 2HD PHE 36 6.019 -17.595 -3.938 273 HE1 PHE 36 1HE PHE 36 5.761 -21.353 -0.773 274 HE2 PHE 36 2HE PHE 36 6.777 -17.298 -1.618 275 HZ PHE 36 HZ PHE 36 6.649 -19.183 -0.033 276 H PHE 37 H PHE 37 1.552 -20.378 -6.730 277 HA PHE 37 HA PHE 37 2.287 -18.914 -9.120 278 1HB PHE 37 2HB PHE 37 3.638 -21.066 -9.129 279 2HB PHE 37 1HB PHE 37 2.111 -21.915 -9.356 280 HD1 PHE 37 1HD PHE 37 1.320 -22.273 -11.504 281 HD2 PHE 37 2HD PHE 37 4.153 -19.169 -10.821 282 HE1 PHE 37 1HE PHE 37 1.466 -21.874 -13.929 283 HE2 PHE 37 2HE PHE 37 4.304 -18.765 -13.243 284 HZ PHE 37 HZ PHE 37 2.957 -20.120 -14.800 285 H GLU 38 H GLU 38 0.307 -17.950 -8.760 286 HA GLU 38 HA GLU 38 -1.650 -18.817 -10.507 287 1HB GLU 38 2HB GLU 38 -2.185 -20.338 -8.587 288 2HB GLU 38 1HB GLU 38 -2.559 -18.906 -7.649 289 1HG GLU 38 2HG GLU 38 -4.325 -18.303 -9.152 290 2HG GLU 38 1HG GLU 38 -3.902 -19.634 -10.223 291 H THR 39 H THR 39 -2.162 -17.197 -7.412 292 HA THR 39 HA THR 39 -2.679 -14.688 -8.790 293 HB THR 39 HB THR 39 -3.121 -13.955 -6.322 294 HG1 THR 39 1HG THR 39 -3.846 -16.521 -5.699 295 1HG2 THR 39 1HG2 THR 39 -4.898 -15.978 -7.697 296 2HG2 THR 39 2HG2 THR 39 -4.880 -14.239 -7.996 297 3HG2 THR 39 3HG2 THR 39 -5.402 -14.858 -6.430 298 H ILE 40 H ILE 40 -0.189 -16.293 -7.106 299 HA ILE 40 HA ILE 40 1.202 -13.906 -6.257 300 HB ILE 40 HB ILE 40 2.276 -16.730 -6.231 301 1HG1 ILE 40 2HG1 ILE 40 0.618 -15.309 -4.130 302 2HG1 ILE 40 1HG1 ILE 40 0.090 -16.679 -5.103 303 1HG2 ILE 40 1HG2 ILE 40 3.619 -15.889 -4.345 304 2HG2 ILE 40 2HG2 ILE 40 2.910 -14.290 -4.566 305 3HG2 ILE 40 3HG2 ILE 40 3.932 -14.984 -5.826 306 1HD1 ILE 40 1HD1 ILE 40 1.796 -18.075 -4.049 307 2HD1 ILE 40 2HD1 ILE 40 0.700 -17.368 -2.861 308 3HD1 ILE 40 3HD1 ILE 40 2.316 -16.696 -3.079 309 H LYS 41 H LYS 41 0.804 -13.711 -8.914 310 HA LYS 41 HA LYS 41 3.565 -13.587 -9.801 311 1HB LYS 41 2HB LYS 41 2.881 -15.616 -10.880 312 2HB LYS 41 1HB LYS 41 1.389 -14.895 -11.442 313 1HG LYS 41 2HG LYS 41 2.914 -15.092 -13.284 314 2HG LYS 41 1HG LYS 41 2.709 -13.383 -12.894 315 1HD LYS 41 2HD LYS 41 4.831 -13.314 -11.784 316 2HD LYS 41 1HD LYS 41 5.006 -15.066 -11.898 317 1HE LYS 41 2HE LYS 41 6.388 -14.062 -13.578 318 2HE LYS 41 1HE LYS 41 5.027 -14.847 -14.376 319 1HZ LYS 41 1HZ LYS 41 3.957 -12.564 -14.363 320 2HZ LYS 41 2HZ LYS 41 5.263 -12.780 -15.416 321 3HZ LYS 41 3HZ LYS 41 5.483 -11.945 -13.957 322 HA PRO 42 HA PRO 42 1.062 -10.384 -12.342 323 1HB PRO 42 2HB PRO 42 -1.699 -10.400 -11.397 324 2HB PRO 42 1HB PRO 42 -1.089 -10.573 -13.043 325 1HG PRO 42 2HG PRO 42 -2.250 -12.610 -11.690 326 2HG PRO 42 1HG PRO 42 -0.983 -12.861 -12.905 327 1HD PRO 42 2HD PRO 42 -0.768 -12.842 -9.916 328 2HD PRO 42 1HD PRO 42 -0.007 -13.927 -11.092 329 H ALA 43 H ALA 43 -0.201 -10.933 -9.086 330 HA ALA 43 HA ALA 43 -0.623 -8.182 -8.493 331 1HB ALA 43 1HB ALA 43 -1.055 -8.929 -6.222 332 2HB ALA 43 2HB ALA 43 -0.377 -10.512 -6.598 333 3HB ALA 43 3HB ALA 43 -1.866 -9.985 -7.380 334 H VAL 44 H VAL 44 1.964 -10.484 -7.766 335 HA VAL 44 HA VAL 44 3.403 -8.933 -5.949 336 HB VAL 44 HB VAL 44 4.531 -10.929 -7.925 337 1HG1 VAL 44 1HG1 VAL 44 6.250 -9.523 -6.888 338 2HG1 VAL 44 2HG1 VAL 44 6.346 -11.186 -6.308 339 3HG1 VAL 44 3HG1 VAL 44 5.624 -9.937 -5.292 340 1HG2 VAL 44 1HG2 VAL 44 3.500 -11.318 -5.115 341 2HG2 VAL 44 2HG2 VAL 44 4.312 -12.547 -6.083 342 3HG2 VAL 44 3HG2 VAL 44 2.746 -11.916 -6.594 343 H GLU 45 H GLU 45 3.833 -9.234 -9.466 344 HA GLU 45 HA GLU 45 5.938 -7.384 -9.683 345 1HB GLU 45 2HB GLU 45 3.863 -8.206 -11.716 346 2HB GLU 45 1HB GLU 45 5.376 -7.394 -12.074 347 1HG GLU 45 2HG GLU 45 6.634 -9.303 -11.322 348 2HG GLU 45 1HG GLU 45 5.154 -10.106 -10.796 349 H GLU 46 H GLU 46 2.452 -7.070 -10.105 350 HA GLU 46 HA GLU 46 2.260 -4.438 -10.942 351 1HB GLU 46 2HB GLU 46 0.483 -6.366 -10.424 352 2HB GLU 46 1HB GLU 46 0.280 -5.424 -8.969 353 1HG GLU 46 2HG GLU 46 0.140 -4.106 -11.637 354 2HG GLU 46 1HG GLU 46 -1.245 -4.986 -11.000 355 H ASN 47 H ASN 47 1.955 -5.660 -7.632 356 HA ASN 47 HA ASN 47 1.774 -3.117 -6.444 357 1HB ASN 47 2HB ASN 47 2.616 -5.729 -5.180 358 2HB ASN 47 1HB ASN 47 2.142 -4.280 -4.304 359 1HD2 ASN 47 1HD2 ASN 47 0.052 -3.781 -6.468 360 2HD2 ASN 47 2HD2 ASN 47 -1.234 -4.851 -6.041 361 H ASP 48 H ASP 48 4.563 -5.188 -7.086 362 HA ASP 48 HA ASP 48 6.417 -3.723 -5.526 363 1HB ASP 48 2HB ASP 48 6.828 -6.024 -6.388 364 2HB ASP 48 1HB ASP 48 6.985 -5.356 -8.010 365 H GLU 49 H GLU 49 5.699 -3.635 -9.019 366 HA GLU 49 HA GLU 49 7.359 -1.457 -9.657 367 1HB GLU 49 2HB GLU 49 4.786 -2.374 -10.931 368 2HB GLU 49 1HB GLU 49 5.885 -1.194 -11.634 369 1HG GLU 49 2HG GLU 49 6.679 -4.000 -10.929 370 2HG GLU 49 1HG GLU 49 6.095 -3.512 -12.509 371 H LEU 50 H LEU 50 4.017 -1.668 -8.605 372 HA LEU 50 HA LEU 50 3.232 0.995 -8.909 373 1HB LEU 50 2HB LEU 50 1.936 -1.196 -8.242 374 2HB LEU 50 1HB LEU 50 2.271 -0.650 -6.609 375 HG LEU 50 HG LEU 50 1.183 1.576 -7.373 376 1HD1 LEU 50 1HD1 LEU 50 0.148 -0.343 -9.460 377 2HD1 LEU 50 2HD1 LEU 50 1.106 1.115 -9.741 378 3HD1 LEU 50 3HD1 LEU 50 -0.537 1.248 -9.116 379 1HD2 LEU 50 1HD2 LEU 50 -1.019 0.734 -6.751 380 2HD2 LEU 50 2HD2 LEU 50 0.234 0.038 -5.722 381 3HD2 LEU 50 3HD2 LEU 50 -0.472 -0.921 -7.022 382 H ALA 51 H ALA 51 4.455 -0.677 -6.018 383 HA ALA 51 HA ALA 51 4.370 1.525 -4.291 384 1HB ALA 51 1HB ALA 51 4.538 -0.772 -3.510 385 2HB ALA 51 2HB ALA 51 5.840 0.215 -2.842 386 3HB ALA 51 3HB ALA 51 6.165 -0.891 -4.178 387 H ALA 52 H ALA 52 6.923 0.363 -6.437 388 HA ALA 52 HA ALA 52 8.983 2.041 -5.536 389 1HB ALA 52 1HB ALA 52 8.517 0.972 -8.319 390 2HB ALA 52 2HB ALA 52 9.367 0.134 -7.020 391 3HB ALA 52 3HB ALA 52 10.035 1.618 -7.699 392 H ARG 53 H ARG 53 6.713 2.491 -8.255 393 HA ARG 53 HA ARG 53 7.614 5.089 -8.897 394 1HB ARG 53 2HB ARG 53 5.754 3.210 -9.903 395 2HB ARG 53 1HB ARG 53 4.869 4.703 -9.635 396 1HG ARG 53 2HG ARG 53 7.435 4.536 -11.189 397 2HG ARG 53 1HG ARG 53 5.832 4.439 -11.911 398 1HD ARG 53 2HD ARG 53 6.840 6.758 -10.267 399 2HD ARG 53 1HD ARG 53 6.840 6.706 -12.029 400 HE ARG 53 HE ARG 53 4.274 6.282 -10.740 401 1HH1 ARG 53 1HH1 ARG 53 6.445 8.573 -12.249 402 2HH1 ARG 53 2HH1 ARG 53 5.193 9.716 -12.647 403 1HH2 ARG 53 1HH2 ARG 53 2.613 7.779 -11.245 404 2HH2 ARG 53 2HH2 ARG 53 3.007 9.248 -12.090 405 H TRP 54 H TRP 54 5.145 3.874 -6.713 406 HA TRP 54 HA TRP 54 3.892 6.361 -6.207 407 1HB TRP 54 2HB TRP 54 2.875 4.162 -5.638 408 2HB TRP 54 1HB TRP 54 4.069 3.971 -4.356 409 HD1 TRP 54 HD TRP 54 1.075 6.208 -5.311 410 HE1 TRP 54 1HE TRP 54 0.102 7.230 -3.157 411 HE3 TRP 54 3HE TRP 54 4.561 4.515 -1.981 412 HZ2 TRP 54 2HZ TRP 54 0.738 7.297 -0.401 413 HZ3 TRP 54 3HZ TRP 54 4.306 5.100 0.394 414 HH2 TRP 54 HH TRP 54 2.434 6.463 1.165 415 H ALA 55 H ALA 55 6.479 4.594 -4.539 416 HA ALA 55 HA ALA 55 6.923 6.449 -2.485 417 1HB ALA 55 1HB ALA 55 9.138 5.416 -2.268 418 2HB ALA 55 2HB ALA 55 8.896 4.588 -3.807 419 3HB ALA 55 3HB ALA 55 7.864 4.208 -2.429 420 H GLU 56 H GLU 56 8.438 6.139 -5.687 421 HA GLU 56 HA GLU 56 10.173 8.308 -5.510 422 1HB GLU 56 2HB GLU 56 8.801 6.943 -7.818 423 2HB GLU 56 1HB GLU 56 9.960 8.230 -8.041 424 1HG GLU 56 2HG GLU 56 11.684 6.934 -6.956 425 2HG GLU 56 1HG GLU 56 10.523 5.653 -6.615 426 H GLY 57 H GLY 57 6.773 8.117 -6.413 427 1HA GLY 57 2HA GLY 57 6.545 10.817 -7.303 428 2HA GLY 57 1HA GLY 57 5.216 9.746 -6.878 429 H ALA 58 H ALA 58 5.688 9.199 -4.255 430 HA ALA 58 HA ALA 58 4.670 11.480 -2.965 431 1HB ALA 58 1HB ALA 58 5.930 9.021 -1.757 432 2HB ALA 58 2HB ALA 58 4.223 9.236 -2.148 433 3HB ALA 58 3HB ALA 58 4.970 10.213 -0.883 434 H LEU 59 H LEU 59 7.919 10.023 -2.885 435 HA LEU 59 HA LEU 59 9.092 11.834 -1.110 436 1HB LEU 59 2HB LEU 59 10.165 10.059 -3.280 437 2HB LEU 59 1HB LEU 59 11.214 11.065 -2.321 438 HG LEU 59 HG LEU 59 9.411 8.903 -1.243 439 1HD1 LEU 59 1HD1 LEU 59 11.250 7.950 -2.471 440 2HD1 LEU 59 2HD1 LEU 59 11.534 7.742 -0.740 441 3HD1 LEU 59 3HD1 LEU 59 12.397 8.997 -1.631 442 1HD2 LEU 59 1HD2 LEU 59 9.693 10.701 0.364 443 2HD2 LEU 59 2HD2 LEU 59 11.443 10.647 0.148 444 3HD2 LEU 59 3HD2 LEU 59 10.601 9.278 0.874 445 H GLU 60 H GLU 60 8.670 11.916 -4.587 446 HA GLU 60 HA GLU 60 10.221 14.124 -5.258 447 1HB GLU 60 2HB GLU 60 9.102 12.619 -6.875 448 2HB GLU 60 1HB GLU 60 7.547 13.294 -6.413 449 1HG GLU 60 2HG GLU 60 8.254 14.246 -8.496 450 2HG GLU 60 1HG GLU 60 8.275 15.488 -7.247 451 H LEU 61 H LEU 61 6.800 14.028 -4.268 452 HA LEU 61 HA LEU 61 6.416 16.818 -4.525 453 1HB LEU 61 2HB LEU 61 4.868 14.571 -3.350 454 2HB LEU 61 1HB LEU 61 4.420 16.198 -2.885 455 HG LEU 61 HG LEU 61 3.037 15.422 -4.723 456 1HD1 LEU 61 1HD1 LEU 61 3.408 17.258 -6.295 457 2HD1 LEU 61 2HD1 LEU 61 4.997 17.539 -5.585 458 3HD1 LEU 61 3HD1 LEU 61 3.544 17.792 -4.619 459 1HD2 LEU 61 1HD2 LEU 61 3.987 14.954 -6.922 460 2HD2 LEU 61 2HD2 LEU 61 4.591 13.823 -5.712 461 3HD2 LEU 61 3HD2 LEU 61 5.612 15.150 -6.266 462 H ILE 62 H ILE 62 7.296 14.791 -1.752 463 HA ILE 62 HA ILE 62 6.879 16.888 0.141 464 HB ILE 62 HB ILE 62 7.891 15.453 1.801 465 1HG1 ILE 62 2HG1 ILE 62 8.574 13.548 -0.447 466 2HG1 ILE 62 1HG1 ILE 62 9.740 14.598 0.355 467 1HG2 ILE 62 1HG2 ILE 62 5.590 15.014 1.183 468 2HG2 ILE 62 2HG2 ILE 62 6.410 13.510 1.600 469 3HG2 ILE 62 3HG2 ILE 62 6.117 13.915 -0.092 470 1HD1 ILE 62 1HD1 ILE 62 9.295 13.463 2.469 471 2HD1 ILE 62 2HD1 ILE 62 9.846 12.341 1.227 472 3HD1 ILE 62 3HD1 ILE 62 8.137 12.408 1.658 473 H LYS 63 H LYS 63 9.595 15.983 -1.858 474 HA LYS 63 HA LYS 63 11.400 17.646 -0.329 475 1HB LYS 63 2HB LYS 63 13.088 17.128 -1.972 476 2HB LYS 63 1HB LYS 63 12.254 15.655 -1.515 477 1HG LYS 63 2HG LYS 63 12.311 15.324 -3.741 478 2HG LYS 63 1HG LYS 63 10.824 16.272 -3.669 479 1HD LYS 63 2HD LYS 63 12.126 18.309 -4.155 480 2HD LYS 63 1HD LYS 63 13.587 17.325 -4.282 481 1HE LYS 63 2HE LYS 63 11.128 17.020 -6.001 482 2HE LYS 63 1HE LYS 63 12.598 17.864 -6.478 483 1HZ LYS 63 1HZ LYS 63 12.335 15.482 -7.244 484 2HZ LYS 63 2HZ LYS 63 12.633 15.023 -5.640 485 3HZ LYS 63 3HZ LYS 63 13.812 15.880 -6.508 486 H VAL 64 H VAL 64 9.180 18.017 -2.948 487 HA VAL 64 HA VAL 64 10.230 20.559 -3.810 488 HB VAL 64 HB VAL 64 7.552 19.261 -4.341 489 1HG1 VAL 64 1HG1 VAL 64 8.765 21.736 -5.575 490 2HG1 VAL 64 2HG1 VAL 64 7.360 21.690 -4.511 491 3HG1 VAL 64 3HG1 VAL 64 7.280 20.948 -6.109 492 1HG2 VAL 64 1HG2 VAL 64 10.021 19.549 -6.049 493 2HG2 VAL 64 2HG2 VAL 64 8.478 18.891 -6.595 494 3HG2 VAL 64 3HG2 VAL 64 9.401 18.055 -5.346 495 H ARG 65 H ARG 65 7.205 19.632 -2.130 496 HA ARG 65 HA ARG 65 7.168 22.340 -0.950 497 1HB ARG 65 2HB ARG 65 4.876 20.408 -1.368 498 2HB ARG 65 1HB ARG 65 4.749 21.967 -0.570 499 1HG ARG 65 2HG ARG 65 5.508 23.022 -2.710 500 2HG ARG 65 1HG ARG 65 5.351 21.430 -3.461 501 1HD ARG 65 2HD ARG 65 2.997 21.352 -2.801 502 2HD ARG 65 1HD ARG 65 3.153 22.940 -2.054 503 HE ARG 65 HE ARG 65 3.255 22.366 -4.938 504 1HH1 ARG 65 1HH1 ARG 65 3.012 24.643 -2.294 505 2HH1 ARG 65 2HH1 ARG 65 2.466 25.958 -3.294 506 1HH2 ARG 65 1HH2 ARG 65 2.522 24.080 -6.269 507 2HH2 ARG 65 2HH2 ARG 65 2.207 25.639 -5.563 508 H ARG 66 H ARG 66 6.124 22.403 1.258 509 HA ARG 66 HA ARG 66 7.304 20.413 2.971 510 1HB ARG 66 2HB ARG 66 5.406 22.664 3.666 511 2HB ARG 66 1HB ARG 66 6.347 21.716 4.809 512 1HG ARG 66 2HG ARG 66 8.408 22.596 3.835 513 2HG ARG 66 1HG ARG 66 7.455 23.565 2.708 514 1HD ARG 66 2HD ARG 66 6.386 24.678 4.650 515 2HD ARG 66 1HD ARG 66 7.465 23.781 5.715 516 HE ARG 66 HE ARG 66 8.705 25.416 3.647 517 1HH1 ARG 66 1HH1 ARG 66 7.802 25.036 7.009 518 2HH1 ARG 66 2HH1 ARG 66 8.879 26.286 7.563 519 1HH2 ARG 66 1HH2 ARG 66 10.080 27.092 4.371 520 2HH2 ARG 66 2HH2 ARG 66 10.147 27.469 6.068 521 HA PRO 67 HA PRO 67 3.710 17.784 2.611 522 1HB PRO 67 2HB PRO 67 4.639 15.766 4.153 523 2HB PRO 67 1HB PRO 67 5.219 16.047 2.507 524 1HG PRO 67 2HG PRO 67 6.475 16.814 5.114 525 2HG PRO 67 1HG PRO 67 7.233 16.124 3.667 526 1HD PRO 67 2HD PRO 67 7.329 18.771 4.267 527 2HD PRO 67 1HD PRO 67 7.343 18.155 2.601 528 H LYS 68 H LYS 68 2.037 16.959 3.968 529 HA LYS 68 HA LYS 68 2.015 18.214 6.645 530 1HB LYS 68 2HB LYS 68 -0.362 17.450 4.931 531 2HB LYS 68 1HB LYS 68 -0.436 18.225 6.504 532 1HG LYS 68 2HG LYS 68 -0.771 19.992 5.058 533 2HG LYS 68 1HG LYS 68 0.965 20.096 5.371 534 1HD LYS 68 2HD LYS 68 1.257 18.663 3.288 535 2HD LYS 68 1HD LYS 68 -0.438 19.007 2.945 536 1HE LYS 68 2HE LYS 68 0.011 21.367 2.849 537 2HE LYS 68 1HE LYS 68 1.682 21.109 3.355 538 1HZ LYS 68 1HZ LYS 68 1.812 21.330 1.065 539 2HZ LYS 68 2HZ LYS 68 0.404 20.439 0.775 540 3HZ LYS 68 3HZ LYS 68 1.827 19.644 1.272 541 H TYR 69 H TYR 69 2.205 16.877 8.272 542 HA TYR 69 HA TYR 69 1.899 15.143 9.696 543 1HB TYR 69 2HB TYR 69 -0.032 13.994 7.668 544 2HB TYR 69 1HB TYR 69 0.127 13.512 9.352 545 HD1 TYR 69 1HD TYR 69 -0.260 15.454 11.097 546 HD2 TYR 69 2HD TYR 69 -1.671 15.510 7.088 547 HE1 TYR 69 1HE TYR 69 -1.961 17.112 11.724 548 HE2 TYR 69 2HE TYR 69 -3.374 17.172 7.702 549 HH TYR 69 HH TYR 69 -4.574 17.920 9.732 550 H VAL 70 H VAL 70 2.068 14.040 6.325 551 HA VAL 70 HA VAL 70 3.338 11.575 6.961 552 HB VAL 70 HB VAL 70 2.059 11.832 4.901 553 1HG1 VAL 70 1HG1 VAL 70 2.944 13.122 3.007 554 2HG1 VAL 70 2HG1 VAL 70 4.222 13.750 4.048 555 3HG1 VAL 70 3HG1 VAL 70 2.537 14.147 4.383 556 1HG2 VAL 70 1HG2 VAL 70 4.980 11.268 4.428 557 2HG2 VAL 70 2HG2 VAL 70 3.676 10.840 3.321 558 3HG2 VAL 70 3HG2 VAL 70 3.744 10.114 4.927 559 H HIS 71 H HIS 71 5.453 10.980 6.889 560 HA HIS 71 HA HIS 71 7.458 13.087 6.424 561 1HB HIS 71 2HB HIS 71 7.315 11.086 8.680 562 2HB HIS 71 1HB HIS 71 8.828 11.854 8.218 563 HD1 HIS 71 1HD HIS 71 5.324 12.959 9.279 564 HD2 HIS 71 2HD HIS 71 9.301 14.134 9.581 565 HE1 HIS 71 1HE HIS 71 5.323 14.977 10.768 566 HE2 HIS 71 2HE HIS 71 7.754 15.541 11.105 567 H LYS 72 H LYS 72 9.664 12.099 5.897 568 HA LYS 72 HA LYS 72 9.266 10.297 3.749 569 1HB LYS 72 2HB LYS 72 11.696 10.283 3.473 570 2HB LYS 72 1HB LYS 72 11.087 11.917 3.682 571 1HG LYS 72 2HG LYS 72 11.926 12.050 5.884 572 2HG LYS 72 1HG LYS 72 12.250 10.320 5.941 573 1HD LYS 72 2HD LYS 72 13.606 12.102 3.942 574 2HD LYS 72 1HD LYS 72 14.228 11.922 5.582 575 1HE LYS 72 2HE LYS 72 15.429 10.337 4.384 576 2HE LYS 72 1HE LYS 72 14.136 9.391 5.113 577 1HZ LYS 72 1HZ LYS 72 12.952 9.430 3.011 578 2HZ LYS 72 2HZ LYS 72 14.518 8.822 2.782 579 3HZ LYS 72 3HZ LYS 72 14.152 10.406 2.320 580 H GLU 73 H GLU 73 10.476 9.830 7.038 581 HA GLU 73 HA GLU 73 11.425 7.222 6.806 582 1HB GLU 73 2HB GLU 73 9.900 8.173 9.222 583 2HB GLU 73 1HB GLU 73 11.227 7.023 9.159 584 1HG GLU 73 2HG GLU 73 12.336 8.820 9.961 585 2HG GLU 73 1HG GLU 73 12.535 9.122 8.237 586 H GLN 74 H GLN 74 8.185 8.441 7.103 587 HA GLN 74 HA GLN 74 6.882 5.997 7.678 588 1HB GLN 74 2HB GLN 74 5.738 8.450 6.329 589 2HB GLN 74 1HB GLN 74 4.842 7.216 7.200 590 1HG GLN 74 2HG GLN 74 6.865 9.070 8.435 591 2HG GLN 74 1HG GLN 74 5.119 9.304 8.476 592 1HE2 GLN 74 1HE2 GLN 74 7.064 8.947 10.657 593 2HE2 GLN 74 2HE2 GLN 74 6.495 7.582 11.563 594 H ILE 75 H ILE 75 7.414 7.828 4.703 595 HA ILE 75 HA ILE 75 5.961 6.135 2.984 596 HB ILE 75 HB ILE 75 8.288 7.945 2.307 597 1HG1 ILE 75 2HG1 ILE 75 5.317 8.510 2.258 598 2HG1 ILE 75 1HG1 ILE 75 6.430 9.079 3.497 599 1HG2 ILE 75 1HG2 ILE 75 7.799 6.365 0.520 600 2HG2 ILE 75 2HG2 ILE 75 7.327 8.002 0.057 601 3HG2 ILE 75 3HG2 ILE 75 6.100 6.837 0.555 602 1HD1 ILE 75 1HD1 ILE 75 7.633 10.375 1.807 603 2HD1 ILE 75 2HD1 ILE 75 5.931 10.830 1.897 604 3HD1 ILE 75 3HD1 ILE 75 6.503 9.809 0.577 605 H GLU 76 H GLU 76 9.344 6.154 3.990 606 HA GLU 76 HA GLU 76 10.339 4.327 2.100 607 1HB GLU 76 2HB GLU 76 11.309 4.627 4.945 608 2HB GLU 76 1HB GLU 76 12.232 4.052 3.566 609 1HG GLU 76 2HG GLU 76 11.166 6.846 3.884 610 2HG GLU 76 1HG GLU 76 12.807 6.343 4.262 611 H ALA 77 H ALA 77 8.898 3.854 5.284 612 HA ALA 77 HA ALA 77 9.387 1.041 5.363 613 1HB ALA 77 1HB ALA 77 8.039 1.058 7.380 614 2HB ALA 77 2HB ALA 77 7.488 2.694 7.019 615 3HB ALA 77 3HB ALA 77 9.184 2.397 7.398 616 H VAL 78 H VAL 78 6.533 3.054 4.725 617 HA VAL 78 HA VAL 78 4.615 1.054 4.576 618 HB VAL 78 HB VAL 78 4.773 3.685 3.106 619 1HG1 VAL 78 1HG1 VAL 78 2.381 3.454 2.652 620 2HG1 VAL 78 2HG1 VAL 78 2.407 1.825 3.329 621 3HG1 VAL 78 3HG1 VAL 78 3.307 2.183 1.855 622 1HG2 VAL 78 1HG2 VAL 78 3.220 2.796 5.533 623 2HG2 VAL 78 2HG2 VAL 78 3.136 4.391 4.782 624 3HG2 VAL 78 3HG2 VAL 78 4.640 3.846 5.525 625 H LYS 79 H LYS 79 6.860 2.157 2.093 626 HA LYS 79 HA LYS 79 5.734 0.924 -0.131 627 1HB LYS 79 2HB LYS 79 7.539 2.509 -0.360 628 2HB LYS 79 1HB LYS 79 8.625 1.482 0.554 629 1HG LYS 79 2HG LYS 79 7.468 0.382 -1.949 630 2HG LYS 79 1HG LYS 79 8.716 1.621 -2.082 631 1HD LYS 79 2HD LYS 79 10.259 0.291 -0.817 632 2HD LYS 79 1HD LYS 79 9.006 -0.891 -0.436 633 1HE LYS 79 2HE LYS 79 8.839 -1.448 -2.827 634 2HE LYS 79 1HE LYS 79 10.128 -0.297 -3.174 635 1HZ LYS 79 1HZ LYS 79 10.432 -2.645 -1.371 636 2HZ LYS 79 2HZ LYS 79 11.657 -1.597 -1.898 637 3HZ LYS 79 3HZ LYS 79 10.893 -2.630 -3.007 638 H ASP 80 H ASP 80 8.252 -0.393 2.051 639 HA ASP 80 HA ASP 80 8.217 -2.911 0.696 640 1HB ASP 80 2HB ASP 80 9.779 -1.629 2.835 641 2HB ASP 80 1HB ASP 80 9.614 -3.367 2.968 642 H ASN 81 H ASN 81 6.902 -1.605 3.684 643 HA ASN 81 HA ASN 81 5.965 -3.944 4.863 644 1HB ASN 81 2HB ASN 81 4.942 -1.113 4.877 645 2HB ASN 81 1HB ASN 81 4.044 -2.388 5.690 646 1HD2 ASN 81 1HD2 ASN 81 4.366 -1.384 7.684 647 2HD2 ASN 81 2HD2 ASN 81 5.889 -1.455 8.496 648 H PHE 82 H PHE 82 4.492 -1.923 2.360 649 HA PHE 82 HA PHE 82 2.033 -3.237 2.159 650 1HB PHE 82 2HB PHE 82 2.586 -1.052 1.093 651 2HB PHE 82 1HB PHE 82 3.588 -1.910 -0.069 652 HD1 PHE 82 1HD PHE 82 2.678 -2.492 -2.092 653 HD2 PHE 82 2HD PHE 82 0.104 -1.933 1.250 654 HE1 PHE 82 1HE PHE 82 0.722 -2.844 -3.546 655 HE2 PHE 82 2HE PHE 82 -1.856 -2.283 -0.194 656 HZ PHE 82 HZ PHE 82 -1.548 -2.740 -2.597 657 H LEU 83 H LEU 83 5.092 -3.815 0.474 658 HA LEU 83 HA LEU 83 4.109 -5.821 -1.256 659 1HB LEU 83 2HB LEU 83 6.924 -5.312 -0.300 660 2HB LEU 83 1HB LEU 83 6.487 -6.367 -1.632 661 HG LEU 83 HG LEU 83 6.053 -3.381 -1.532 662 1HD1 LEU 83 1HD1 LEU 83 8.389 -3.982 -1.810 663 2HD1 LEU 83 2HD1 LEU 83 7.731 -3.322 -3.306 664 3HD1 LEU 83 3HD1 LEU 83 7.968 -5.062 -3.140 665 1HD2 LEU 83 1HD2 LEU 83 4.288 -4.508 -2.772 666 2HD2 LEU 83 2HD2 LEU 83 5.493 -5.371 -3.727 667 3HD2 LEU 83 3HD2 LEU 83 5.352 -3.618 -3.859 668 H GLU 84 H GLU 84 5.895 -6.013 1.817 669 HA GLU 84 HA GLU 84 5.964 -8.841 1.865 670 1HB GLU 84 2HB GLU 84 6.237 -6.830 4.102 671 2HB GLU 84 1HB GLU 84 6.536 -8.556 4.281 672 1HG GLU 84 2HG GLU 84 8.265 -8.364 2.490 673 2HG GLU 84 1HG GLU 84 8.038 -6.616 2.537 674 H LEU 85 H LEU 85 3.639 -6.476 2.995 675 HA LEU 85 HA LEU 85 2.007 -8.101 4.582 676 1HB LEU 85 2HB LEU 85 1.909 -5.568 4.159 677 2HB LEU 85 1HB LEU 85 0.989 -5.954 2.723 678 HG LEU 85 HG LEU 85 0.119 -6.767 5.496 679 1HD1 LEU 85 1HD1 LEU 85 0.294 -4.350 5.395 680 2HD1 LEU 85 2HD1 LEU 85 -1.398 -4.849 5.412 681 3HD1 LEU 85 3HD1 LEU 85 -0.647 -4.326 3.903 682 1HD2 LEU 85 1HD2 LEU 85 -1.396 -6.541 2.894 683 2HD2 LEU 85 2HD2 LEU 85 -2.083 -6.984 4.457 684 3HD2 LEU 85 3HD2 LEU 85 -0.905 -8.043 3.679 685 H VAL 86 H VAL 86 1.794 -7.380 1.099 686 HA VAL 86 HA VAL 86 -0.372 -9.057 0.521 687 HB VAL 86 HB VAL 86 1.925 -8.304 -1.300 688 1HG1 VAL 86 1HG1 VAL 86 -0.840 -9.317 -1.958 689 2HG1 VAL 86 2HG1 VAL 86 0.678 -10.183 -2.195 690 3HG1 VAL 86 3HG1 VAL 86 0.338 -8.726 -3.129 691 1HG2 VAL 86 1HG2 VAL 86 0.432 -6.527 -2.089 692 2HG2 VAL 86 2HG2 VAL 86 0.833 -6.347 -0.382 693 3HG2 VAL 86 3HG2 VAL 86 -0.745 -6.978 -0.856 694 H LEU 87 H LEU 87 3.111 -9.672 0.459 695 HA LEU 87 HA LEU 87 3.052 -12.283 -0.547 696 1HB LEU 87 2HB LEU 87 5.089 -10.958 -0.412 697 2HB LEU 87 1HB LEU 87 5.020 -10.984 1.337 698 HG LEU 87 HG LEU 87 5.343 -13.454 1.269 699 1HD1 LEU 87 1HD1 LEU 87 5.800 -12.962 -1.671 700 2HD1 LEU 87 2HD1 LEU 87 4.471 -13.878 -0.961 701 3HD1 LEU 87 3HD1 LEU 87 6.126 -14.471 -0.818 702 1HD2 LEU 87 1HD2 LEU 87 7.473 -11.820 -0.109 703 2HD2 LEU 87 2HD2 LEU 87 7.719 -13.353 0.728 704 3HD2 LEU 87 3HD2 LEU 87 7.217 -11.927 1.634 705 H GLN 88 H GLN 88 3.207 -11.187 2.848 706 HA GLN 88 HA GLN 88 3.216 -13.817 3.902 707 1HB GLN 88 2HB GLN 88 2.925 -12.777 6.080 708 2HB GLN 88 1HB GLN 88 4.125 -11.906 5.139 709 1HG GLN 88 2HG GLN 88 2.267 -10.295 4.532 710 2HG GLN 88 1HG GLN 88 1.314 -11.083 5.788 711 1HE2 GLN 88 1HE2 GLN 88 4.768 -10.646 5.984 712 2HE2 GLN 88 2HE2 GLN 88 4.747 -9.479 7.259 713 H SER 89 H SER 89 0.671 -11.798 2.788 714 HA SER 89 HA SER 89 -1.480 -12.906 4.239 715 1HB SER 89 2HB SER 89 -1.408 -11.716 1.457 716 2HB SER 89 1HB SER 89 -2.886 -12.111 2.329 717 HG SER 89 HG SER 89 -0.887 -10.304 3.248 718 H TYR 90 H TYR 90 0.152 -13.894 1.265 719 HA TYR 90 HA TYR 90 -1.752 -16.026 0.802 720 1HB TYR 90 2HB TYR 90 0.790 -15.295 -0.659 721 2HB TYR 90 1HB TYR 90 -0.325 -16.562 -1.157 722 HD1 TYR 90 1HD TYR 90 -2.849 -15.728 -1.384 723 HD2 TYR 90 2HD TYR 90 0.578 -13.234 -1.661 724 HE1 TYR 90 1HE TYR 90 -4.159 -14.085 -2.658 725 HE2 TYR 90 2HE TYR 90 -0.722 -11.576 -2.928 726 HH TYR 90 HH TYR 90 -2.758 -11.506 -4.344 727 H VAL 91 H VAL 91 1.695 -15.771 1.645 728 HA VAL 91 HA VAL 91 2.000 -18.616 1.794 729 HB VAL 91 HB VAL 91 4.250 -18.171 2.653 730 1HG1 VAL 91 1HG1 VAL 91 3.875 -18.133 0.256 731 2HG1 VAL 91 2HG1 VAL 91 5.112 -16.959 0.706 732 3HG1 VAL 91 3HG1 VAL 91 3.477 -16.417 0.328 733 1HG2 VAL 91 1HG2 VAL 91 3.417 -15.271 2.630 734 2HG2 VAL 91 2HG2 VAL 91 5.056 -15.861 2.898 735 3HG2 VAL 91 3HG2 VAL 91 3.781 -16.241 4.056 736 H HIS 92 H HIS 92 0.875 -16.222 3.948 737 HA HIS 92 HA HIS 92 0.098 -16.276 6.075 738 1HB HIS 92 2HB HIS 92 0.322 -19.278 5.771 739 2HB HIS 92 1HB HIS 92 -0.573 -18.439 7.031 740 HD1 HIS 92 1HD HIS 92 -1.230 -20.206 4.093 741 HD2 HIS 92 2HD HIS 92 -2.550 -16.536 5.558 742 HE1 HIS 92 1HE HIS 92 -3.342 -19.688 2.835 743 HE2 HIS 92 2HE HIS 92 -4.047 -17.403 3.630 744 H HIS 93 H HIS 93 2.890 -16.013 5.604 745 HA HIS 93 HA HIS 93 4.199 -17.460 7.775 746 1HB HIS 93 2HB HIS 93 5.265 -17.220 5.516 747 2HB HIS 93 1HB HIS 93 5.363 -15.488 5.791 748 HD1 HIS 93 1HD HIS 93 6.566 -18.669 7.518 749 HD2 HIS 93 2HD HIS 93 7.753 -14.745 6.810 750 HE1 HIS 93 1HE HIS 93 8.891 -18.481 8.464 751 HE2 HIS 93 2HE HIS 93 9.665 -16.165 7.815 752 H ILE 94 H ILE 94 2.288 -15.865 8.746 753 HA ILE 94 HA ILE 94 3.783 -13.783 10.147 754 HB ILE 94 HB ILE 94 2.617 -12.723 8.173 755 1HG1 ILE 94 2HG1 ILE 94 1.495 -10.918 9.537 756 2HG1 ILE 94 1HG1 ILE 94 1.803 -11.910 10.960 757 1HG2 ILE 94 1HG2 ILE 94 0.120 -13.496 9.668 758 2HG2 ILE 94 2HG2 ILE 94 0.649 -14.137 8.113 759 3HG2 ILE 94 3HG2 ILE 94 0.196 -12.439 8.257 760 1HD1 ILE 94 1HD1 ILE 94 4.178 -11.770 10.575 761 2HD1 ILE 94 2HD1 ILE 94 3.467 -10.159 10.659 762 3HD1 ILE 94 3HD1 ILE 94 3.906 -10.847 9.096 763 H HIS 95 H HIS 95 2.794 -13.233 12.205 764 HA HIS 95 HA HIS 95 1.310 -15.487 13.244 765 1HB HIS 95 2HB HIS 95 2.424 -13.074 14.678 766 2HB HIS 95 1HB HIS 95 1.641 -14.444 15.459 767 HD1 HIS 95 1HD HIS 95 3.049 -16.711 13.825 768 HD2 HIS 95 2HD HIS 95 4.957 -13.469 15.599 769 HE1 HIS 95 1HE HIS 95 5.435 -17.430 14.168 770 HE2 HIS 95 2HE HIS 95 6.484 -15.548 15.479 771 H LYS 96 H LYS 96 0.760 -12.241 14.495 772 HA LYS 96 HA LYS 96 -1.954 -12.251 13.415 773 1HB LYS 96 2HB LYS 96 -1.323 -12.289 16.370 774 2HB LYS 96 1HB LYS 96 -2.869 -11.750 15.732 775 1HG LYS 96 2HG LYS 96 -1.679 -14.503 15.428 776 2HG LYS 96 1HG LYS 96 -3.010 -14.042 16.492 777 1HD LYS 96 2HD LYS 96 -4.336 -13.396 14.523 778 2HD LYS 96 1HD LYS 96 -3.008 -13.904 13.477 779 1HE LYS 96 2HE LYS 96 -3.208 -16.183 14.500 780 2HE LYS 96 1HE LYS 96 -4.677 -15.622 15.298 781 1HZ LYS 96 1HZ LYS 96 -5.519 -15.058 13.023 782 2HZ LYS 96 2HZ LYS 96 -5.332 -16.712 13.329 783 3HZ LYS 96 3HZ LYS 96 -4.187 -15.890 12.388 784 H LYS 97 H LYS 97 -0.505 -10.471 16.118 785 HA LYS 97 HA LYS 97 -1.785 -8.088 15.398 786 1HB LYS 97 2HB LYS 97 -1.061 -8.614 17.687 787 2HB LYS 97 1HB LYS 97 0.615 -8.438 17.191 788 1HG LYS 97 2HG LYS 97 0.331 -6.106 16.789 789 2HG LYS 97 1HG LYS 97 -1.414 -6.226 17.014 790 1HD LYS 97 2HD LYS 97 0.680 -6.727 19.127 791 2HD LYS 97 1HD LYS 97 -0.325 -5.281 18.990 792 1HE LYS 97 2HE LYS 97 -2.331 -6.681 19.276 793 2HE LYS 97 1HE LYS 97 -1.298 -8.097 19.473 794 1HZ LYS 97 1HZ LYS 97 -1.410 -5.720 21.251 795 2HZ LYS 97 2HZ LYS 97 -0.293 -6.988 21.411 796 3HZ LYS 97 3HZ LYS 97 -1.950 -7.290 21.612 797 H ARG 98 H ARG 98 1.514 -9.207 14.728 798 HA ARG 98 HA ARG 98 2.459 -6.693 13.836 799 1HB ARG 98 2HB ARG 98 3.455 -9.473 13.204 800 2HB ARG 98 1HB ARG 98 4.290 -7.997 12.737 801 1HG ARG 98 2HG ARG 98 4.172 -7.428 15.263 802 2HG ARG 98 1HG ARG 98 3.882 -9.155 15.460 803 1HD ARG 98 2HD ARG 98 6.234 -7.982 13.985 804 2HD ARG 98 1HD ARG 98 6.273 -8.476 15.674 805 HE ARG 98 HE ARG 98 5.382 -10.616 14.038 806 1HH1 ARG 98 1HH1 ARG 98 8.257 -8.790 14.859 807 2HH1 ARG 98 2HH1 ARG 98 9.337 -10.131 14.613 808 1HH2 ARG 98 1HH2 ARG 98 6.807 -12.379 13.680 809 2HH2 ARG 98 2HH2 ARG 98 8.515 -12.178 13.940 810 H PHE 99 H PHE 99 0.582 -9.169 12.285 811 HA PHE 99 HA PHE 99 0.970 -8.294 9.600 812 1HB PHE 99 2HB PHE 99 0.064 -10.520 10.097 813 2HB PHE 99 1HB PHE 99 -1.345 -9.794 10.862 814 HD1 PHE 99 1HD PHE 99 0.346 -10.432 7.667 815 HD2 PHE 99 2HD PHE 99 -3.155 -8.925 9.555 816 HE1 PHE 99 1HE PHE 99 -0.825 -10.450 5.502 817 HE2 PHE 99 2HE PHE 99 -4.330 -8.935 7.396 818 HZ PHE 99 HZ PHE 99 -3.166 -9.701 5.365 819 H LYS 100 H LYS 100 -1.550 -7.733 12.021 820 HA LYS 100 HA LYS 100 -3.079 -5.930 10.511 821 1HB LYS 100 2HB LYS 100 -3.887 -7.045 12.572 822 2HB LYS 100 1HB LYS 100 -2.788 -6.056 13.519 823 1HG LYS 100 2HG LYS 100 -3.956 -4.054 12.877 824 2HG LYS 100 1HG LYS 100 -5.001 -4.970 11.793 825 1HD LYS 100 2HD LYS 100 -5.891 -6.204 13.728 826 2HD LYS 100 1HD LYS 100 -4.865 -5.239 14.796 827 1HE LYS 100 2HE LYS 100 -7.164 -4.389 14.718 828 2HE LYS 100 1HE LYS 100 -6.003 -3.214 14.098 829 1HZ LYS 100 1HZ LYS 100 -7.760 -4.980 12.473 830 2HZ LYS 100 2HZ LYS 100 -6.591 -3.929 11.839 831 3HZ LYS 100 3HZ LYS 100 -7.923 -3.303 12.671 832 H ASP 101 H ASP 101 -0.488 -5.431 12.848 833 HA ASP 101 HA ASP 101 -0.447 -2.639 12.921 834 1HB ASP 101 2HB ASP 101 0.849 -4.121 14.420 835 2HB ASP 101 1HB ASP 101 1.902 -4.550 13.083 836 H ILE 102 H ILE 102 1.267 -4.842 10.710 837 HA ILE 102 HA ILE 102 2.552 -2.863 9.181 838 HB ILE 102 HB ILE 102 1.599 -5.623 8.384 839 1HG1 ILE 102 2HG1 ILE 102 4.354 -4.527 9.008 840 2HG1 ILE 102 1HG1 ILE 102 3.379 -5.507 10.100 841 1HG2 ILE 102 1HG2 ILE 102 3.040 -5.415 6.410 842 2HG2 ILE 102 2HG2 ILE 102 3.362 -3.733 6.830 843 3HG2 ILE 102 3HG2 ILE 102 1.731 -4.232 6.387 844 1HD1 ILE 102 1HD1 ILE 102 5.115 -6.819 9.011 845 2HD1 ILE 102 2HD1 ILE 102 4.461 -6.385 7.430 846 3HD1 ILE 102 3HD1 ILE 102 3.509 -7.371 8.539 847 H THR 103 H THR 103 -0.661 -4.325 8.856 848 HA THR 103 HA THR 103 -1.465 -2.952 6.533 849 HB THR 103 HB THR 103 -3.270 -3.774 8.818 850 HG1 THR 103 1HG THR 103 -1.759 -5.444 7.829 851 1HG2 THR 103 1HG2 THR 103 -4.963 -3.998 7.089 852 2HG2 THR 103 2HG2 THR 103 -3.795 -3.526 5.857 853 3HG2 THR 103 3HG2 THR 103 -4.298 -2.364 7.084 854 H GLU 104 H GLU 104 -1.832 -2.189 9.954 855 HA GLU 104 HA GLU 104 -3.363 0.135 9.718 856 1HB GLU 104 2HB GLU 104 -1.413 -0.762 11.846 857 2HB GLU 104 1HB GLU 104 -2.493 0.601 12.036 858 1HG GLU 104 2HG GLU 104 -3.296 -2.264 11.626 859 2HG GLU 104 1HG GLU 104 -3.363 -1.364 13.139 860 H SER 105 H SER 105 0.170 -0.255 10.055 861 HA SER 105 HA SER 105 0.774 2.485 10.104 862 1HB SER 105 2HB SER 105 3.085 1.678 9.345 863 2HB SER 105 1HB SER 105 2.462 1.011 10.853 864 HG SER 105 HG SER 105 2.137 -0.900 9.910 865 H VAL 106 H VAL 106 0.511 0.219 7.400 866 HA VAL 106 HA VAL 106 1.296 2.021 5.371 867 HB VAL 106 HB VAL 106 -0.513 -0.401 5.228 868 1HG1 VAL 106 1HG1 VAL 106 0.752 1.166 2.985 869 2HG1 VAL 106 2HG1 VAL 106 -0.972 1.046 3.336 870 3HG1 VAL 106 3HG1 VAL 106 -0.077 -0.381 2.812 871 1HG2 VAL 106 1HG2 VAL 106 1.755 -0.902 5.942 872 2HG2 VAL 106 2HG2 VAL 106 2.401 -0.030 4.551 873 3HG2 VAL 106 3HG2 VAL 106 1.470 -1.509 4.311 874 H LEU 107 H LEU 107 -1.961 1.001 6.403 875 HA LEU 107 HA LEU 107 -3.436 2.697 4.755 876 1HB LEU 107 2HB LEU 107 -4.018 1.420 7.408 877 2HB LEU 107 1HB LEU 107 -5.207 2.425 6.609 878 HG LEU 107 HG LEU 107 -3.988 -0.083 5.452 879 1HD1 LEU 107 1HD1 LEU 107 -5.467 -0.576 7.310 880 2HD1 LEU 107 2HD1 LEU 107 -6.217 -1.043 5.784 881 3HD1 LEU 107 3HD1 LEU 107 -6.725 0.436 6.600 882 1HD2 LEU 107 1HD2 LEU 107 -4.589 1.553 3.736 883 2HD2 LEU 107 2HD2 LEU 107 -6.209 1.681 4.421 884 3HD2 LEU 107 3HD2 LEU 107 -5.675 0.163 3.702 885 H TYR 108 H TYR 108 -2.213 3.238 8.014 886 HA TYR 108 HA TYR 108 -3.371 5.712 8.569 887 1HB TYR 108 2HB TYR 108 -2.140 4.280 10.182 888 2HB TYR 108 1HB TYR 108 -0.637 4.681 9.369 889 HD1 TYR 108 1HD TYR 108 -3.148 5.764 11.745 890 HD2 TYR 108 2HD TYR 108 0.300 6.970 9.565 891 HE1 TYR 108 1HE TYR 108 -2.843 7.659 13.280 892 HE2 TYR 108 2HE TYR 108 0.611 8.865 11.096 893 HH TYR 108 HH TYR 108 -0.783 9.082 14.046 894 H THR 109 H THR 109 -0.232 4.987 7.069 895 HA THR 109 HA THR 109 0.449 7.712 6.644 896 HB THR 109 HB THR 109 1.580 5.286 5.244 897 HG1 THR 109 1HG THR 109 1.997 4.842 7.322 898 1HG2 THR 109 1HG2 THR 109 2.782 8.002 5.817 899 2HG2 THR 109 2HG2 THR 109 2.213 7.445 4.243 900 3HG2 THR 109 3HG2 THR 109 3.590 6.657 5.011 901 H LEU 110 H LEU 110 -1.019 5.205 4.618 902 HA LEU 110 HA LEU 110 -0.947 6.510 2.160 903 1HB LEU 110 2HB LEU 110 -2.995 4.616 3.298 904 2HB LEU 110 1HB LEU 110 -3.027 5.171 1.637 905 HG LEU 110 HG LEU 110 -0.828 3.548 2.916 906 1HD1 LEU 110 1HD1 LEU 110 -1.591 1.778 1.416 907 2HD1 LEU 110 2HD1 LEU 110 -2.903 2.815 0.856 908 3HD1 LEU 110 3HD1 LEU 110 -2.864 2.270 2.533 909 1HD2 LEU 110 1HD2 LEU 110 -1.149 4.495 0.071 910 2HD2 LEU 110 2HD2 LEU 110 0.113 3.417 0.668 911 3HD2 LEU 110 3HD2 LEU 110 0.039 5.088 1.230 912 H HIS 111 H HIS 111 -3.337 6.747 4.760 913 HA HIS 111 HA HIS 111 -5.119 8.435 3.355 914 1HB HIS 111 2HB HIS 111 -4.745 7.649 6.196 915 2HB HIS 111 1HB HIS 111 -5.675 9.111 5.887 916 HD1 HIS 111 1HD HIS 111 -8.070 8.806 5.284 917 HD2 HIS 111 2HD HIS 111 -5.870 5.297 4.863 918 HE1 HIS 111 1HE HIS 111 -9.749 7.006 4.750 919 HE2 HIS 111 2HE HIS 111 -8.412 4.868 4.635 920 H ALA 112 H ALA 112 -2.280 9.074 5.313 921 HA ALA 112 HA ALA 112 -2.686 11.888 5.523 922 1HB ALA 112 1HB ALA 112 -1.262 10.672 7.096 923 2HB ALA 112 2HB ALA 112 -0.366 11.965 6.297 924 3HB ALA 112 3HB ALA 112 -0.136 10.292 5.790 925 H VAL 113 H VAL 113 -1.035 9.805 3.225 926 HA VAL 113 HA VAL 113 0.224 11.986 1.825 927 HB VAL 113 HB VAL 113 -0.150 9.121 0.917 928 1HG1 VAL 113 1HG1 VAL 113 0.361 10.603 -0.929 929 2HG1 VAL 113 2HG1 VAL 113 1.763 9.599 -0.560 930 3HG1 VAL 113 3HG1 VAL 113 1.723 11.284 -0.041 931 1HG2 VAL 113 1HG2 VAL 113 2.175 10.402 2.345 932 2HG2 VAL 113 2HG2 VAL 113 2.146 8.764 1.691 933 3HG2 VAL 113 3HG2 VAL 113 1.069 9.206 3.017 934 H LYS 114 H LYS 114 -2.508 9.811 1.256 935 HA LYS 114 HA LYS 114 -3.236 10.667 -1.289 936 1HB LYS 114 2HB LYS 114 -4.110 8.660 -0.017 937 2HB LYS 114 1HB LYS 114 -5.136 9.762 0.879 938 1HG LYS 114 2HG LYS 114 -5.276 9.784 -2.093 939 2HG LYS 114 1HG LYS 114 -6.033 8.458 -1.214 940 1HD LYS 114 2HD LYS 114 -6.585 11.374 -0.670 941 2HD LYS 114 1HD LYS 114 -7.560 10.371 -1.747 942 1HE LYS 114 2HE LYS 114 -8.074 8.868 0.099 943 2HE LYS 114 1HE LYS 114 -7.066 9.828 1.181 944 1HZ LYS 114 1HZ LYS 114 -9.511 10.808 -0.203 945 2HZ LYS 114 2HZ LYS 114 -8.562 11.686 0.887 946 3HZ LYS 114 3HZ LYS 114 -9.426 10.333 1.422 947 H ASP 115 H ASP 115 -4.032 11.976 1.878 948 HA ASP 115 HA ASP 115 -6.032 13.774 1.032 949 1HB ASP 115 2HB ASP 115 -5.696 13.116 3.396 950 2HB ASP 115 1HB ASP 115 -4.191 14.032 3.420 951 H GLU 116 H GLU 116 -2.531 14.223 1.542 952 HA GLU 116 HA GLU 116 -2.544 16.966 0.858 953 1HB GLU 116 2HB GLU 116 -0.723 16.080 2.156 954 2HB GLU 116 1HB GLU 116 -0.300 14.945 0.881 955 1HG GLU 116 2HG GLU 116 0.536 16.630 -0.504 956 2HG GLU 116 1HG GLU 116 -0.253 17.903 0.421 957 H ILE 117 H ILE 117 -1.969 14.038 -1.049 958 HA ILE 117 HA ILE 117 -1.174 15.246 -3.439 959 HB ILE 117 HB ILE 117 -2.810 12.728 -3.065 960 1HG1 ILE 117 2HG1 ILE 117 0.159 13.123 -3.512 961 2HG1 ILE 117 1HG1 ILE 117 -0.589 12.717 -1.972 962 1HG2 ILE 117 1HG2 ILE 117 -3.070 13.544 -5.329 963 2HG2 ILE 117 2HG2 ILE 117 -2.031 12.119 -5.324 964 3HG2 ILE 117 3HG2 ILE 117 -1.324 13.725 -5.492 965 1HD1 ILE 117 1HD1 ILE 117 0.380 10.762 -3.016 966 2HD1 ILE 117 2HD1 ILE 117 -0.615 11.014 -4.450 967 3HD1 ILE 117 3HD1 ILE 117 -1.373 10.605 -2.909 968 H ALA 118 H ALA 118 -4.435 14.456 -2.277 969 HA ALA 118 HA ALA 118 -5.752 15.610 -4.536 970 1HB ALA 118 1HB ALA 118 -6.866 14.980 -1.802 971 2HB ALA 118 2HB ALA 118 -6.795 13.860 -3.164 972 3HB ALA 118 3HB ALA 118 -7.799 15.308 -3.262 973 H ARG 119 H ARG 119 -4.572 16.785 -1.507 974 HA ARG 119 HA ARG 119 -6.112 19.140 -1.272 975 1HB ARG 119 2HB ARG 119 -4.812 18.124 0.571 976 2HB ARG 119 1HB ARG 119 -3.322 18.568 -0.248 977 1HG ARG 119 2HG ARG 119 -4.064 20.961 -0.081 978 2HG ARG 119 1HG ARG 119 -5.371 20.401 0.963 979 1HD ARG 119 2HD ARG 119 -3.667 19.377 2.452 980 2HD ARG 119 1HD ARG 119 -2.411 20.094 1.446 981 HE ARG 119 HE ARG 119 -4.112 21.440 3.361 982 1HH1 ARG 119 1HH1 ARG 119 -1.888 21.780 0.662 983 2HH1 ARG 119 2HH1 ARG 119 -1.529 23.446 1.014 984 1HH2 ARG 119 1HH2 ARG 119 -3.614 23.625 3.828 985 2HH2 ARG 119 2HH2 ARG 119 -2.480 24.482 2.829 986 H GLU 120 H GLU 120 -2.797 18.633 -2.501 987 HA GLU 120 HA GLU 120 -2.481 21.356 -3.282 988 1HB GLU 120 2HB GLU 120 -0.913 18.990 -4.262 989 2HB GLU 120 1HB GLU 120 -0.406 20.668 -4.286 990 1HG GLU 120 2HG GLU 120 -0.774 18.901 -1.883 991 2HG GLU 120 1HG GLU 120 0.736 19.556 -2.512 992 H ASP 121 H ASP 121 -2.548 18.431 -5.302 993 HA ASP 121 HA ASP 121 -4.648 19.179 -6.951 994 1HB ASP 121 2HB ASP 121 -3.524 19.805 -9.054 995 2HB ASP 121 1HB ASP 121 -3.246 20.998 -7.796 996 H SER 122 H SER 122 -1.418 17.743 -7.270 997 HA SER 122 HA SER 122 -2.350 15.094 -7.314 998 1HB SER 122 2HB SER 122 -1.778 14.597 -9.728 999 2HB SER 122 1HB SER 122 -3.248 15.541 -9.491 1000 HG SER 122 HG SER 122 -1.755 17.433 -9.800 1001 H ARG 123 H ARG 123 0.145 16.813 -9.190 1002 HA ARG 123 HA ARG 123 2.267 16.213 -7.431 1003 1HB ARG 123 2HB ARG 123 3.464 14.618 -9.049 1004 2HB ARG 123 1HB ARG 123 2.212 13.953 -8.020 1005 1HG ARG 123 2HG ARG 123 2.035 13.002 -10.214 1006 2HG ARG 123 1HG ARG 123 0.640 14.037 -9.921 1007 1HD ARG 123 2HD ARG 123 1.377 15.659 -11.408 1008 2HD ARG 123 1HD ARG 123 3.050 15.107 -11.336 1009 HE ARG 123 HE ARG 123 2.335 13.153 -12.646 1010 1HH1 ARG 123 1HH1 ARG 123 0.308 16.027 -12.703 1011 2HH1 ARG 123 2HH1 ARG 123 -0.426 15.624 -14.229 1012 1HH2 ARG 123 1HH2 ARG 123 1.435 12.666 -14.654 1013 2HH2 ARG 123 2HH2 ARG 123 0.218 13.704 -15.336 Start of MODEL 20 1 1H MET 1 1HT MET 1 -12.592 13.980 -7.748 2 2H MET 1 2HT MET 1 -11.835 14.849 -8.988 3 3H MET 1 3HT MET 1 -12.191 15.608 -7.517 4 HA MET 1 HA MET 1 -9.838 15.051 -7.737 5 1HB MET 1 2HB MET 1 -11.442 13.678 -5.582 6 2HB MET 1 1HB MET 1 -9.685 13.673 -5.584 7 1HG MET 1 2HG MET 1 -10.432 15.411 -4.145 8 2HG MET 1 1HG MET 1 -9.727 16.151 -5.580 9 1HE MET 1 1HE MET 1 -14.224 15.978 -4.556 10 2HE MET 1 2HE MET 1 -12.918 15.471 -3.482 11 3HE MET 1 3HE MET 1 -13.294 14.525 -4.923 12 H LEU 2 H LEU 2 -9.763 13.832 -9.777 13 HA LEU 2 HA LEU 2 -8.798 11.136 -9.201 14 1HB LEU 2 2HB LEU 2 -10.821 11.796 -11.344 15 2HB LEU 2 1HB LEU 2 -9.837 10.347 -11.381 16 HG LEU 2 HG LEU 2 -11.792 11.037 -9.186 17 1HD1 LEU 2 1HD1 LEU 2 -12.931 10.594 -11.296 18 2HD1 LEU 2 2HD1 LEU 2 -13.186 9.277 -10.149 19 3HD1 LEU 2 3HD1 LEU 2 -12.033 9.086 -11.471 20 1HD2 LEU 2 1HD2 LEU 2 -10.250 8.508 -9.765 21 2HD2 LEU 2 2HD2 LEU 2 -11.447 8.721 -8.487 22 3HD2 LEU 2 3HD2 LEU 2 -9.936 9.631 -8.440 23 H SER 3 H SER 3 -6.740 12.073 -9.435 24 HA SER 3 HA SER 3 -6.060 12.856 -12.187 25 1HB SER 3 2HB SER 3 -6.085 14.834 -10.715 26 2HB SER 3 1HB SER 3 -4.945 14.042 -9.629 27 HG SER 3 HG SER 3 -4.221 15.592 -11.441 28 H GLN 4 H GLN 4 -4.087 12.145 -12.979 29 HA GLN 4 HA GLN 4 -3.001 9.840 -11.577 30 1HB GLN 4 2HB GLN 4 -2.676 10.857 -14.394 31 2HB GLN 4 1HB GLN 4 -1.711 9.533 -13.756 32 1HG GLN 4 2HG GLN 4 -3.913 8.401 -13.199 33 2HG GLN 4 1HG GLN 4 -4.676 9.632 -14.205 34 1HE2 GLN 4 1HE2 GLN 4 -4.476 6.729 -14.520 35 2HE2 GLN 4 2HE2 GLN 4 -3.760 6.465 -16.072 36 H THR 5 H THR 5 -2.416 12.714 -10.842 37 HA THR 5 HA THR 5 0.339 13.163 -11.290 38 HB THR 5 HB THR 5 0.118 14.519 -9.109 39 HG1 THR 5 1HG THR 5 -2.331 14.916 -8.859 40 1HG2 THR 5 1HG2 THR 5 -0.016 15.541 -11.326 41 2HG2 THR 5 2HG2 THR 5 -1.169 16.289 -10.219 42 3HG2 THR 5 3HG2 THR 5 -1.727 15.125 -11.421 43 H LEU 6 H LEU 6 -1.322 11.995 -8.386 44 HA LEU 6 HA LEU 6 0.415 9.737 -8.103 45 1HB LEU 6 2HB LEU 6 1.816 11.574 -7.174 46 2HB LEU 6 1HB LEU 6 0.550 11.919 -6.012 47 HG LEU 6 HG LEU 6 0.863 9.626 -5.071 48 1HD1 LEU 6 1HD1 LEU 6 1.833 8.546 -7.026 49 2HD1 LEU 6 2HD1 LEU 6 2.906 8.404 -5.632 50 3HD1 LEU 6 3HD1 LEU 6 3.260 9.578 -6.901 51 1HD2 LEU 6 1HD2 LEU 6 2.951 10.149 -3.910 52 2HD2 LEU 6 2HD2 LEU 6 1.902 11.561 -4.031 53 3HD2 LEU 6 3HD2 LEU 6 3.296 11.404 -5.100 54 H LEU 7 H LEU 7 -2.459 11.052 -7.990 55 HA LEU 7 HA LEU 7 -3.385 10.372 -5.362 56 1HB LEU 7 2HB LEU 7 -4.237 12.318 -6.627 57 2HB LEU 7 1HB LEU 7 -4.952 11.221 -7.790 58 HG LEU 7 HG LEU 7 -6.420 10.311 -6.034 59 1HD1 LEU 7 1HD1 LEU 7 -6.554 11.407 -3.863 60 2HD1 LEU 7 2HD1 LEU 7 -5.196 12.448 -4.290 61 3HD1 LEU 7 3HD1 LEU 7 -4.953 10.710 -4.114 62 1HD2 LEU 7 1HD2 LEU 7 -7.844 12.285 -5.778 63 2HD2 LEU 7 2HD2 LEU 7 -7.207 12.155 -7.417 64 3HD2 LEU 7 3HD2 LEU 7 -6.507 13.316 -6.288 65 H GLU 8 H GLU 8 -4.073 9.151 -8.646 66 HA GLU 8 HA GLU 8 -5.893 7.184 -7.756 67 1HB GLU 8 2HB GLU 8 -5.168 6.159 -10.121 68 2HB GLU 8 1HB GLU 8 -6.291 7.491 -9.947 69 1HG GLU 8 2HG GLU 8 -4.724 7.948 -11.709 70 2HG GLU 8 1HG GLU 8 -4.485 9.075 -10.379 71 H MET 9 H MET 9 -2.457 7.058 -8.477 72 HA MET 9 HA MET 9 -2.077 4.311 -8.096 73 1HB MET 9 2HB MET 9 -0.265 6.678 -7.673 74 2HB MET 9 1HB MET 9 0.282 5.031 -7.382 75 1HG MET 9 2HG MET 9 -0.117 4.437 -9.675 76 2HG MET 9 1HG MET 9 -0.856 6.006 -9.989 77 1HE MET 9 1HE MET 9 0.978 8.074 -8.585 78 2HE MET 9 2HE MET 9 0.446 8.244 -10.258 79 3HE MET 9 3HE MET 9 2.148 8.444 -9.851 80 H THR 10 H THR 10 -2.167 6.953 -5.745 81 HA THR 10 HA THR 10 -1.627 5.334 -3.480 82 HB THR 10 HB THR 10 -3.168 7.939 -3.597 83 HG1 THR 10 1HG THR 10 -1.147 8.383 -4.361 84 1HG2 THR 10 1HG2 THR 10 -1.761 6.572 -1.296 85 2HG2 THR 10 2HG2 THR 10 -3.506 6.754 -1.490 86 3HG2 THR 10 3HG2 THR 10 -2.492 8.177 -1.243 87 H GLU 11 H GLU 11 -4.634 6.464 -4.999 88 HA GLU 11 HA GLU 11 -6.493 5.393 -3.238 89 1HB GLU 11 2HB GLU 11 -6.623 5.782 -6.227 90 2HB GLU 11 1HB GLU 11 -8.008 5.284 -5.269 91 1HG GLU 11 2HG GLU 11 -6.469 7.820 -4.797 92 2HG GLU 11 1HG GLU 11 -7.915 7.709 -5.799 93 H GLN 12 H GLN 12 -5.015 3.860 -6.097 94 HA GLN 12 HA GLN 12 -6.411 1.416 -5.849 95 1HB GLN 12 2HB GLN 12 -5.263 2.122 -7.921 96 2HB GLN 12 1HB GLN 12 -3.710 1.928 -7.120 97 1HG GLN 12 2HG GLN 12 -4.084 -0.448 -6.893 98 2HG GLN 12 1HG GLN 12 -5.699 -0.286 -7.580 99 1HE2 GLN 12 1HE2 GLN 12 -3.425 -1.882 -8.475 100 2HE2 GLN 12 2HE2 GLN 12 -3.096 -1.394 -10.102 101 H MET 13 H MET 13 -3.288 2.515 -4.600 102 HA MET 13 HA MET 13 -2.475 0.056 -3.487 103 1HB MET 13 2HB MET 13 -0.911 1.904 -3.816 104 2HB MET 13 1HB MET 13 -1.785 2.875 -2.637 105 1HG MET 13 2HG MET 13 -1.151 1.386 -0.863 106 2HG MET 13 1HG MET 13 -0.409 0.271 -2.011 107 1HE MET 13 1HE MET 13 2.643 2.344 -3.303 108 2HE MET 13 2HE MET 13 1.034 2.248 -4.020 109 3HE MET 13 3HE MET 13 1.799 0.795 -3.369 110 H ILE 14 H ILE 14 -4.366 2.733 -2.161 111 HA ILE 14 HA ILE 14 -4.611 1.777 0.469 112 HB ILE 14 HB ILE 14 -6.564 3.440 -1.141 113 1HG1 ILE 14 2HG1 ILE 14 -4.483 4.237 0.908 114 2HG1 ILE 14 1HG1 ILE 14 -4.336 4.466 -0.829 115 1HG2 ILE 14 1HG2 ILE 14 -6.452 2.950 1.838 116 2HG2 ILE 14 2HG2 ILE 14 -7.700 2.379 0.731 117 3HG2 ILE 14 3HG2 ILE 14 -7.508 4.105 1.028 118 1HD1 ILE 14 1HD1 ILE 14 -6.235 5.993 -0.786 119 2HD1 ILE 14 2HD1 ILE 14 -4.950 6.525 0.297 120 3HD1 ILE 14 3HD1 ILE 14 -6.391 5.748 0.954 121 H GLU 15 H GLU 15 -6.615 1.264 -2.392 122 HA GLU 15 HA GLU 15 -8.639 -0.236 -1.148 123 1HB GLU 15 2HB GLU 15 -8.598 0.872 -3.479 124 2HB GLU 15 1HB GLU 15 -7.823 -0.613 -4.012 125 1HG GLU 15 2HG GLU 15 -10.153 -0.777 -4.445 126 2HG GLU 15 1HG GLU 15 -9.754 -1.884 -3.136 127 H VAL 16 H VAL 16 -5.715 -1.236 -2.895 128 HA VAL 16 HA VAL 16 -6.143 -4.005 -2.717 129 HB VAL 16 HB VAL 16 -3.533 -2.482 -2.909 130 1HG1 VAL 16 1HG1 VAL 16 -4.071 -5.409 -3.410 131 2HG1 VAL 16 2HG1 VAL 16 -3.152 -4.745 -2.057 132 3HG1 VAL 16 3HG1 VAL 16 -2.547 -4.569 -3.705 133 1HG2 VAL 16 1HG2 VAL 16 -3.655 -3.037 -5.282 134 2HG2 VAL 16 2HG2 VAL 16 -5.065 -2.104 -4.778 135 3HG2 VAL 16 3HG2 VAL 16 -5.200 -3.846 -5.020 136 H ALA 17 H ALA 17 -4.444 -1.781 -0.529 137 HA ALA 17 HA ALA 17 -3.508 -3.756 1.257 138 1HB ALA 17 1HB ALA 17 -4.158 -0.867 1.845 139 2HB ALA 17 2HB ALA 17 -2.635 -1.453 1.175 140 3HB ALA 17 3HB ALA 17 -3.123 -1.926 2.801 141 H GLU 18 H GLU 18 -6.391 -1.664 1.369 142 HA GLU 18 HA GLU 18 -7.514 -2.608 3.714 143 1HB GLU 18 2HB GLU 18 -8.066 -0.730 1.860 144 2HB GLU 18 1HB GLU 18 -9.296 -1.917 1.458 145 1HG GLU 18 2HG GLU 18 -8.930 -1.025 4.271 146 2HG GLU 18 1HG GLU 18 -9.805 -0.034 3.113 147 H LYS 19 H LYS 19 -7.995 -3.726 0.373 148 HA LYS 19 HA LYS 19 -9.866 -5.740 1.166 149 1HB LYS 19 2HB LYS 19 -8.641 -4.866 -1.395 150 2HB LYS 19 1HB LYS 19 -9.291 -6.497 -1.326 151 1HG LYS 19 2HG LYS 19 -10.922 -4.861 -2.177 152 2HG LYS 19 1HG LYS 19 -11.469 -5.645 -0.693 153 1HD LYS 19 2HD LYS 19 -10.591 -3.660 0.564 154 2HD LYS 19 1HD LYS 19 -10.319 -2.876 -0.992 155 1HE LYS 19 2HE LYS 19 -12.697 -3.054 -1.504 156 2HE LYS 19 1HE LYS 19 -12.975 -3.869 0.036 157 1HZ LYS 19 1HZ LYS 19 -11.957 -1.096 -0.316 158 2HZ LYS 19 2HZ LYS 19 -12.193 -1.872 1.178 159 3HZ LYS 19 3HZ LYS 19 -13.523 -1.527 0.183 160 H GLY 20 H GLY 20 -6.414 -5.629 0.710 161 1HA GLY 20 2HA GLY 20 -5.909 -8.400 0.655 162 2HA GLY 20 1HA GLY 20 -4.808 -7.173 1.274 163 H ALA 21 H ALA 21 -6.211 -6.127 3.354 164 HA ALA 21 HA ALA 21 -5.914 -8.015 5.422 165 1HB ALA 21 1HB ALA 21 -6.939 -6.319 6.858 166 2HB ALA 21 2HB ALA 21 -7.442 -5.410 5.433 167 3HB ALA 21 3HB ALA 21 -5.727 -5.606 5.795 168 H ASP 22 H ASP 22 -8.756 -6.759 3.744 169 HA ASP 22 HA ASP 22 -10.725 -8.152 5.189 170 1HB ASP 22 2HB ASP 22 -11.254 -6.288 3.698 171 2HB ASP 22 1HB ASP 22 -10.741 -7.228 2.303 172 H ARG 23 H ARG 23 -8.797 -9.097 2.388 173 HA ARG 23 HA ARG 23 -10.132 -11.555 1.894 174 1HB ARG 23 2HB ARG 23 -8.626 -10.342 0.292 175 2HB ARG 23 1HB ARG 23 -7.261 -10.844 1.273 176 1HG ARG 23 2HG ARG 23 -7.465 -12.278 -0.646 177 2HG ARG 23 1HG ARG 23 -7.818 -13.193 0.819 178 1HD ARG 23 2HD ARG 23 -10.114 -13.257 0.363 179 2HD ARG 23 1HD ARG 23 -10.009 -11.937 -0.804 180 HE ARG 23 HE ARG 23 -8.445 -14.013 -1.783 181 1HH1 ARG 23 1HH1 ARG 23 -11.831 -13.594 -0.945 182 2HH1 ARG 23 2HH1 ARG 23 -12.395 -14.554 -2.278 183 1HH2 ARG 23 1HH2 ARG 23 -9.189 -15.306 -3.493 184 2HH2 ARG 23 2HH2 ARG 23 -10.904 -15.546 -3.716 185 H TYR 24 H TYR 24 -7.321 -10.640 3.827 186 HA TYR 24 HA TYR 24 -6.620 -13.219 4.738 187 1HB TYR 24 2HB TYR 24 -5.260 -11.085 4.919 188 2HB TYR 24 1HB TYR 24 -6.302 -10.623 6.257 189 HD1 TYR 24 1HD TYR 24 -5.938 -11.488 8.442 190 HD2 TYR 24 2HD TYR 24 -3.813 -13.117 5.132 191 HE1 TYR 24 1HE TYR 24 -4.454 -12.692 9.993 192 HE2 TYR 24 2HE TYR 24 -2.331 -14.328 6.673 193 HH TYR 24 HH TYR 24 -2.972 -14.591 10.034 194 H GLN 25 H GLN 25 -8.882 -10.785 5.886 195 HA GLN 25 HA GLN 25 -9.703 -12.071 8.258 196 1HB GLN 25 2HB GLN 25 -11.100 -10.101 6.452 197 2HB GLN 25 1HB GLN 25 -11.782 -10.650 7.971 198 1HG GLN 25 2HG GLN 25 -9.791 -9.768 9.136 199 2HG GLN 25 1HG GLN 25 -9.214 -9.137 7.595 200 1HE2 GLN 25 1HE2 GLN 25 -11.969 -8.498 6.736 201 2HE2 GLN 25 2HE2 GLN 25 -12.402 -7.063 7.603 202 H GLU 26 H GLU 26 -10.701 -12.400 4.913 203 HA GLU 26 HA GLU 26 -13.049 -13.911 5.361 204 1HB GLU 26 2HB GLU 26 -12.456 -12.783 3.211 205 2HB GLU 26 1HB GLU 26 -11.209 -13.997 2.959 206 1HG GLU 26 2HG GLU 26 -12.992 -15.738 3.021 207 2HG GLU 26 1HG GLU 26 -14.181 -14.439 3.068 208 H GLY 27 H GLY 27 -9.661 -14.763 4.948 209 1HA GLY 27 2HA GLY 27 -8.524 -16.686 5.502 210 2HA GLY 27 1HA GLY 27 -9.987 -17.261 6.296 211 H LYS 28 H LYS 28 -8.567 -16.780 3.082 212 HA LYS 28 HA LYS 28 -10.533 -18.516 1.892 213 1HB LYS 28 2HB LYS 28 -9.369 -16.404 0.871 214 2HB LYS 28 1HB LYS 28 -8.117 -17.551 0.421 215 1HG LYS 28 2HG LYS 28 -9.676 -17.209 -1.401 216 2HG LYS 28 1HG LYS 28 -9.772 -18.871 -0.807 217 1HD LYS 28 2HD LYS 28 -11.791 -18.419 0.369 218 2HD LYS 28 1HD LYS 28 -11.627 -16.682 0.111 219 1HE LYS 28 2HE LYS 28 -11.894 -17.067 -2.324 220 2HE LYS 28 1HE LYS 28 -12.175 -18.777 -1.989 221 1HZ LYS 28 1HZ LYS 28 -14.186 -17.235 -2.260 222 2HZ LYS 28 2HZ LYS 28 -13.819 -16.697 -0.687 223 3HZ LYS 28 3HZ LYS 28 -14.185 -18.332 -0.966 224 H ASN 29 H ASN 29 -9.880 -20.308 3.297 225 HA ASN 29 HA ASN 29 -9.251 -22.485 3.341 226 1HB ASN 29 2HB ASN 29 -9.338 -22.128 0.743 227 2HB ASN 29 1HB ASN 29 -7.585 -22.201 0.866 228 1HD2 ASN 29 1HD2 ASN 29 -9.308 -24.010 -0.506 229 2HD2 ASN 29 2HD2 ASN 29 -9.090 -25.565 0.213 230 H SER 30 H SER 30 -7.568 -23.693 4.192 231 HA SER 30 HA SER 30 -5.048 -22.236 4.621 232 1HB SER 30 2HB SER 30 -6.468 -22.894 6.629 233 2HB SER 30 1HB SER 30 -6.092 -24.571 6.235 234 HG SER 30 HG SER 30 -4.643 -22.872 7.645 235 H ASN 31 H ASN 31 -6.404 -24.603 2.792 236 HA ASN 31 HA ASN 31 -4.286 -26.541 2.774 237 1HB ASN 31 2HB ASN 31 -6.559 -27.199 2.177 238 2HB ASN 31 1HB ASN 31 -6.573 -26.047 0.848 239 1HD2 ASN 31 1HD2 ASN 31 -5.410 -29.105 1.979 240 2HD2 ASN 31 2HD2 ASN 31 -4.830 -29.684 0.455 241 H HIS 32 H HIS 32 -2.346 -26.068 2.011 242 HA HIS 32 HA HIS 32 -1.994 -23.879 0.155 243 1HB HIS 32 2HB HIS 32 -0.455 -24.278 2.092 244 2HB HIS 32 1HB HIS 32 0.099 -25.744 1.294 245 HD1 HIS 32 1HD HIS 32 0.354 -22.010 1.140 246 HD2 HIS 32 2HD HIS 32 1.864 -25.346 -0.842 247 HE1 HIS 32 1HE HIS 32 2.230 -21.157 -0.303 248 HE2 HIS 32 2HE HIS 32 3.247 -23.218 -1.342 249 H SER 33 H SER 33 -3.258 -24.997 -1.537 250 HA SER 33 HA SER 33 -1.641 -26.921 -3.051 251 1HB SER 33 2HB SER 33 -3.833 -26.932 -4.483 252 2HB SER 33 1HB SER 33 -3.816 -27.762 -2.926 253 HG SER 33 HG SER 33 -5.198 -26.374 -2.164 254 H TYR 34 H TYR 34 -1.835 -23.731 -2.733 255 HA TYR 34 HA TYR 34 -1.497 -23.135 -5.592 256 1HB TYR 34 2HB TYR 34 -1.677 -21.049 -3.424 257 2HB TYR 34 1HB TYR 34 -2.063 -20.896 -5.134 258 HD1 TYR 34 1HD TYR 34 -3.320 -21.699 -1.852 259 HD2 TYR 34 2HD TYR 34 -4.169 -21.947 -6.013 260 HE1 TYR 34 1HE TYR 34 -5.687 -22.106 -1.334 261 HE2 TYR 34 2HE TYR 34 -6.543 -22.348 -5.507 262 HH TYR 34 HH TYR 34 -7.901 -23.223 -3.625 263 H ASP 35 H ASP 35 0.626 -23.953 -5.758 264 HA ASP 35 HA ASP 35 2.531 -23.205 -3.710 265 1HB ASP 35 2HB ASP 35 2.678 -25.101 -6.038 266 2HB ASP 35 1HB ASP 35 4.096 -24.691 -5.076 267 H PHE 36 H PHE 36 2.459 -20.918 -4.290 268 HA PHE 36 HA PHE 36 3.809 -19.149 -4.745 269 1HB PHE 36 2HB PHE 36 5.407 -21.225 -4.096 270 2HB PHE 36 1HB PHE 36 6.049 -20.830 -5.685 271 HD1 PHE 36 1HD PHE 36 7.455 -18.968 -5.993 272 HD2 PHE 36 2HD PHE 36 5.334 -19.450 -2.334 273 HE1 PHE 36 1HE PHE 36 8.774 -17.148 -4.992 274 HE2 PHE 36 2HE PHE 36 6.646 -17.629 -1.328 275 HZ PHE 36 HZ PHE 36 8.368 -16.476 -2.656 276 H PHE 37 H PHE 37 2.266 -20.353 -7.084 277 HA PHE 37 HA PHE 37 3.623 -18.765 -9.101 278 1HB PHE 37 2HB PHE 37 4.577 -21.052 -9.327 279 2HB PHE 37 1HB PHE 37 2.959 -21.672 -9.628 280 HD1 PHE 37 1HD PHE 37 2.274 -21.925 -11.806 281 HD2 PHE 37 2HD PHE 37 5.317 -19.089 -10.918 282 HE1 PHE 37 1HE PHE 37 2.549 -21.475 -14.210 283 HE2 PHE 37 2HE PHE 37 5.601 -18.633 -13.319 284 HZ PHE 37 HZ PHE 37 4.216 -19.826 -14.970 285 H GLU 38 H GLU 38 0.843 -20.764 -8.252 286 HA GLU 38 HA GLU 38 -0.782 -20.014 -10.413 287 1HB GLU 38 2HB GLU 38 -1.593 -20.939 -7.659 288 2HB GLU 38 1HB GLU 38 -2.653 -20.872 -9.062 289 1HG GLU 38 2HG GLU 38 -0.252 -22.631 -8.651 290 2HG GLU 38 1HG GLU 38 -1.939 -23.117 -8.809 291 H THR 39 H THR 39 -1.021 -18.899 -7.034 292 HA THR 39 HA THR 39 -2.387 -16.505 -8.023 293 HB THR 39 HB THR 39 -3.592 -17.754 -6.298 294 HG1 THR 39 1HG THR 39 -3.296 -15.239 -6.313 295 1HG2 THR 39 1HG2 THR 39 -2.724 -17.895 -4.001 296 2HG2 THR 39 2HG2 THR 39 -1.193 -17.207 -4.547 297 3HG2 THR 39 3HG2 THR 39 -1.716 -18.784 -5.142 298 H ILE 40 H ILE 40 0.561 -17.599 -6.657 299 HA ILE 40 HA ILE 40 1.319 -14.943 -5.725 300 HB ILE 40 HB ILE 40 2.966 -17.477 -5.587 301 1HG1 ILE 40 2HG1 ILE 40 1.154 -16.270 -3.482 302 2HG1 ILE 40 1HG1 ILE 40 0.817 -17.739 -4.391 303 1HG2 ILE 40 1HG2 ILE 40 4.188 -16.286 -3.829 304 2HG2 ILE 40 2HG2 ILE 40 3.164 -14.871 -4.076 305 3HG2 ILE 40 3HG2 ILE 40 4.247 -15.409 -5.360 306 1HD1 ILE 40 1HD1 ILE 40 2.724 -18.831 -3.364 307 2HD1 ILE 40 2HD1 ILE 40 1.623 -18.208 -2.138 308 3HD1 ILE 40 3HD1 ILE 40 3.121 -17.349 -2.494 309 H LYS 41 H LYS 41 1.310 -14.048 -7.879 310 HA LYS 41 HA LYS 41 3.932 -13.935 -8.943 311 1HB LYS 41 2HB LYS 41 3.300 -16.030 -10.009 312 2HB LYS 41 1HB LYS 41 1.858 -15.287 -10.681 313 1HG LYS 41 2HG LYS 41 3.168 -13.893 -12.117 314 2HG LYS 41 1HG LYS 41 4.663 -14.422 -11.342 315 1HD LYS 41 2HD LYS 41 4.382 -15.583 -13.446 316 2HD LYS 41 1HD LYS 41 4.217 -16.724 -12.111 317 1HE LYS 41 2HE LYS 41 2.494 -17.257 -13.626 318 2HE LYS 41 1HE LYS 41 1.714 -16.380 -12.311 319 1HZ LYS 41 1HZ LYS 41 0.879 -15.578 -14.384 320 2HZ LYS 41 2HZ LYS 41 2.440 -15.317 -14.987 321 3HZ LYS 41 3HZ LYS 41 1.852 -14.358 -13.715 322 HA PRO 42 HA PRO 42 1.334 -11.039 -11.718 323 1HB PRO 42 2HB PRO 42 -1.360 -10.892 -11.394 324 2HB PRO 42 1HB PRO 42 -0.578 -12.006 -12.520 325 1HG PRO 42 2HG PRO 42 -1.645 -12.527 -9.774 326 2HG PRO 42 1HG PRO 42 -1.787 -13.518 -11.238 327 1HD PRO 42 2HD PRO 42 0.006 -14.061 -9.290 328 2HD PRO 42 1HD PRO 42 0.328 -14.397 -11.001 329 H ALA 43 H ALA 43 -0.349 -11.393 -8.595 330 HA ALA 43 HA ALA 43 -0.895 -8.674 -8.197 331 1HB ALA 43 1HB ALA 43 -0.473 -10.822 -6.121 332 2HB ALA 43 2HB ALA 43 -1.995 -10.452 -6.931 333 3HB ALA 43 3HB ALA 43 -1.255 -9.266 -5.857 334 H VAL 44 H VAL 44 1.889 -10.644 -7.362 335 HA VAL 44 HA VAL 44 3.238 -8.789 -5.744 336 HB VAL 44 HB VAL 44 4.483 -10.905 -7.513 337 1HG1 VAL 44 1HG1 VAL 44 6.295 -10.872 -5.850 338 2HG1 VAL 44 2HG1 VAL 44 5.492 -9.538 -5.018 339 3HG1 VAL 44 3HG1 VAL 44 6.109 -9.315 -6.656 340 1HG2 VAL 44 1HG2 VAL 44 3.461 -11.093 -4.679 341 2HG2 VAL 44 2HG2 VAL 44 4.377 -12.345 -5.519 342 3HG2 VAL 44 3HG2 VAL 44 2.773 -11.891 -6.098 343 H GLU 45 H GLU 45 3.489 -9.463 -9.221 344 HA GLU 45 HA GLU 45 5.512 -7.614 -9.792 345 1HB GLU 45 2HB GLU 45 3.312 -8.701 -11.549 346 2HB GLU 45 1HB GLU 45 4.729 -7.844 -12.128 347 1HG GLU 45 2HG GLU 45 6.165 -9.607 -11.201 348 2HG GLU 45 1HG GLU 45 4.727 -10.463 -10.649 349 H GLU 46 H GLU 46 1.970 -7.293 -9.973 350 HA GLU 46 HA GLU 46 1.810 -4.680 -10.884 351 1HB GLU 46 2HB GLU 46 0.045 -6.316 -9.074 352 2HB GLU 46 1HB GLU 46 -0.380 -4.709 -9.592 353 1HG GLU 46 2HG GLU 46 0.213 -6.936 -11.502 354 2HG GLU 46 1HG GLU 46 -1.406 -6.568 -10.906 355 H ASN 47 H ASN 47 1.869 -5.894 -7.544 356 HA ASN 47 HA ASN 47 1.686 -3.327 -6.355 357 1HB ASN 47 2HB ASN 47 2.451 -6.034 -5.283 358 2HB ASN 47 1HB ASN 47 2.503 -4.597 -4.269 359 1HD2 ASN 47 1HD2 ASN 47 0.115 -5.021 -6.778 360 2HD2 ASN 47 2HD2 ASN 47 -1.231 -5.260 -5.724 361 H ASP 48 H ASP 48 4.386 -5.341 -7.304 362 HA ASP 48 HA ASP 48 6.484 -4.061 -6.025 363 1HB ASP 48 2HB ASP 48 6.791 -6.121 -7.279 364 2HB ASP 48 1HB ASP 48 6.405 -5.299 -8.785 365 H GLU 49 H GLU 49 5.265 -3.363 -9.323 366 HA GLU 49 HA GLU 49 6.812 -0.971 -9.517 367 1HB GLU 49 2HB GLU 49 4.538 -2.042 -11.171 368 2HB GLU 49 1HB GLU 49 5.326 -0.508 -11.514 369 1HG GLU 49 2HG GLU 49 7.500 -1.924 -11.502 370 2HG GLU 49 1HG GLU 49 6.398 -3.279 -11.750 371 H LEU 50 H LEU 50 3.556 -1.724 -8.485 372 HA LEU 50 HA LEU 50 2.412 0.819 -8.512 373 1HB LEU 50 2HB LEU 50 1.379 -1.466 -7.896 374 2HB LEU 50 1HB LEU 50 1.965 -1.144 -6.278 375 HG LEU 50 HG LEU 50 0.617 0.990 -6.321 376 1HD1 LEU 50 1HD1 LEU 50 -0.562 -0.305 -8.777 377 2HD1 LEU 50 2HD1 LEU 50 0.378 1.188 -8.737 378 3HD1 LEU 50 3HD1 LEU 50 -1.202 1.121 -7.955 379 1HD2 LEU 50 1HD2 LEU 50 -0.130 -1.002 -5.129 380 2HD2 LEU 50 2HD2 LEU 50 -0.871 -1.620 -6.606 381 3HD2 LEU 50 3HD2 LEU 50 -1.498 -0.154 -5.854 382 H ALA 51 H ALA 51 4.184 -0.809 -5.913 383 HA ALA 51 HA ALA 51 4.171 1.417 -4.153 384 1HB ALA 51 1HB ALA 51 6.004 -0.975 -4.189 385 2HB ALA 51 2HB ALA 51 4.453 -0.868 -3.355 386 3HB ALA 51 3HB ALA 51 5.799 0.154 -2.852 387 H ALA 52 H ALA 52 6.451 0.280 -6.594 388 HA ALA 52 HA ALA 52 8.585 2.018 -5.937 389 1HB ALA 52 1HB ALA 52 9.469 1.494 -8.127 390 2HB ALA 52 2HB ALA 52 7.906 0.854 -8.636 391 3HB ALA 52 3HB ALA 52 8.827 0.033 -7.375 392 H ARG 53 H ARG 53 5.999 2.296 -8.357 393 HA ARG 53 HA ARG 53 6.620 4.833 -9.363 394 1HB ARG 53 2HB ARG 53 4.546 2.905 -9.587 395 2HB ARG 53 1HB ARG 53 3.781 4.443 -9.234 396 1HG ARG 53 2HG ARG 53 5.738 4.000 -11.472 397 2HG ARG 53 1HG ARG 53 3.988 3.917 -11.645 398 1HD ARG 53 2HD ARG 53 3.973 6.284 -10.655 399 2HD ARG 53 1HD ARG 53 5.702 6.298 -11.014 400 HE ARG 53 HE ARG 53 4.698 5.553 -13.363 401 1HH1 ARG 53 1HH1 ARG 53 3.890 8.211 -11.228 402 2HH1 ARG 53 2HH1 ARG 53 3.096 9.129 -12.478 403 1HH2 ARG 53 1HH2 ARG 53 3.668 6.765 -14.995 404 2HH2 ARG 53 2HH2 ARG 53 2.969 8.315 -14.615 405 H TRP 54 H TRP 54 4.524 3.839 -6.697 406 HA TRP 54 HA TRP 54 3.591 6.365 -5.935 407 1HB TRP 54 2HB TRP 54 2.626 4.243 -5.144 408 2HB TRP 54 1HB TRP 54 4.088 3.921 -4.221 409 HD1 TRP 54 HD TRP 54 1.213 6.512 -4.321 410 HE1 TRP 54 1HE TRP 54 0.827 7.356 -1.923 411 HE3 TRP 54 3HE TRP 54 5.028 4.044 -1.980 412 HZ2 TRP 54 2HZ TRP 54 1.991 7.004 0.639 413 HZ3 TRP 54 3HZ TRP 54 5.322 4.347 0.443 414 HH2 TRP 54 HH TRP 54 3.836 5.797 1.724 415 H ALA 55 H ALA 55 6.369 4.489 -4.718 416 HA ALA 55 HA ALA 55 7.256 6.386 -2.863 417 1HB ALA 55 1HB ALA 55 9.379 5.218 -2.898 418 2HB ALA 55 2HB ALA 55 8.934 4.411 -4.402 419 3HB ALA 55 3HB ALA 55 8.045 4.063 -2.918 420 H GLU 56 H GLU 56 8.053 5.985 -6.296 421 HA GLU 56 HA GLU 56 9.996 7.961 -6.513 422 1HB GLU 56 2HB GLU 56 8.008 6.738 -8.399 423 2HB GLU 56 1HB GLU 56 9.040 8.040 -8.930 424 1HG GLU 56 2HG GLU 56 11.014 6.667 -8.268 425 2HG GLU 56 1HG GLU 56 9.898 5.348 -7.918 426 H GLY 57 H GLY 57 6.467 8.156 -6.912 427 1HA GLY 57 2HA GLY 57 6.439 10.939 -7.512 428 2HA GLY 57 1HA GLY 57 5.055 9.974 -7.020 429 H ALA 58 H ALA 58 6.136 9.098 -4.524 430 HA ALA 58 HA ALA 58 5.402 11.271 -2.871 431 1HB ALA 58 1HB ALA 58 5.077 8.931 -2.232 432 2HB ALA 58 2HB ALA 58 5.995 9.822 -1.014 433 3HB ALA 58 3HB ALA 58 6.824 8.724 -2.119 434 H LEU 59 H LEU 59 8.534 9.858 -3.721 435 HA LEU 59 HA LEU 59 10.123 11.488 -2.088 436 1HB LEU 59 2HB LEU 59 10.601 9.944 -4.619 437 2HB LEU 59 1HB LEU 59 11.867 10.879 -3.874 438 HG LEU 59 HG LEU 59 10.379 8.627 -2.524 439 1HD1 LEU 59 1HD1 LEU 59 12.456 7.361 -2.758 440 2HD1 LEU 59 2HD1 LEU 59 13.160 8.687 -3.686 441 3HD1 LEU 59 3HD1 LEU 59 11.781 7.795 -4.331 442 1HD2 LEU 59 1HD2 LEU 59 11.190 10.317 -0.963 443 2HD2 LEU 59 2HD2 LEU 59 12.807 10.188 -1.656 444 3HD2 LEU 59 3HD2 LEU 59 12.100 8.814 -0.805 445 H GLU 60 H GLU 60 8.873 11.888 -5.348 446 HA GLU 60 HA GLU 60 10.055 14.371 -5.950 447 1HB GLU 60 2HB GLU 60 8.872 12.935 -7.588 448 2HB GLU 60 1HB GLU 60 7.352 13.284 -6.780 449 1HG GLU 60 2HG GLU 60 7.480 14.632 -8.730 450 2HG GLU 60 1HG GLU 60 7.677 15.683 -7.330 451 H LEU 61 H LEU 61 7.026 13.508 -4.349 452 HA LEU 61 HA LEU 61 5.959 16.072 -4.074 453 1HB LEU 61 2HB LEU 61 4.752 13.907 -3.792 454 2HB LEU 61 1HB LEU 61 5.541 13.711 -2.242 455 HG LEU 61 HG LEU 61 3.875 16.151 -2.761 456 1HD1 LEU 61 1HD1 LEU 61 1.924 14.952 -1.886 457 2HD1 LEU 61 2HD1 LEU 61 2.838 13.444 -1.929 458 3HD1 LEU 61 3HD1 LEU 61 2.462 14.292 -3.430 459 1HD2 LEU 61 1HD2 LEU 61 3.484 16.001 -0.354 460 2HD2 LEU 61 2HD2 LEU 61 5.207 16.067 -0.717 461 3HD2 LEU 61 3HD2 LEU 61 4.455 14.532 -0.281 462 H ILE 62 H ILE 62 7.966 14.185 -1.803 463 HA ILE 62 HA ILE 62 7.824 16.196 0.227 464 HB ILE 62 HB ILE 62 9.517 14.899 1.425 465 1HG1 ILE 62 2HG1 ILE 62 9.584 13.145 -1.042 466 2HG1 ILE 62 1HG1 ILE 62 10.877 14.224 -0.526 467 1HG2 ILE 62 1HG2 ILE 62 8.226 12.830 1.677 468 2HG2 ILE 62 2HG2 ILE 62 7.360 13.195 0.184 469 3HG2 ILE 62 3HG2 ILE 62 7.180 14.247 1.586 470 1HD1 ILE 62 1HD1 ILE 62 11.124 12.910 1.533 471 2HD1 ILE 62 2HD1 ILE 62 11.381 11.941 0.082 472 3HD1 ILE 62 3HD1 ILE 62 9.860 11.817 0.969 473 H LYS 63 H LYS 63 9.587 16.034 -2.624 474 HA LYS 63 HA LYS 63 11.879 17.522 -1.683 475 1HB LYS 63 2HB LYS 63 11.973 15.926 -3.619 476 2HB LYS 63 1HB LYS 63 10.961 17.034 -4.530 477 1HG LYS 63 2HG LYS 63 13.585 17.920 -3.380 478 2HG LYS 63 1HG LYS 63 13.496 17.081 -4.927 479 1HD LYS 63 2HD LYS 63 11.959 18.826 -5.753 480 2HD LYS 63 1HD LYS 63 12.116 19.672 -4.214 481 1HE LYS 63 2HE LYS 63 14.362 19.088 -6.142 482 2HE LYS 63 1HE LYS 63 13.554 20.642 -5.951 483 1HZ LYS 63 1HZ LYS 63 15.557 20.715 -4.721 484 2HZ LYS 63 2HZ LYS 63 15.252 19.232 -3.973 485 3HZ LYS 63 3HZ LYS 63 14.305 20.585 -3.581 486 H VAL 64 H VAL 64 8.965 18.132 -3.589 487 HA VAL 64 HA VAL 64 9.545 20.965 -3.768 488 HB VAL 64 HB VAL 64 7.113 19.425 -4.678 489 1HG1 VAL 64 1HG1 VAL 64 6.645 21.796 -4.402 490 2HG1 VAL 64 2HG1 VAL 64 6.682 21.370 -6.115 491 3HG1 VAL 64 3HG1 VAL 64 8.053 22.204 -5.382 492 1HG2 VAL 64 1HG2 VAL 64 9.119 18.630 -5.779 493 2HG2 VAL 64 2HG2 VAL 64 9.565 20.282 -6.205 494 3HG2 VAL 64 3HG2 VAL 64 8.125 19.549 -6.911 495 H ARG 65 H ARG 65 7.207 18.867 -2.167 496 HA ARG 65 HA ARG 65 5.961 21.182 -0.865 497 1HB ARG 65 2HB ARG 65 4.494 19.622 -2.107 498 2HB ARG 65 1HB ARG 65 5.044 18.303 -1.086 499 1HG ARG 65 2HG ARG 65 3.151 18.759 0.027 500 2HG ARG 65 1HG ARG 65 4.156 19.982 0.802 501 1HD ARG 65 2HD ARG 65 2.341 20.416 -1.567 502 2HD ARG 65 1HD ARG 65 2.007 20.902 0.093 503 HE ARG 65 HE ARG 65 4.255 22.005 -1.479 504 1HH1 ARG 65 1HH1 ARG 65 1.527 22.394 0.694 505 2HH1 ARG 65 2HH1 ARG 65 1.769 24.111 0.879 506 1HH2 ARG 65 1HH2 ARG 65 4.536 24.251 -1.284 507 2HH2 ARG 65 2HH2 ARG 65 3.441 25.179 -0.295 508 H ARG 66 H ARG 66 5.996 21.427 1.335 509 HA ARG 66 HA ARG 66 7.771 19.925 2.957 510 1HB ARG 66 2HB ARG 66 5.572 21.881 3.602 511 2HB ARG 66 1HB ARG 66 6.509 21.090 4.858 512 1HG ARG 66 2HG ARG 66 8.556 22.079 3.946 513 2HG ARG 66 1HG ARG 66 7.595 22.890 2.703 514 1HD ARG 66 2HD ARG 66 6.397 24.137 4.368 515 2HD ARG 66 1HD ARG 66 7.165 23.229 5.665 516 HE ARG 66 HE ARG 66 9.234 24.398 4.296 517 1HH1 ARG 66 1HH1 ARG 66 6.314 25.531 5.863 518 2HH1 ARG 66 2HH1 ARG 66 7.027 27.019 6.415 519 1HH2 ARG 66 1HH2 ARG 66 10.179 26.383 4.989 520 2HH2 ARG 66 2HH2 ARG 66 9.212 27.518 5.879 521 HA PRO 67 HA PRO 67 4.941 16.531 3.760 522 1HB PRO 67 2HB PRO 67 7.099 15.421 5.353 523 2HB PRO 67 1HB PRO 67 6.435 14.828 3.830 524 1HG PRO 67 2HG PRO 67 8.935 15.883 4.065 525 2HG PRO 67 1HG PRO 67 7.984 15.950 2.571 526 1HD PRO 67 2HD PRO 67 8.423 18.068 4.638 527 2HD PRO 67 1HD PRO 67 8.367 18.213 2.868 528 H LYS 68 H LYS 68 3.431 17.142 5.211 529 HA LYS 68 HA LYS 68 4.335 17.880 7.914 530 1HB LYS 68 2HB LYS 68 2.029 19.015 8.026 531 2HB LYS 68 1HB LYS 68 3.284 19.775 7.057 532 1HG LYS 68 2HG LYS 68 2.278 18.659 5.050 533 2HG LYS 68 1HG LYS 68 0.938 18.164 6.087 534 1HD LYS 68 2HD LYS 68 0.313 20.416 6.501 535 2HD LYS 68 1HD LYS 68 1.802 21.032 5.783 536 1HE LYS 68 2HE LYS 68 -0.452 19.635 4.344 537 2HE LYS 68 1HE LYS 68 -0.046 21.348 4.252 538 1HZ LYS 68 1HZ LYS 68 2.200 20.539 3.413 539 2HZ LYS 68 2HZ LYS 68 0.889 20.423 2.350 540 3HZ LYS 68 3HZ LYS 68 1.451 19.035 3.164 541 H TYR 69 H TYR 69 1.956 15.972 6.120 542 HA TYR 69 HA TYR 69 1.191 14.688 8.651 543 1HB TYR 69 2HB TYR 69 -0.104 14.539 5.913 544 2HB TYR 69 1HB TYR 69 -0.658 13.657 7.334 545 HD1 TYR 69 1HD TYR 69 -0.890 16.702 5.498 546 HD2 TYR 69 2HD TYR 69 -1.333 15.047 9.387 547 HE1 TYR 69 1HE TYR 69 -2.257 18.635 6.156 548 HE2 TYR 69 2HE TYR 69 -2.701 16.975 10.060 549 HH TYR 69 HH TYR 69 -4.120 19.042 7.985 550 H VAL 70 H VAL 70 2.446 14.072 5.426 551 HA VAL 70 HA VAL 70 3.181 11.352 6.182 552 HB VAL 70 HB VAL 70 2.287 11.828 3.905 553 1HG1 VAL 70 1HG1 VAL 70 3.245 14.003 3.503 554 2HG1 VAL 70 2HG1 VAL 70 3.765 12.884 2.245 555 3HG1 VAL 70 3HG1 VAL 70 4.875 13.327 3.541 556 1HG2 VAL 70 1HG2 VAL 70 3.621 9.840 4.280 557 2HG2 VAL 70 2HG2 VAL 70 5.102 10.752 3.989 558 3HG2 VAL 70 3HG2 VAL 70 3.949 10.501 2.678 559 H HIS 71 H HIS 71 5.462 10.658 5.940 560 HA HIS 71 HA HIS 71 7.407 12.831 6.197 561 1HB HIS 71 2HB HIS 71 7.122 10.507 8.112 562 2HB HIS 71 1HB HIS 71 8.553 11.532 8.030 563 HD1 HIS 71 1HD HIS 71 4.984 11.510 9.142 564 HD2 HIS 71 2HD HIS 71 8.246 14.093 9.157 565 HE1 HIS 71 1HE HIS 71 4.346 13.400 10.678 566 HE2 HIS 71 2HE HIS 71 6.298 14.999 10.611 567 H LYS 72 H LYS 72 9.626 12.127 5.856 568 HA LYS 72 HA LYS 72 9.909 10.682 3.483 569 1HB LYS 72 2HB LYS 72 11.472 12.424 4.334 570 2HB LYS 72 1HB LYS 72 12.041 11.290 5.547 571 1HG LYS 72 2HG LYS 72 12.206 10.554 2.660 572 2HG LYS 72 1HG LYS 72 13.383 11.676 3.342 573 1HD LYS 72 2HD LYS 72 13.879 9.965 5.098 574 2HD LYS 72 1HD LYS 72 12.827 8.846 4.228 575 1HE LYS 72 2HE LYS 72 14.252 9.043 2.251 576 2HE LYS 72 1HE LYS 72 15.295 10.173 3.111 577 1HZ LYS 72 1HZ LYS 72 15.725 8.371 4.740 578 2HZ LYS 72 2HZ LYS 72 16.285 8.022 3.179 579 3HZ LYS 72 3HZ LYS 72 14.862 7.300 3.746 580 H GLU 73 H GLU 73 10.703 9.711 6.806 581 HA GLU 73 HA GLU 73 11.699 7.163 6.273 582 1HB GLU 73 2HB GLU 73 11.918 8.219 8.446 583 2HB GLU 73 1HB GLU 73 10.176 8.207 8.666 584 1HG GLU 73 2HG GLU 73 10.223 5.746 8.689 585 2HG GLU 73 1HG GLU 73 11.979 5.803 8.548 586 H GLN 74 H GLN 74 8.386 8.270 6.685 587 HA GLN 74 HA GLN 74 7.177 5.750 6.921 588 1HB GLN 74 2HB GLN 74 6.146 8.445 6.087 589 2HB GLN 74 1HB GLN 74 5.108 7.029 6.106 590 1HG GLN 74 2HG GLN 74 5.494 6.739 8.480 591 2HG GLN 74 1HG GLN 74 6.615 8.100 8.481 592 1HE2 GLN 74 1HE2 GLN 74 3.265 7.138 8.208 593 2HE2 GLN 74 2HE2 GLN 74 2.597 8.707 8.507 594 H ILE 75 H ILE 75 8.092 7.630 4.103 595 HA ILE 75 HA ILE 75 6.519 6.238 2.225 596 HB ILE 75 HB ILE 75 9.147 7.667 1.811 597 1HG1 ILE 75 2HG1 ILE 75 7.462 9.167 2.696 598 2HG1 ILE 75 1HG1 ILE 75 7.690 9.520 0.985 599 1HG2 ILE 75 1HG2 ILE 75 8.721 6.140 -0.023 600 2HG2 ILE 75 2HG2 ILE 75 8.496 7.806 -0.555 601 3HG2 ILE 75 3HG2 ILE 75 7.094 6.791 -0.216 602 1HD1 ILE 75 1HD1 ILE 75 5.331 9.541 1.702 603 2HD1 ILE 75 2HD1 ILE 75 5.469 7.825 2.095 604 3HD1 ILE 75 3HD1 ILE 75 5.667 8.369 0.428 605 H GLU 76 H GLU 76 9.841 5.703 3.350 606 HA GLU 76 HA GLU 76 10.285 3.482 1.607 607 1HB GLU 76 2HB GLU 76 11.687 4.377 4.127 608 2HB GLU 76 1HB GLU 76 12.203 2.994 3.176 609 1HG GLU 76 2HG GLU 76 12.509 4.486 1.236 610 2HG GLU 76 1HG GLU 76 12.094 5.858 2.265 611 H ALA 77 H ALA 77 9.242 3.880 4.942 612 HA ALA 77 HA ALA 77 9.250 1.172 5.680 613 1HB ALA 77 1HB ALA 77 9.161 2.965 7.319 614 2HB ALA 77 2HB ALA 77 7.811 1.849 7.537 615 3HB ALA 77 3HB ALA 77 7.548 3.413 6.762 616 H VAL 78 H VAL 78 6.651 3.202 4.314 617 HA VAL 78 HA VAL 78 4.667 1.176 4.557 618 HB VAL 78 HB VAL 78 4.734 3.676 2.863 619 1HG1 VAL 78 1HG1 VAL 78 2.446 1.760 3.329 620 2HG1 VAL 78 2HG1 VAL 78 3.258 2.061 1.793 621 3HG1 VAL 78 3HG1 VAL 78 2.313 3.339 2.557 622 1HG2 VAL 78 1HG2 VAL 78 3.168 4.511 4.537 623 2HG2 VAL 78 2HG2 VAL 78 4.686 4.013 5.286 624 3HG2 VAL 78 3HG2 VAL 78 3.264 2.977 5.400 625 H LYS 79 H LYS 79 6.773 2.176 1.869 626 HA LYS 79 HA LYS 79 5.702 0.507 -0.098 627 1HB LYS 79 2HB LYS 79 7.404 2.217 -0.574 628 2HB LYS 79 1HB LYS 79 8.601 1.277 0.308 629 1HG LYS 79 2HG LYS 79 8.307 -0.559 -1.322 630 2HG LYS 79 1HG LYS 79 7.191 0.464 -2.227 631 1HD LYS 79 2HD LYS 79 8.990 2.104 -2.562 632 2HD LYS 79 1HD LYS 79 10.101 1.049 -1.684 633 1HE LYS 79 2HE LYS 79 9.683 -0.719 -3.367 634 2HE LYS 79 1HE LYS 79 8.678 0.416 -4.268 635 1HZ LYS 79 1HZ LYS 79 10.608 1.847 -4.552 636 2HZ LYS 79 2HZ LYS 79 10.923 0.296 -5.164 637 3HZ LYS 79 3HZ LYS 79 11.567 0.764 -3.665 638 H ASP 80 H ASP 80 8.162 -0.114 2.343 639 HA ASP 80 HA ASP 80 8.728 -2.781 1.578 640 1HB ASP 80 2HB ASP 80 10.247 -1.417 2.957 641 2HB ASP 80 1HB ASP 80 9.070 -1.432 4.265 642 H ASN 81 H ASN 81 6.691 -1.436 4.172 643 HA ASN 81 HA ASN 81 5.825 -3.936 5.160 644 1HB ASN 81 2HB ASN 81 4.887 -1.117 5.509 645 2HB ASN 81 1HB ASN 81 3.876 -2.434 6.090 646 1HD2 ASN 81 1HD2 ASN 81 6.869 -0.729 6.480 647 2HD2 ASN 81 2HD2 ASN 81 7.274 -1.391 8.030 648 H PHE 82 H PHE 82 4.635 -1.899 2.580 649 HA PHE 82 HA PHE 82 2.109 -3.125 2.263 650 1HB PHE 82 2HB PHE 82 2.743 -0.966 1.216 651 2HB PHE 82 1HB PHE 82 3.840 -1.825 0.143 652 HD1 PHE 82 1HD PHE 82 0.253 -1.949 1.182 653 HD2 PHE 82 2HD PHE 82 3.095 -2.276 -1.969 654 HE1 PHE 82 1HE PHE 82 -1.580 -2.238 -0.435 655 HE2 PHE 82 2HE PHE 82 1.266 -2.572 -3.588 656 HZ PHE 82 HZ PHE 82 -1.073 -2.549 -2.821 657 H LEU 83 H LEU 83 5.215 -3.696 0.617 658 HA LEU 83 HA LEU 83 4.343 -5.964 -0.833 659 1HB LEU 83 2HB LEU 83 7.085 -5.030 0.007 660 2HB LEU 83 1HB LEU 83 6.829 -6.443 -0.998 661 HG LEU 83 HG LEU 83 5.996 -3.630 -1.727 662 1HD1 LEU 83 1HD1 LEU 83 8.299 -5.304 -2.715 663 2HD1 LEU 83 2HD1 LEU 83 8.423 -3.885 -1.676 664 3HD1 LEU 83 3HD1 LEU 83 7.833 -3.718 -3.330 665 1HD2 LEU 83 1HD2 LEU 83 6.001 -6.180 -3.335 666 2HD2 LEU 83 2HD2 LEU 83 5.588 -4.575 -3.940 667 3HD2 LEU 83 3HD2 LEU 83 4.572 -5.347 -2.722 668 H GLU 84 H GLU 84 5.760 -5.534 2.348 669 HA GLU 84 HA GLU 84 6.204 -8.211 3.041 670 1HB GLU 84 2HB GLU 84 6.953 -6.207 4.342 671 2HB GLU 84 1HB GLU 84 5.290 -5.969 4.858 672 1HG GLU 84 2HG GLU 84 6.272 -7.056 6.648 673 2HG GLU 84 1HG GLU 84 5.440 -8.349 5.788 674 H LEU 85 H LEU 85 3.348 -6.144 3.550 675 HA LEU 85 HA LEU 85 1.706 -7.961 4.852 676 1HB LEU 85 2HB LEU 85 1.331 -5.486 4.450 677 2HB LEU 85 1HB LEU 85 0.767 -5.905 2.849 678 HG LEU 85 HG LEU 85 -0.545 -7.090 5.279 679 1HD1 LEU 85 1HD1 LEU 85 -1.199 -4.435 4.009 680 2HD1 LEU 85 2HD1 LEU 85 -0.509 -4.668 5.616 681 3HD1 LEU 85 3HD1 LEU 85 -2.138 -5.246 5.263 682 1HD2 LEU 85 1HD2 LEU 85 -2.479 -7.199 3.794 683 2HD2 LEU 85 2HD2 LEU 85 -1.096 -8.024 3.077 684 3HD2 LEU 85 3HD2 LEU 85 -1.554 -6.417 2.513 685 H VAL 86 H VAL 86 1.988 -7.324 1.370 686 HA VAL 86 HA VAL 86 0.100 -9.194 0.492 687 HB VAL 86 HB VAL 86 2.609 -8.293 -0.941 688 1HG1 VAL 86 1HG1 VAL 86 1.426 -8.889 -2.992 689 2HG1 VAL 86 2HG1 VAL 86 0.058 -9.469 -2.043 690 3HG1 VAL 86 3HG1 VAL 86 1.612 -10.295 -1.943 691 1HG2 VAL 86 1HG2 VAL 86 -0.190 -7.168 -0.977 692 2HG2 VAL 86 2HG2 VAL 86 1.137 -6.637 -2.010 693 3HG2 VAL 86 3HG2 VAL 86 1.233 -6.408 -0.264 694 H LEU 87 H LEU 87 3.581 -9.548 1.060 695 HA LEU 87 HA LEU 87 3.786 -12.202 0.116 696 1HB LEU 87 2HB LEU 87 5.717 -10.705 0.393 697 2HB LEU 87 1HB LEU 87 5.501 -10.746 2.131 698 HG LEU 87 HG LEU 87 5.979 -13.179 2.106 699 1HD1 LEU 87 1HD1 LEU 87 6.957 -14.173 0.101 700 2HD1 LEU 87 2HD1 LEU 87 6.615 -12.695 -0.800 701 3HD1 LEU 87 3HD1 LEU 87 5.286 -13.672 -0.170 702 1HD2 LEU 87 1HD2 LEU 87 8.083 -11.393 0.892 703 2HD2 LEU 87 2HD2 LEU 87 8.389 -12.957 1.647 704 3HD2 LEU 87 3HD2 LEU 87 7.755 -11.623 2.611 705 H GLN 88 H GLN 88 3.391 -10.878 3.393 706 HA GLN 88 HA GLN 88 3.422 -13.443 4.637 707 1HB GLN 88 2HB GLN 88 2.382 -10.825 5.733 708 2HB GLN 88 1HB GLN 88 2.739 -12.270 6.668 709 1HG GLN 88 2HG GLN 88 5.113 -12.067 5.858 710 2HG GLN 88 1HG GLN 88 4.671 -10.480 5.233 711 1HE2 GLN 88 1HE2 GLN 88 6.613 -11.111 7.257 712 2HE2 GLN 88 2HE2 GLN 88 6.113 -10.295 8.695 713 H SER 89 H SER 89 1.014 -11.693 2.966 714 HA SER 89 HA SER 89 -1.267 -12.774 4.266 715 1HB SER 89 2HB SER 89 -1.318 -10.773 2.776 716 2HB SER 89 1HB SER 89 -1.019 -11.828 1.397 717 HG SER 89 HG SER 89 -3.110 -12.687 2.918 718 H TYR 90 H TYR 90 0.849 -13.904 1.711 719 HA TYR 90 HA TYR 90 -0.853 -16.060 0.904 720 1HB TYR 90 2HB TYR 90 2.078 -15.546 0.385 721 2HB TYR 90 1HB TYR 90 1.155 -16.853 -0.345 722 HD1 TYR 90 1HD TYR 90 2.465 -13.749 -0.967 723 HD2 TYR 90 2HD TYR 90 -1.176 -15.898 -1.436 724 HE1 TYR 90 1HE TYR 90 1.828 -12.254 -2.810 725 HE2 TYR 90 2HE TYR 90 -1.823 -14.409 -3.281 726 HH TYR 90 HH TYR 90 -1.321 -12.169 -4.103 727 H VAL 91 H VAL 91 2.186 -15.900 2.756 728 HA VAL 91 HA VAL 91 2.021 -18.731 3.326 729 HB VAL 91 HB VAL 91 4.170 -18.397 4.532 730 1HG1 VAL 91 1HG1 VAL 91 4.040 -17.315 1.719 731 2HG1 VAL 91 2HG1 VAL 91 4.164 -19.011 2.184 732 3HG1 VAL 91 3HG1 VAL 91 5.496 -17.906 2.519 733 1HG2 VAL 91 1HG2 VAL 91 5.337 -16.247 4.299 734 2HG2 VAL 91 2HG2 VAL 91 3.866 -16.091 5.258 735 3HG2 VAL 91 3HG2 VAL 91 3.887 -15.545 3.583 736 H HIS 92 H HIS 92 1.508 -15.724 5.008 737 HA HIS 92 HA HIS 92 1.157 -15.190 7.191 738 1HB HIS 92 2HB HIS 92 -0.993 -16.201 8.049 739 2HB HIS 92 1HB HIS 92 -1.071 -15.389 6.496 740 HD1 HIS 92 1HD HIS 92 -1.244 -18.820 8.050 741 HD2 HIS 92 2HD HIS 92 -1.892 -16.959 4.382 742 HE1 HIS 92 1HE HIS 92 -2.378 -20.537 6.601 743 HE2 HIS 92 2HE HIS 92 -2.867 -19.357 4.425 744 H HIS 93 H HIS 93 3.135 -15.980 8.089 745 HA HIS 93 HA HIS 93 2.728 -18.327 9.799 746 1HB HIS 93 2HB HIS 93 5.164 -18.148 10.326 747 2HB HIS 93 1HB HIS 93 4.815 -18.483 8.639 748 HD1 HIS 93 1HD HIS 93 6.244 -15.864 10.904 749 HD2 HIS 93 2HD HIS 93 5.618 -16.507 6.840 750 HE1 HIS 93 1HE HIS 93 7.590 -14.101 9.718 751 HE2 HIS 93 2HE HIS 93 7.414 -14.700 7.275 752 H ILE 94 H ILE 94 2.204 -15.134 9.877 753 HA ILE 94 HA ILE 94 2.845 -14.770 12.695 754 HB ILE 94 HB ILE 94 1.865 -12.516 12.422 755 1HG1 ILE 94 2HG1 ILE 94 1.523 -13.315 9.518 756 2HG1 ILE 94 1HG1 ILE 94 0.210 -13.092 10.669 757 1HG2 ILE 94 1HG2 ILE 94 4.252 -12.886 12.019 758 2HG2 ILE 94 2HG2 ILE 94 3.617 -11.601 10.991 759 3HG2 ILE 94 3HG2 ILE 94 3.915 -13.202 10.316 760 1HD1 ILE 94 1HD1 ILE 94 0.794 -10.734 10.876 761 2HD1 ILE 94 2HD1 ILE 94 0.444 -11.174 9.205 762 3HD1 ILE 94 3HD1 ILE 94 2.115 -10.962 9.730 763 H HIS 95 H HIS 95 1.072 -14.176 14.210 764 HA HIS 95 HA HIS 95 -1.129 -15.989 13.753 765 1HB HIS 95 2HB HIS 95 0.077 -15.760 15.973 766 2HB HIS 95 1HB HIS 95 -0.762 -14.225 16.170 767 HD1 HIS 95 1HD HIS 95 -1.476 -16.045 18.324 768 HD2 HIS 95 2HD HIS 95 -3.355 -16.315 14.619 769 HE1 HIS 95 1HE HIS 95 -3.631 -17.273 18.736 770 HE2 HIS 95 2HE HIS 95 -4.682 -17.550 16.461 771 H LYS 96 H LYS 96 -1.118 -12.568 14.907 772 HA LYS 96 HA LYS 96 -3.253 -11.861 13.122 773 1HB LYS 96 2HB LYS 96 -4.144 -13.372 15.140 774 2HB LYS 96 1HB LYS 96 -4.151 -11.823 15.965 775 1HG LYS 96 2HG LYS 96 -5.512 -12.212 13.322 776 2HG LYS 96 1HG LYS 96 -6.303 -12.600 14.848 777 1HD LYS 96 2HD LYS 96 -5.921 -10.271 15.593 778 2HD LYS 96 1HD LYS 96 -5.233 -9.908 14.006 779 1HE LYS 96 2HE LYS 96 -7.332 -10.468 12.935 780 2HE LYS 96 1HE LYS 96 -8.027 -10.941 14.483 781 1HZ LYS 96 1HZ LYS 96 -8.746 -8.743 13.830 782 2HZ LYS 96 2HZ LYS 96 -7.141 -8.203 13.741 783 3HZ LYS 96 3HZ LYS 96 -7.805 -8.652 15.236 784 H LYS 97 H LYS 97 -1.584 -11.159 16.155 785 HA LYS 97 HA LYS 97 -2.470 -8.516 16.457 786 1HB LYS 97 2HB LYS 97 0.019 -9.864 17.503 787 2HB LYS 97 1HB LYS 97 -0.560 -8.292 18.038 788 1HG LYS 97 2HG LYS 97 -2.595 -9.292 18.884 789 2HG LYS 97 1HG LYS 97 -2.100 -10.871 18.273 790 1HD LYS 97 2HD LYS 97 -1.685 -10.697 20.664 791 2HD LYS 97 1HD LYS 97 -0.168 -10.844 19.778 792 1HE LYS 97 2HE LYS 97 -0.028 -9.170 21.566 793 2HE LYS 97 1HE LYS 97 0.204 -8.450 19.975 794 1HZ LYS 97 1HZ LYS 97 -2.043 -7.639 20.015 795 2HZ LYS 97 2HZ LYS 97 -1.252 -7.133 21.428 796 3HZ LYS 97 3HZ LYS 97 -2.352 -8.423 21.488 797 H ARG 98 H ARG 98 0.471 -9.799 14.925 798 HA ARG 98 HA ARG 98 1.666 -7.285 14.439 799 1HB ARG 98 2HB ARG 98 2.009 -9.911 12.987 800 2HB ARG 98 1HB ARG 98 3.014 -8.498 12.720 801 1HG ARG 98 2HG ARG 98 3.699 -8.591 15.098 802 2HG ARG 98 1HG ARG 98 2.772 -10.084 15.267 803 1HD ARG 98 2HD ARG 98 4.142 -11.081 13.459 804 2HD ARG 98 1HD ARG 98 5.112 -9.611 13.425 805 HE ARG 98 HE ARG 98 4.923 -10.993 15.982 806 1HH1 ARG 98 1HH1 ARG 98 6.769 -10.332 13.070 807 2HH1 ARG 98 2HH1 ARG 98 8.268 -10.932 13.730 808 1HH2 ARG 98 1HH2 ARG 98 6.900 -11.800 16.847 809 2HH2 ARG 98 2HH2 ARG 98 8.337 -11.765 15.870 810 H PHE 99 H PHE 99 -0.722 -9.137 12.677 811 HA PHE 99 HA PHE 99 -0.391 -7.893 10.170 812 1HB PHE 99 2HB PHE 99 -1.567 -10.069 10.560 813 2HB PHE 99 1HB PHE 99 -2.911 -9.167 11.252 814 HD1 PHE 99 1HD PHE 99 -4.565 -8.234 9.878 815 HD2 PHE 99 2HD PHE 99 -0.934 -9.639 8.161 816 HE1 PHE 99 1HE PHE 99 -5.521 -7.940 7.632 817 HE2 PHE 99 2HE PHE 99 -1.882 -9.344 5.908 818 HZ PHE 99 HZ PHE 99 -4.177 -8.494 5.643 819 H LYS 100 H LYS 100 -2.395 -7.112 12.967 820 HA LYS 100 HA LYS 100 -3.972 -5.118 11.763 821 1HB LYS 100 2HB LYS 100 -4.474 -6.073 13.986 822 2HB LYS 100 1HB LYS 100 -3.048 -5.281 14.640 823 1HG LYS 100 2HG LYS 100 -4.040 -3.091 14.021 824 2HG LYS 100 1HG LYS 100 -5.505 -3.941 13.527 825 1HD LYS 100 2HD LYS 100 -5.797 -4.787 15.792 826 2HD LYS 100 1HD LYS 100 -4.299 -4.001 16.294 827 1HE LYS 100 2HE LYS 100 -6.807 -2.640 15.316 828 2HE LYS 100 1HE LYS 100 -6.226 -2.687 16.978 829 1HZ LYS 100 1HZ LYS 100 -5.251 -1.109 14.708 830 2HZ LYS 100 2HZ LYS 100 -4.111 -1.620 15.854 831 3HZ LYS 100 3HZ LYS 100 -5.431 -0.670 16.337 832 H ASP 101 H ASP 101 -0.963 -4.874 13.626 833 HA ASP 101 HA ASP 101 -0.671 -2.093 13.531 834 1HB ASP 101 2HB ASP 101 0.647 -3.601 14.996 835 2HB ASP 101 1HB ASP 101 1.531 -4.173 13.589 836 H ILE 102 H ILE 102 0.633 -4.582 11.356 837 HA ILE 102 HA ILE 102 2.018 -2.904 9.608 838 HB ILE 102 HB ILE 102 0.556 -5.470 8.950 839 1HG1 ILE 102 2HG1 ILE 102 3.464 -4.961 9.627 840 2HG1 ILE 102 1HG1 ILE 102 2.282 -5.670 10.723 841 1HG2 ILE 102 1HG2 ILE 102 1.033 -4.160 6.939 842 2HG2 ILE 102 2HG2 ILE 102 2.048 -5.602 7.011 843 3HG2 ILE 102 3HG2 ILE 102 2.727 -4.026 7.422 844 1HD1 ILE 102 1HD1 ILE 102 3.242 -6.852 8.124 845 2HD1 ILE 102 2HD1 ILE 102 2.017 -7.560 9.178 846 3HD1 ILE 102 3HD1 ILE 102 3.677 -7.386 9.749 847 H THR 103 H THR 103 -1.347 -4.053 9.413 848 HA THR 103 HA THR 103 -2.103 -2.661 7.108 849 HB THR 103 HB THR 103 -3.863 -3.304 9.489 850 HG1 THR 103 1HG THR 103 -2.877 -5.204 8.802 851 1HG2 THR 103 1HG2 THR 103 -5.664 -3.414 7.818 852 2HG2 THR 103 2HG2 THR 103 -4.525 -2.911 6.566 853 3HG2 THR 103 3HG2 THR 103 -4.933 -1.809 7.884 854 H GLU 104 H GLU 104 -2.233 -1.725 10.518 855 HA GLU 104 HA GLU 104 -3.515 0.747 10.228 856 1HB GLU 104 2HB GLU 104 -1.590 -0.311 12.300 857 2HB GLU 104 1HB GLU 104 -2.382 1.244 12.458 858 1HG GLU 104 2HG GLU 104 -3.910 -1.305 12.085 859 2HG GLU 104 1HG GLU 104 -3.420 -0.717 13.670 860 H SER 105 H SER 105 -0.037 -0.006 10.381 861 HA SER 105 HA SER 105 0.845 2.658 10.269 862 1HB SER 105 2HB SER 105 2.221 0.686 10.975 863 2HB SER 105 1HB SER 105 2.338 0.222 9.280 864 HG SER 105 HG SER 105 3.503 2.374 10.633 865 H VAL 106 H VAL 106 0.307 0.268 7.700 866 HA VAL 106 HA VAL 106 1.250 1.900 5.585 867 HB VAL 106 HB VAL 106 -0.702 -0.413 5.515 868 1HG1 VAL 106 1HG1 VAL 106 0.780 0.934 3.258 869 2HG1 VAL 106 2HG1 VAL 106 -0.962 0.955 3.526 870 3HG1 VAL 106 3HG1 VAL 106 -0.151 -0.558 3.121 871 1HG2 VAL 106 1HG2 VAL 106 1.243 -1.710 4.760 872 2HG2 VAL 106 2HG2 VAL 106 1.492 -1.033 6.369 873 3HG2 VAL 106 3HG2 VAL 106 2.265 -0.287 4.972 874 H LEU 107 H LEU 107 -2.081 1.112 6.601 875 HA LEU 107 HA LEU 107 -3.393 2.749 4.772 876 1HB LEU 107 2HB LEU 107 -4.094 1.437 7.326 877 2HB LEU 107 1HB LEU 107 -5.132 2.759 6.838 878 HG LEU 107 HG LEU 107 -6.034 0.613 6.108 879 1HD1 LEU 107 1HD1 LEU 107 -5.031 2.295 3.822 880 2HD1 LEU 107 2HD1 LEU 107 -6.502 2.571 4.755 881 3HD1 LEU 107 3HD1 LEU 107 -6.357 1.134 3.742 882 1HD2 LEU 107 1HD2 LEU 107 -3.510 0.344 4.486 883 2HD2 LEU 107 2HD2 LEU 107 -4.900 -0.739 4.430 884 3HD2 LEU 107 3HD2 LEU 107 -3.934 -0.619 5.901 885 H TYR 108 H TYR 108 -2.334 3.506 8.081 886 HA TYR 108 HA TYR 108 -3.474 6.042 8.298 887 1HB TYR 108 2HB TYR 108 -2.424 4.762 10.155 888 2HB TYR 108 1HB TYR 108 -0.844 5.126 9.473 889 HD1 TYR 108 1HD TYR 108 -3.935 6.869 10.656 890 HD2 TYR 108 2HD TYR 108 0.305 6.960 10.284 891 HE1 TYR 108 1HE TYR 108 -3.867 8.942 11.973 892 HE2 TYR 108 2HE TYR 108 0.380 9.036 11.599 893 HH TYR 108 HH TYR 108 -2.275 10.171 13.381 894 H THR 109 H THR 109 -0.291 5.092 7.053 895 HA THR 109 HA THR 109 0.544 7.744 6.485 896 HB THR 109 HB THR 109 1.555 5.197 5.211 897 HG1 THR 109 1HG THR 109 1.948 4.835 7.315 898 1HG2 THR 109 1HG2 THR 109 3.626 6.462 4.908 899 2HG2 THR 109 2HG2 THR 109 2.880 7.880 5.643 900 3HG2 THR 109 3HG2 THR 109 2.278 7.266 4.103 901 H LEU 110 H LEU 110 -1.049 5.213 4.581 902 HA LEU 110 HA LEU 110 -0.946 6.439 2.070 903 1HB LEU 110 2HB LEU 110 -3.118 4.701 3.243 904 2HB LEU 110 1HB LEU 110 -2.994 5.127 1.548 905 HG LEU 110 HG LEU 110 -1.017 3.476 3.119 906 1HD1 LEU 110 1HD1 LEU 110 -3.079 2.292 2.605 907 2HD1 LEU 110 2HD1 LEU 110 -1.741 1.668 1.639 908 3HD1 LEU 110 3HD1 LEU 110 -2.931 2.745 0.907 909 1HD2 LEU 110 1HD2 LEU 110 0.090 3.132 0.948 910 2HD2 LEU 110 2HD2 LEU 110 0.144 4.816 1.466 911 3HD2 LEU 110 3HD2 LEU 110 -0.998 4.313 0.220 912 H HIS 111 H HIS 111 -3.322 6.769 4.681 913 HA HIS 111 HA HIS 111 -5.028 8.555 3.300 914 1HB HIS 111 2HB HIS 111 -4.606 8.085 6.249 915 2HB HIS 111 1HB HIS 111 -5.788 9.229 5.631 916 HD1 HIS 111 1HD HIS 111 -7.666 8.071 3.982 917 HD2 HIS 111 2HD HIS 111 -5.529 5.569 6.523 918 HE1 HIS 111 1HE HIS 111 -9.046 5.980 4.198 919 HE2 HIS 111 2HE HIS 111 -7.880 4.645 5.993 920 H ALA 112 H ALA 112 -2.136 9.019 5.223 921 HA ALA 112 HA ALA 112 -2.343 11.817 5.555 922 1HB ALA 112 1HB ALA 112 0.147 10.113 5.475 923 2HB ALA 112 2HB ALA 112 -0.846 10.414 6.903 924 3HB ALA 112 3HB ALA 112 0.019 11.745 6.133 925 H VAL 113 H VAL 113 -0.843 9.803 3.065 926 HA VAL 113 HA VAL 113 0.298 12.002 1.632 927 HB VAL 113 HB VAL 113 -0.304 9.206 0.625 928 1HG1 VAL 113 1HG1 VAL 113 1.584 11.309 -0.433 929 2HG1 VAL 113 2HG1 VAL 113 0.067 10.807 -1.180 930 3HG1 VAL 113 3HG1 VAL 113 1.409 9.670 -1.059 931 1HG2 VAL 113 1HG2 VAL 113 1.135 9.112 2.570 932 2HG2 VAL 113 2HG2 VAL 113 2.202 10.330 1.867 933 3HG2 VAL 113 3HG2 VAL 113 2.062 8.740 1.114 934 H LYS 114 H LYS 114 -2.549 9.952 1.210 935 HA LYS 114 HA LYS 114 -3.515 11.086 -1.155 936 1HB LYS 114 2HB LYS 114 -4.245 8.936 -0.084 937 2HB LYS 114 1HB LYS 114 -5.134 9.883 1.095 938 1HG LYS 114 2HG LYS 114 -5.665 10.167 -1.844 939 2HG LYS 114 1HG LYS 114 -6.407 8.880 -0.896 940 1HD LYS 114 2HD LYS 114 -7.456 10.507 0.557 941 2HD LYS 114 1HD LYS 114 -6.636 11.827 -0.277 942 1HE LYS 114 2HE LYS 114 -8.921 11.672 -1.047 943 2HE LYS 114 1HE LYS 114 -7.822 11.221 -2.347 944 1HZ LYS 114 1HZ LYS 114 -9.710 9.727 -2.221 945 2HZ LYS 114 2HZ LYS 114 -9.325 9.322 -0.624 946 3HZ LYS 114 3HZ LYS 114 -8.275 8.890 -1.884 947 H ASP 115 H ASP 115 -4.089 11.939 2.233 948 HA ASP 115 HA ASP 115 -6.114 13.839 1.766 949 1HB ASP 115 2HB ASP 115 -5.676 12.847 3.983 950 2HB ASP 115 1HB ASP 115 -4.153 13.727 4.064 951 H GLU 116 H GLU 116 -2.591 14.260 2.201 952 HA GLU 116 HA GLU 116 -2.609 17.052 1.931 953 1HB GLU 116 2HB GLU 116 -0.427 15.044 1.373 954 2HB GLU 116 1HB GLU 116 -0.180 16.783 1.279 955 1HG GLU 116 2HG GLU 116 -1.131 16.769 3.702 956 2HG GLU 116 1HG GLU 116 -0.681 15.065 3.666 957 H ILE 117 H ILE 117 -2.137 14.505 -0.515 958 HA ILE 117 HA ILE 117 -1.736 16.167 -2.722 959 HB ILE 117 HB ILE 117 -3.141 13.492 -2.638 960 1HG1 ILE 117 2HG1 ILE 117 -0.280 14.188 -3.330 961 2HG1 ILE 117 1HG1 ILE 117 -0.808 13.495 -1.798 962 1HG2 ILE 117 1HG2 ILE 117 -2.019 15.020 -4.987 963 2HG2 ILE 117 2HG2 ILE 117 -3.716 14.645 -4.686 964 3HG2 ILE 117 3HG2 ILE 117 -2.575 13.348 -5.038 965 1HD1 ILE 117 1HD1 ILE 117 -1.017 12.197 -4.508 966 2HD1 ILE 117 2HD1 ILE 117 -1.587 11.501 -2.992 967 3HD1 ILE 117 3HD1 ILE 117 0.134 11.792 -3.234 968 H ALA 118 H ALA 118 -4.785 14.857 -1.432 969 HA ALA 118 HA ALA 118 -6.398 16.164 -3.401 970 1HB ALA 118 1HB ALA 118 -8.289 15.345 -2.105 971 2HB ALA 118 2HB ALA 118 -7.206 14.902 -0.785 972 3HB ALA 118 3HB ALA 118 -7.090 14.069 -2.338 973 H ARG 119 H ARG 119 -4.862 17.264 -0.614 974 HA ARG 119 HA ARG 119 -6.864 19.295 -0.017 975 1HB ARG 119 2HB ARG 119 -5.781 18.155 1.850 976 2HB ARG 119 1HB ARG 119 -4.203 18.689 1.287 977 1HG ARG 119 2HG ARG 119 -4.966 21.039 1.612 978 2HG ARG 119 1HG ARG 119 -6.440 20.400 2.342 979 1HD ARG 119 2HD ARG 119 -3.618 19.989 3.319 980 2HD ARG 119 1HD ARG 119 -4.850 21.006 4.063 981 HE ARG 119 HE ARG 119 -5.057 18.061 3.881 982 1HH1 ARG 119 1HH1 ARG 119 -5.570 21.078 5.585 983 2HH1 ARG 119 2HH1 ARG 119 -6.213 20.307 7.002 984 1HH2 ARG 119 1HH2 ARG 119 -5.875 17.050 5.733 985 2HH2 ARG 119 2HH2 ARG 119 -6.361 18.019 7.105 986 H GLU 120 H GLU 120 -3.419 19.156 -0.904 987 HA GLU 120 HA GLU 120 -3.094 21.947 -1.141 988 1HB GLU 120 2HB GLU 120 -1.472 19.816 -2.505 989 2HB GLU 120 1HB GLU 120 -0.963 21.457 -2.157 990 1HG GLU 120 2HG GLU 120 -1.672 19.453 -0.034 991 2HG GLU 120 1HG GLU 120 -0.039 19.683 -0.648 992 H ASP 121 H ASP 121 -3.432 19.443 -3.655 993 HA ASP 121 HA ASP 121 -5.194 20.967 -5.236 994 1HB ASP 121 2HB ASP 121 -3.061 22.251 -5.659 995 2HB ASP 121 1HB ASP 121 -2.407 20.795 -6.404 996 H SER 122 H SER 122 -6.396 19.239 -5.690 997 HA SER 122 HA SER 122 -5.107 16.731 -6.443 998 1HB SER 122 2HB SER 122 -7.530 15.890 -6.218 999 2HB SER 122 1HB SER 122 -6.706 16.408 -4.747 1000 HG SER 122 HG SER 122 -8.205 17.852 -4.507 1001 H ARG 123 H ARG 123 -7.833 18.722 -7.553 1002 HA ARG 123 HA ARG 123 -8.535 19.351 -9.611 1003 1HB ARG 123 2HB ARG 123 -5.966 18.076 -10.544 1004 2HB ARG 123 1HB ARG 123 -7.079 18.930 -11.603 1005 1HG ARG 123 2HG ARG 123 -6.755 20.962 -10.264 1006 2HG ARG 123 1HG ARG 123 -5.592 20.091 -9.262 1007 1HD ARG 123 2HD ARG 123 -4.138 19.761 -11.151 1008 2HD ARG 123 1HD ARG 123 -5.331 20.470 -12.242 1009 HE ARG 123 HE ARG 123 -4.118 22.041 -10.059 1010 1HH1 ARG 123 1HH1 ARG 123 -4.740 21.532 -13.467 1011 2HH1 ARG 123 2HH1 ARG 123 -4.289 23.143 -13.920 1012 1HH2 ARG 123 1HH2 ARG 123 -3.553 24.184 -10.654 1013 2HH2 ARG 123 2HH2 ARG 123 -3.626 24.656 -12.329