#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjr n VAL 2 N 0.00 0.03 -4.07 2.53 0.31 -1.26 -4.83 118.33 111.05 2jjr n VAL 2 Ca 0.00 -0.01 -0.14 0.00 -0.01 0.00 0.00 64.34 64.18 2jjr n VAL 2 Cb 0.00 -0.59 -0.14 0.00 -0.91 0.00 0.00 33.84 32.20 2jjr n VAL 2 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2jjr s SER 3 N 0.33 0.44 -0.03 4.52 0.01 -1.26 -1.39 113.70 116.32 2jjr s SER 3 Ca 0.86 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 58.05 2jjr s SER 3 Cb -1.04 -0.04 -0.00 0.00 0.21 0.00 0.00 66.02 65.15 2jjr s SER 3 CO 0.50 0.02 -0.15 0.12 0.41 0.00 0.00 173.24 174.14 2jjr s PHE 4 N -0.21 1.43 -0.08 2.43 5.36 0.86 -4.85 117.98 122.92 2jjr s PHE 4 Ca 0.00 -0.36 0.05 0.00 -0.96 0.00 0.00 56.93 55.66 2jjr s PHE 4 Cb -0.02 -0.96 -0.01 0.00 -0.34 0.00 0.00 43.02 41.69 2jjr s PHE 4 CO -0.00 -0.11 -0.24 1.03 -1.46 0.00 0.00 175.22 174.44 2jjr s ARG 5 N -0.04 2.79 0.23 10.12 0.52 -1.26 -1.28 118.95 130.03 2jjr s ARG 5 Ca -0.01 -0.88 0.06 0.00 -0.52 0.00 0.00 55.73 54.38 2jjr s ARG 5 Cb -0.09 -2.24 0.23 0.00 0.52 0.00 0.00 34.95 33.37 2jjr s ARG 5 CO 0.01 0.30 1.54 -0.07 0.02 0.00 0.00 175.30 177.10 2jjr h LEU 6 N 6.34 0.18 -9.39 2.53 -0.00 -1.24 -3.38 115.31 110.35 2jjr h LEU 6 Ca -0.26 -0.11 -0.54 0.00 -0.00 0.00 0.00 57.88 56.97 2jjr h LEU 6 Cb 1.20 -0.05 0.01 0.00 -0.00 0.00 0.00 40.66 41.82 2jjr h LEU 6 CO 0.47 0.79 1.04 -0.55 -0.00 0.00 0.00 178.44 180.19 2jjr s SER 7 N -6.88 6.61 0.00 -0.43 0.15 -1.26 -1.19 113.70 110.70 2jjr s SER 7 Ca -0.03 2.43 0.00 0.00 0.70 0.00 0.00 55.95 59.05 2jjr s SER 7 Cb 0.12 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2jjr s SER 7 CO 0.79 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2jjr n GLY 8 N 4.07 0.28 3.76 9.45 0.00 -1.26 -4.99 105.19 116.51 2jjr n GLY 8 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2jjr n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jjr s ALA 9 N -1.62 3.19 0.28 4.61 0.00 -0.34 -5.01 121.76 122.88 2jjr s ALA 9 Ca 0.00 1.39 0.03 0.00 0.00 0.00 0.00 51.96 53.38 2jjr s ALA 9 Cb 0.00 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 2jjr s ALA 9 CO 0.00 -1.12 0.05 0.95 0.00 0.00 0.00 175.76 175.64 2jjr s THR 10 N -1.23 0.98 0.26 0.00 -4.23 -1.26 -5.00 115.64 105.15 2jjr s THR 10 Ca 0.61 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 59.08 2jjr s THR 10 Cb -0.42 -2.64 0.27 0.00 1.34 0.00 0.00 72.50 71.04 2jjr s THR 10 CO 0.53 -0.08 1.67 0.28 -0.54 0.00 0.00 174.62 176.48 2jjr h SER 11 N 2.28 -0.02 -0.29 3.99 0.02 -1.88 -1.21 113.55 116.44 2jjr h SER 11 Ca -0.39 0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.68 2jjr h SER 11 Cb 1.24 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 2jjr h SER 11 CO 0.66 -0.09 0.00 0.28 -1.14 0.00 0.00 176.83 176.55 2jjr h SER 12 N 0.24 0.50 0.11 3.07 0.02 -1.96 -1.58 113.55 113.95 2jjr h SER 12 Ca 0.46 -0.30 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 2jjr h SER 12 Cb 0.84 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2jjr h SER 12 CO -0.57 0.68 -0.34 0.77 -1.14 0.00 0.00 176.83 176.23 2jjr h SER 13 N 0.31 0.33 -0.62 3.07 4.64 -1.87 0.11 113.55 119.52 2jjr h SER 13 Ca 0.08 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.19 2jjr h SER 13 Cb 0.42 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 2jjr h SER 13 CO 0.01 0.66 0.05 0.22 -0.87 0.00 0.00 176.83 176.90 2jjr h TYR 14 N 0.28 1.15 -0.45 4.77 3.20 -1.22 -2.11 116.97 122.59 2jjr h TYR 14 Ca 0.03 -0.18 0.05 0.00 3.14 0.00 0.00 58.73 61.77 2jjr h TYR 14 Cb 0.73 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 2jjr h TYR 14 CO 0.02 1.00 0.20 0.78 -1.64 0.00 0.00 178.16 178.51 2jjr h GLY 15 N 0.98 0.62 1.00 1.82 0.00 -0.59 -1.76 103.07 105.13 2jjr h GLY 15 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2jjr h GLY 15 CO 0.02 0.07 0.33 -2.08 0.00 0.00 0.00 176.54 174.88 2jjr h VAL 16 N 0.40 1.14 -0.01 4.60 2.07 -0.72 0.02 116.25 123.75 2jjr h VAL 16 Ca 0.20 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.47 2jjr h VAL 16 Cb 0.15 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2jjr h VAL 16 CO -0.17 0.14 -0.08 0.15 0.02 0.00 0.00 177.57 177.62 2jjr h PHE 17 N 0.69 -0.20 -0.67 1.57 3.57 -1.21 0.15 116.94 120.84 2jjr h PHE 17 Ca 0.19 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 2jjr h PHE 17 Cb -0.06 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 2jjr h PHE 17 CO -0.04 -0.12 0.13 0.82 -2.23 0.00 0.00 178.31 176.87 2jjr h ILE 18 N -0.14 1.26 -0.32 1.41 1.08 -1.18 0.28 117.51 119.91 2jjr h ILE 18 Ca 0.03 -1.01 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 2jjr h ILE 18 Cb 0.18 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 2jjr h ILE 18 CO -0.09 0.38 0.21 -1.28 -0.69 0.00 0.00 178.15 176.69 2jjr h SER 19 N 1.03 0.37 -0.29 1.72 0.87 -0.70 -1.51 113.55 115.04 2jjr h SER 19 Ca 0.21 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 2jjr h SER 19 Cb 0.41 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 2jjr h SER 19 CO 0.01 0.26 0.10 0.78 -0.53 0.00 0.00 176.83 177.46 2jjr h ASN 20 N 0.43 0.46 -0.18 6.23 -0.26 -0.44 -1.77 115.58 120.05 2jjr h ASN 20 Ca 0.12 -0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.79 2jjr h ASN 20 Cb -0.05 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 2jjr h ASN 20 CO -0.03 0.45 0.06 0.25 -1.06 0.00 0.00 177.43 177.10 2jjr h LEU 21 N 0.50 0.26 -0.29 1.61 5.85 -0.42 -1.94 115.31 120.87 2jjr h LEU 21 Ca 0.12 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.69 2jjr h LEU 21 Cb 0.16 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2jjr h LEU 21 CO -0.01 0.39 0.03 0.03 -0.34 0.00 0.00 178.44 178.55 2jjr h ARG 22 N 0.12 0.13 0.00 1.25 3.08 -1.09 -2.64 114.38 115.23 2jjr h ARG 22 Ca 0.06 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 2jjr h ARG 22 Cb 0.22 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 2jjr h ARG 22 CO -0.00 0.09 -0.02 0.87 -1.07 0.00 0.00 179.97 179.83 2jjr h LYS 23 N 0.13 0.00 0.00 0.04 1.57 -1.22 -1.45 116.57 115.65 2jjr h LYS 23 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2jjr h LYS 23 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2jjr h LYS 23 CO -0.20 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 178.70 2jjr n ALA 24 N -2.34 1.89 -2.67 3.86 0.00 -0.74 -4.73 120.51 115.77 2jjr n ALA 24 Ca -0.03 -0.01 -0.39 0.00 0.00 0.00 0.00 53.44 53.01 2jjr n ALA 24 Cb 0.11 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.12 2jjr n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jjr s LEU 25 N -3.78 4.16 0.45 0.00 1.43 -0.55 -5.03 118.68 115.37 2jjr s LEU 25 Ca 0.08 0.71 -0.24 0.00 -1.03 0.00 0.00 54.13 53.65 2jjr s LEU 25 Cb 0.12 -2.72 -0.07 0.00 0.03 0.00 0.00 46.19 43.54 2jjr s LEU 25 CO 0.41 -0.16 1.27 -2.84 0.23 0.00 0.00 176.35 175.26 2jjr s PRO 26 N 1.52 3.74 -0.14 1.29 0.02 -1.26 -5.03 135.00 135.14 2jjr s PRO 26 Ca 0.25 2.05 -0.18 0.00 0.02 0.00 0.00 61.00 63.14 2jjr s PRO 26 Cb -0.15 -2.55 0.05 0.00 0.02 0.00 0.00 34.50 31.86 2jjr s PRO 26 CO 0.10 -0.65 0.48 0.54 -0.33 0.00 0.00 177.00 177.14 2jjr s ASN 27 N -0.97 -0.47 -0.09 2.53 4.22 -1.26 -3.52 114.94 115.38 2jjr s ASN 27 Ca 0.62 0.82 0.19 0.00 -2.14 0.00 0.00 52.86 52.35 2jjr s ASN 27 Cb -0.36 0.84 -0.26 0.00 1.28 0.00 0.00 41.25 42.76 2jjr s ASN 27 CO 0.44 -0.25 0.37 -0.62 -2.04 0.00 0.00 177.10 175.00 2jjr n GLU 28 N 2.41 0.67 -4.38 3.55 1.02 -1.26 -5.00 120.64 117.64 2jjr n GLU 28 Ca -0.15 -0.03 -0.26 0.00 -0.02 0.00 0.00 57.16 56.70 2jjr n GLU 28 Cb 0.57 -1.58 -0.12 0.00 -0.02 0.00 0.00 31.44 30.28 2jjr n GLU 28 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jjr s ARG 29 N -2.93 1.39 -0.03 3.49 0.52 -1.26 -5.07 118.95 115.06 2jjr s ARG 29 Ca -0.08 -1.41 0.06 0.00 -0.52 0.00 0.00 55.73 53.78 2jjr s ARG 29 Cb 0.09 -1.71 -0.02 0.00 0.52 0.00 0.00 34.95 33.83 2jjr s ARG 29 CO 0.85 0.38 -0.21 0.15 0.02 0.00 0.00 175.30 176.50 2jjr s LYS 30 N -2.42 2.26 -0.14 3.54 1.02 -1.26 -1.05 119.74 121.69 2jjr s LYS 30 Ca 0.16 -0.84 0.02 0.00 0.02 0.00 0.00 55.97 55.33 2jjr s LYS 30 Cb -0.08 -2.19 0.01 0.00 -0.52 0.00 0.00 37.83 35.05 2jjr s LYS 30 CO 0.07 0.58 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.37 2jjr s LEU 31 N -0.74 2.05 -1.43 3.17 1.43 -0.43 -4.68 118.68 118.05 2jjr s LEU 31 Ca 0.11 -0.59 -0.10 0.00 -1.03 0.00 0.00 54.13 52.52 2jjr s LEU 31 Cb -0.10 -1.40 0.05 0.00 0.03 0.00 0.00 46.19 44.77 2jjr s LEU 31 CO 0.00 0.05 1.04 -1.22 0.23 0.00 0.00 176.35 176.45 2jjr n TYR 32 N 4.21 -2.48 -1.52 0.29 4.01 -1.26 -1.18 117.16 119.23 2jjr n TYR 32 Ca -0.20 0.94 -0.18 0.00 -0.16 0.00 0.00 57.90 58.30 2jjr n TYR 32 Cb 0.51 -4.46 -0.08 0.00 -0.31 0.00 0.00 39.34 35.00 2jjr n TYR 32 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2jjr n ASP 33 N -2.94 -5.35 -4.36 7.72 8.00 -1.26 -4.98 116.55 113.38 2jjr n ASP 33 Ca -0.02 0.45 -0.35 0.00 0.71 0.00 0.00 54.79 55.58 2jjr n ASP 33 Cb 0.56 -4.44 -0.13 0.00 -0.02 0.00 0.00 41.12 37.08 2jjr n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jjr s ILE 34 N -2.61 3.66 0.04 0.53 1.01 -0.32 -5.06 121.20 118.45 2jjr s ILE 34 Ca 0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 60.65 59.89 2jjr s ILE 34 Cb 0.00 -2.67 -0.16 0.00 0.01 0.00 0.00 42.46 39.64 2jjr s ILE 34 CO 0.00 0.41 1.49 -2.65 0.00 0.00 0.00 174.94 174.18 2jjr n PRO 35 N 4.72 1.45 -3.39 2.79 -0.02 -1.26 -1.31 135.00 137.98 2jjr n PRO 35 Ca -0.18 0.52 -0.39 0.00 -2.02 0.00 0.00 63.50 61.43 2jjr n PRO 35 Cb 0.51 -2.22 -0.09 0.00 -0.02 0.00 0.00 33.50 31.68 2jjr n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2jjr s LEU 36 N 1.23 4.12 0.75 2.45 2.96 -0.21 -0.79 118.68 129.19 2jjr s LEU 36 Ca 0.86 0.18 -0.11 0.00 -0.22 0.00 0.00 54.13 54.84 2jjr s LEU 36 Cb -0.89 -2.41 0.04 0.00 0.50 0.00 0.00 46.19 43.43 2jjr s LEU 36 CO 0.48 -0.22 1.08 -0.76 -1.32 0.00 0.00 176.35 175.60 2jjr s LEU 37 N 2.07 2.93 0.50 -0.68 1.43 -0.40 -4.11 118.68 120.42 2jjr s LEU 37 Ca 0.14 1.59 -0.20 0.00 -1.03 0.00 0.00 54.13 54.63 2jjr s LEU 37 Cb -0.16 -4.34 -0.08 0.00 0.03 0.00 0.00 46.19 41.65 2jjr s LEU 37 CO 0.10 -1.78 1.07 -0.13 0.23 0.00 0.00 176.35 175.84 2jjr s ARG 38 N -5.03 3.68 0.05 1.70 1.81 -1.23 -4.26 118.95 115.67 2jjr s ARG 38 Ca 0.60 1.46 -0.09 0.00 -1.72 0.00 0.00 55.73 55.98 2jjr s ARG 38 Cb -0.15 -2.10 -0.31 0.00 -0.45 0.00 0.00 34.95 31.94 2jjr s ARG 38 CO 0.55 -0.55 1.05 1.03 -0.68 0.00 0.00 175.30 176.70 2jjr h SER 39 N 1.51 0.60 -5.03 0.23 0.87 -1.93 -3.43 113.55 106.37 2jjr h SER 39 Ca -0.50 -0.66 -0.03 0.00 -1.23 0.00 0.00 61.79 59.38 2jjr h SER 39 Cb 1.23 -0.20 -0.12 0.00 -0.44 0.00 0.00 62.40 62.88 2jjr h SER 39 CO 0.59 1.52 0.11 -0.94 -0.53 0.00 0.00 176.83 177.57 2jjr s SER 40 N -7.32 -0.43 0.05 6.23 1.04 -1.26 -4.54 113.70 107.46 2jjr s SER 40 Ca -0.07 -0.15 -0.06 0.00 0.48 0.00 0.00 55.95 56.15 2jjr s SER 40 Cb 0.06 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 2jjr s SER 40 CO 0.91 -0.95 0.12 -0.76 0.98 0.00 0.00 173.24 173.54 2jjr s LEU 41 N -2.78 1.73 0.64 2.42 1.43 -1.26 -5.10 118.68 115.76 2jjr s LEU 41 Ca 0.02 -0.57 -0.18 0.00 -1.03 0.00 0.00 54.13 52.38 2jjr s LEU 41 Cb -0.00 0.70 -0.01 0.00 0.03 0.00 0.00 46.19 46.90 2jjr s LEU 41 CO -0.12 -0.56 1.22 -2.16 0.23 0.00 0.00 176.35 174.96 2jjr s PRO 42 N -2.94 2.67 0.37 1.29 0.04 -1.26 -4.73 135.00 130.43 2jjr s PRO 42 Ca -0.02 1.84 0.14 0.00 0.04 0.00 0.00 61.00 63.00 2jjr s PRO 42 Cb 0.01 -1.89 0.98 0.00 0.04 0.00 0.00 34.50 33.64 2jjr s PRO 42 CO -0.06 -1.45 1.78 0.78 0.04 0.00 0.00 177.00 178.09 2jjr h GLY 43 N 0.48 1.38 2.00 0.56 0.00 -2.01 0.29 103.07 105.78 2jjr h GLY 43 Ca -0.50 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.58 2jjr h GLY 43 CO 0.53 -0.11 0.00 1.48 0.00 0.00 0.00 176.54 178.44 2jjr h SER 44 N 0.51 0.00 0.00 0.19 4.64 -2.00 -2.99 113.55 113.91 2jjr h SER 44 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2jjr h SER 44 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2jjr h SER 44 CO -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.64 2jjr n GLN 45 N -2.52 -0.53 0.06 4.77 6.02 0.95 -4.82 117.38 121.31 2jjr n GLN 45 Ca -0.00 -0.47 0.13 0.00 -0.01 0.00 0.00 57.00 56.65 2jjr n GLN 45 Cb 0.15 -0.97 0.49 0.00 1.02 0.00 0.00 30.24 30.93 2jjr n GLN 45 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2jjr n ARG 46 N -0.06 0.16 -4.74 -1.09 0.63 -0.72 -4.87 116.66 105.97 2jjr n ARG 46 Ca 0.00 0.14 -0.24 0.00 -0.92 0.00 0.00 57.85 56.83 2jjr n ARG 46 Cb 0.00 -1.69 -0.15 0.00 0.45 0.00 0.00 32.46 31.07 2jjr n ARG 46 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2jjr s TYR 47 N -3.06 1.43 0.23 -0.14 2.02 -1.26 -0.64 117.35 115.94 2jjr s TYR 47 Ca 0.12 -0.30 0.11 0.00 -0.37 0.00 0.00 57.07 56.62 2jjr s TYR 47 Cb 0.15 -0.94 -0.05 0.00 -0.40 0.00 0.00 41.96 40.72 2jjr s TYR 47 CO 0.57 -0.05 -0.20 0.00 -1.57 0.00 0.00 175.55 174.30 2jjr s ALA 48 N -0.27 2.49 -0.12 3.71 0.00 -0.30 -4.91 121.76 122.35 2jjr s ALA 48 Ca 0.04 -1.74 0.02 0.00 0.00 0.00 0.00 51.96 50.28 2jjr s ALA 48 Cb -0.07 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2jjr s ALA 48 CO -0.00 0.27 -0.19 -0.51 0.00 0.00 0.00 175.76 175.33 2jjr s LEU 49 N -3.19 1.94 -0.11 0.00 1.43 -1.26 -0.96 118.68 116.53 2jjr s LEU 49 Ca 0.25 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 2jjr s LEU 49 Cb -0.05 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 2jjr s LEU 49 CO 0.11 0.06 -0.09 -0.63 0.23 0.00 0.00 176.35 176.04 2jjr s ILE 50 N 0.86 3.50 -0.15 -0.59 -1.09 0.48 -4.13 121.20 120.08 2jjr s ILE 50 Ca -0.07 -0.52 -0.06 0.00 -2.23 0.00 0.00 60.65 57.76 2jjr s ILE 50 Cb -0.15 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.22 2jjr s ILE 50 CO -0.01 0.54 0.06 -1.00 -1.23 0.00 0.00 174.94 173.30 2jjr s HIS 51 N -0.06 3.29 -0.06 3.97 3.76 -0.49 0.64 115.29 126.34 2jjr s HIS 51 Ca -0.00 0.17 0.02 0.00 -0.15 0.00 0.00 55.06 55.09 2jjr s HIS 51 Cb -0.14 -2.00 0.01 0.00 1.11 0.00 0.00 32.58 31.57 2jjr s HIS 51 CO 0.03 0.31 -0.12 -0.51 -0.85 0.00 0.00 174.74 173.61 2jjr s LEU 52 N -0.11 1.64 -0.10 0.89 1.02 -0.44 -0.10 118.68 121.47 2jjr s LEU 52 Ca 0.07 -0.28 0.03 0.00 0.02 0.00 0.00 54.13 53.97 2jjr s LEU 52 Cb -0.12 -0.78 0.00 0.00 0.02 0.00 0.00 46.19 45.31 2jjr s LEU 52 CO 0.01 0.03 -0.21 -0.89 0.02 0.00 0.00 176.35 175.31 2jjr s THR 53 N 0.63 1.84 0.96 5.49 2.01 -0.41 -0.89 115.64 125.28 2jjr s THR 53 Ca -0.13 -0.88 -0.15 0.00 0.31 0.00 0.00 61.69 60.83 2jjr s THR 53 Cb -0.15 -1.61 0.21 0.00 0.01 0.00 0.00 72.50 70.97 2jjr s THR 53 CO 0.03 0.51 1.31 0.54 -0.69 0.00 0.00 174.62 176.32 2jjr s ASN 54 N 0.47 3.00 0.60 3.53 2.20 -0.66 -0.85 114.94 123.23 2jjr s ASN 54 Ca -0.17 0.07 0.38 0.00 -0.94 0.00 0.00 52.86 52.21 2jjr s ASN 54 Cb -0.17 -0.06 1.82 0.00 -2.00 0.00 0.00 41.25 40.84 2jjr s ASN 54 CO 0.07 -2.79 2.15 1.88 -2.94 0.00 0.00 177.10 175.47 2jjr h TYR 55 N -1.61 0.00 -0.40 1.54 0.05 -1.90 -2.30 116.97 112.35 2jjr h TYR 55 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.35 2jjr h TYR 55 Cb 1.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.96 2jjr h TYR 55 CO -1.31 0.01 0.00 0.00 -1.05 0.00 0.00 178.16 175.81 2jjr n ALA 56 N -2.09 2.78 -1.24 3.88 0.00 -1.26 -4.91 120.51 117.67 2jjr n ALA 56 Ca -0.01 -0.91 -0.08 0.00 0.00 0.00 0.00 53.44 52.44 2jjr n ALA 56 Cb 0.21 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 2jjr n ALA 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jjr n ASP 57 N 0.62 -4.47 -4.69 0.00 8.00 -0.86 -5.00 116.55 110.14 2jjr n ASP 57 Ca 0.15 0.20 -0.38 0.00 0.71 0.00 0.00 54.79 55.48 2jjr n ASP 57 Cb 0.54 -2.69 -0.07 0.00 -0.02 0.00 0.00 41.12 38.88 2jjr n ASP 57 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2jjr s GLU 58 N -2.43 4.24 -0.06 -1.24 2.02 -1.26 -4.87 118.70 115.09 2jjr s GLU 58 Ca 0.00 0.29 0.03 0.00 0.02 0.00 0.00 54.97 55.31 2jjr s GLU 58 Cb 0.00 -3.50 -0.02 0.00 0.10 0.00 0.00 34.13 30.71 2jjr s GLU 58 CO 0.00 0.04 -0.13 0.99 0.02 0.00 0.00 175.26 176.17 2jjr s THR 59 N 1.05 3.12 0.05 3.63 2.01 -1.26 -1.66 115.64 122.59 2jjr s THR 59 Ca 0.21 -0.69 0.09 0.00 0.31 0.00 0.00 61.69 61.61 2jjr s THR 59 Cb -0.15 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 2jjr s THR 59 CO 0.08 0.58 -0.25 0.27 -0.69 0.00 0.00 174.62 174.61 2jjr s ILE 60 N -0.58 2.05 -0.20 1.82 -4.36 -0.06 -4.58 121.20 115.28 2jjr s ILE 60 Ca 0.08 -1.39 -0.05 0.00 -0.26 0.00 0.00 60.65 59.03 2jjr s ILE 60 Cb -0.11 -1.76 -0.03 0.00 1.25 0.00 0.00 42.46 41.81 2jjr s ILE 60 CO 0.01 0.30 0.00 -0.55 0.24 0.00 0.00 174.94 174.94 2jjr s SER 61 N -1.33 4.88 -0.15 4.36 0.15 -0.26 -1.33 113.70 120.02 2jjr s SER 61 Ca 0.11 -0.19 -0.01 0.00 0.70 0.00 0.00 55.95 56.56 2jjr s SER 61 Cb -0.10 -1.83 -0.01 0.00 -1.71 0.00 0.00 66.02 62.37 2jjr s SER 61 CO 0.02 0.07 -0.11 -0.69 1.20 0.00 0.00 173.24 173.73 2jjr s VAL 62 N 0.98 3.07 -0.24 4.45 1.01 0.21 0.31 120.40 130.17 2jjr s VAL 62 Ca 0.02 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 2jjr s VAL 62 Cb -0.14 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2jjr s VAL 62 CO 0.02 0.50 0.40 0.00 0.00 0.00 0.00 175.10 176.02 2jjr s ALA 63 N 0.66 3.57 0.03 5.51 0.00 0.09 -0.39 121.76 131.22 2jjr s ALA 63 Ca -0.06 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.26 2jjr s ALA 63 Cb -0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 2jjr s ALA 63 CO 0.02 -0.54 -0.13 0.96 0.00 0.00 0.00 175.76 176.08 2jjr s ILE 64 N 1.82 3.20 -0.20 0.00 -4.36 -0.13 -0.43 121.20 121.10 2jjr s ILE 64 Ca 0.17 -1.01 -0.29 0.00 -0.26 0.00 0.00 60.65 59.26 2jjr s ILE 64 Cb -0.15 -2.38 -0.01 0.00 1.25 0.00 0.00 42.46 41.17 2jjr s ILE 64 CO 0.09 0.35 1.26 -0.62 0.24 0.00 0.00 174.94 176.25 2jjr s ASP 65 N -1.48 6.90 0.00 4.36 -1.08 -0.30 -1.15 116.67 123.92 2jjr s ASP 65 Ca 0.16 1.56 0.26 0.00 -0.52 0.00 0.00 52.55 54.02 2jjr s ASP 65 Cb -0.11 -2.54 1.18 0.00 -1.46 0.00 0.00 42.92 39.99 2jjr s ASP 65 CO 0.07 -0.82 1.86 1.33 0.52 0.00 0.00 175.17 178.12 2jjr n VAL 66 N 5.55 0.19 0.14 1.11 0.24 0.19 -0.04 118.33 125.71 2jjr n VAL 66 Ca 0.14 0.05 0.07 0.00 -2.04 0.00 0.00 64.34 62.55 2jjr n VAL 66 Cb 0.45 -0.60 0.05 0.00 -1.47 0.00 0.00 33.84 32.27 2jjr n VAL 66 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2jjr h THR 67 N 0.00 0.36 0.00 3.34 1.35 -1.83 -3.41 112.91 112.72 2jjr h THR 67 Ca 0.00 -1.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 2jjr h THR 67 Cb 0.39 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2jjr h THR 67 CO 0.00 0.20 0.00 -0.46 -0.25 0.00 0.00 175.52 175.01 2jjr n ASN 68 N -3.02 0.09 -1.71 5.36 0.23 -1.16 -4.57 115.26 110.49 2jjr n ASN 68 Ca 0.00 -0.99 -0.15 0.00 -0.53 0.00 0.00 54.58 52.91 2jjr n ASN 68 Cb 0.65 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.30 2jjr n ASN 68 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2jjr n VAL 69 N -0.00 -0.20 -2.61 3.53 3.14 0.95 -4.98 118.33 118.15 2jjr n VAL 69 Ca 0.00 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.97 2jjr n VAL 69 Cb 0.23 -1.63 -0.04 0.00 -1.06 0.00 0.00 33.84 31.33 2jjr n VAL 69 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 2jjr s TYR 70 N -2.40 3.73 -0.06 1.45 2.02 -1.24 -4.60 117.35 116.24 2jjr s TYR 70 Ca 0.00 1.73 -0.30 0.00 -0.37 0.00 0.00 57.07 58.13 2jjr s TYR 70 Cb 0.00 -3.16 -0.03 0.00 -0.40 0.00 0.00 41.96 38.37 2jjr s TYR 70 CO 0.00 -0.17 1.13 0.42 -1.57 0.00 0.00 175.55 175.36 2jjr s ILE 71 N -0.43 4.42 -0.09 2.71 1.01 -1.26 -1.15 121.20 126.41 2jjr s ILE 71 Ca 0.47 1.73 -0.04 0.00 0.00 0.00 0.00 60.65 62.81 2jjr s ILE 71 Cb -0.27 -4.11 -0.26 0.00 0.01 0.00 0.00 42.46 37.82 2jjr s ILE 71 CO 0.33 0.01 0.50 0.24 0.00 0.00 0.00 174.94 176.03 2jjr h MET 72 N 7.29 0.24 0.00 2.79 2.86 -1.11 -3.48 114.93 123.52 2jjr h MET 72 Ca -0.34 -0.41 0.00 0.00 -2.06 0.00 0.00 59.70 56.89 2jjr h MET 72 Cb 1.16 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.97 2jjr h MET 72 CO 0.86 1.10 0.00 0.41 1.06 0.00 0.00 176.91 180.34 2jjr n GLY 73 N 1.87 -1.49 3.21 8.32 0.00 -1.21 -2.38 105.19 113.52 2jjr n GLY 73 Ca -0.27 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 2jjr n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jjr s TYR 74 N -2.51 0.10 -0.07 1.61 1.13 0.49 -0.74 117.35 117.36 2jjr s TYR 74 Ca 0.00 -0.49 0.05 0.00 -1.41 0.00 0.00 57.07 55.22 2jjr s TYR 74 Cb 0.00 -0.03 -0.01 0.00 -1.10 0.00 0.00 41.96 40.83 2jjr s TYR 74 CO 0.00 -0.54 -0.23 0.50 -2.51 0.00 0.00 175.55 172.77 2jjr s ARG 75 N -3.67 2.75 -0.11 -3.49 3.52 0.15 -0.03 118.95 118.06 2jjr s ARG 75 Ca 0.03 -0.87 -0.01 0.00 -0.13 0.00 0.00 55.73 54.76 2jjr s ARG 75 Cb 0.04 -2.25 0.03 0.00 -1.56 0.00 0.00 34.95 31.21 2jjr s ARG 75 CO -0.10 0.33 -0.04 0.00 -0.81 0.00 0.00 175.30 174.68 2jjr s ALA 76 N -0.03 1.14 0.00 6.12 0.00 -0.48 -1.10 121.76 127.41 2jjr s ALA 76 Ca -0.07 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2jjr s ALA 76 Cb -0.15 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2jjr s ALA 76 CO 0.05 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2jjr n GLY 77 N 5.00 2.78 1.91 0.00 0.00 -1.26 -2.02 105.19 111.60 2jjr n GLY 77 Ca -0.10 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.72 2jjr n GLY 77 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jjr n ASP 78 N 5.58 5.67 -4.26 1.61 2.03 -1.26 -4.91 116.55 121.00 2jjr n ASP 78 Ca 0.00 -2.95 -0.32 0.00 0.52 0.00 0.00 54.79 52.04 2jjr n ASP 78 Cb 0.00 -0.69 -0.16 0.00 -0.72 0.00 0.00 41.12 39.54 2jjr n ASP 78 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2jjr s THR 79 N -2.78 2.21 0.05 5.18 2.01 -0.86 -1.95 115.64 119.50 2jjr s THR 79 Ca 0.54 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.56 2jjr s THR 79 Cb 0.42 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2jjr s THR 79 CO 0.16 0.56 0.17 -0.94 -0.69 0.00 0.00 174.62 173.87 2jjr s SER 80 N 0.15 6.13 -0.08 3.53 1.04 -0.26 -1.38 113.70 122.82 2jjr s SER 80 Ca -0.12 0.21 -0.00 0.00 0.48 0.00 0.00 55.95 56.52 2jjr s SER 80 Cb -0.16 -1.84 0.02 0.00 0.10 0.00 0.00 66.02 64.14 2jjr s SER 80 CO 0.07 0.20 -0.04 -0.31 0.98 0.00 0.00 173.24 174.13 2jjr s TYR 81 N -1.42 1.05 0.02 5.02 1.51 0.96 -0.91 117.35 123.57 2jjr s TYR 81 Ca 0.31 -0.42 0.08 0.00 -1.01 0.00 0.00 57.07 56.04 2jjr s TYR 81 Cb -0.13 -0.96 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 2jjr s TYR 81 CO 0.24 -0.37 -0.24 -0.06 -1.11 0.00 0.00 175.55 174.01 2jjr s PHE 82 N 1.60 2.11 0.57 2.71 0.08 -0.77 -0.38 117.98 123.91 2jjr s PHE 82 Ca 0.01 -0.40 -0.21 0.00 0.12 0.00 0.00 56.93 56.45 2jjr s PHE 82 Cb -0.13 -1.30 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 2jjr s PHE 82 CO -0.05 0.05 1.32 1.19 -0.10 0.00 0.00 175.22 177.64 2jjr n PHE 83 N 2.08 2.14 -2.03 0.36 3.72 -1.00 -0.15 117.46 122.58 2jjr n PHE 83 Ca -0.16 0.43 -0.42 0.00 -0.05 0.00 0.00 57.45 57.25 2jjr n PHE 83 Cb 0.52 -2.33 -0.01 0.00 -0.94 0.00 0.00 39.48 36.73 2jjr n PHE 83 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2jjr n ASN 84 N -1.21 4.11 -3.51 4.37 5.15 0.05 -4.53 115.26 119.69 2jjr n ASN 84 Ca 0.12 -2.85 -0.15 0.00 -0.60 0.00 0.00 54.58 51.10 2jjr n ASN 84 Cb 0.46 -1.65 -0.05 0.00 -0.53 0.00 0.00 39.78 38.01 2jjr n ASN 84 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2jjr s GLU 85 N 3.95 1.11 0.36 1.20 -1.05 -1.26 -3.93 118.70 119.08 2jjr s GLU 85 Ca 0.52 -0.12 0.10 0.00 -0.15 0.00 0.00 54.97 55.31 2jjr s GLU 85 Cb 0.09 0.51 0.70 0.00 -0.44 0.00 0.00 34.13 34.99 2jjr s GLU 85 CO 0.01 -0.41 1.85 0.00 0.95 0.00 0.00 175.26 177.66 2jjr h ALA 86 N 2.65 1.39 -0.33 -0.84 0.00 -2.00 -1.21 119.26 118.93 2jjr h ALA 86 Ca -0.30 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 2jjr h ALA 86 Cb 1.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2jjr h ALA 86 CO 0.40 0.43 -0.14 0.66 0.00 0.00 0.00 179.25 180.59 2jjr h SER 87 N 0.16 0.57 0.57 0.00 4.64 -1.97 -2.49 113.55 115.03 2jjr h SER 87 Ca 0.03 -0.16 -0.24 0.00 -0.47 0.00 0.00 61.79 60.95 2jjr h SER 87 Cb 0.54 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2jjr h SER 87 CO 0.04 0.74 -1.05 0.00 -0.87 0.00 0.00 176.83 175.69 2jjr h ALA 88 N 1.32 0.30 -0.85 5.18 0.00 -1.51 -1.25 119.26 122.45 2jjr h ALA 88 Ca 0.09 -0.80 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 2jjr h ALA 88 Cb 0.55 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2jjr h ALA 88 CO 0.04 0.93 0.47 1.15 0.00 0.00 0.00 179.25 181.83 2jjr h THR 89 N 0.12 1.25 -0.50 0.00 2.02 -1.38 -1.26 112.91 113.17 2jjr h THR 89 Ca -0.09 -0.62 -0.11 0.00 0.77 0.00 0.00 66.41 66.36 2jjr h THR 89 Cb 1.73 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 2jjr h THR 89 CO 0.17 0.28 -0.13 -0.08 0.37 0.00 0.00 175.52 176.13 2jjr h GLU 90 N 1.19 0.96 -0.53 6.66 4.57 -1.37 -3.02 114.58 123.04 2jjr h GLU 90 Ca 0.30 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 2jjr h GLU 90 Cb 0.03 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 2jjr h GLU 90 CO -0.05 1.04 0.29 0.00 -1.18 0.00 0.00 179.01 179.12 2jjr h ALA 91 N 0.89 1.51 0.00 2.92 0.00 -0.82 -2.78 119.26 120.99 2jjr h ALA 91 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2jjr h ALA 91 Cb 0.69 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2jjr h ALA 91 CO 0.05 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.71 2jjr n ALA 92 N -2.46 1.26 1.14 0.00 0.00 -0.51 -0.58 120.51 119.36 2jjr n ALA 92 Ca 0.05 0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.77 2jjr n ALA 92 Cb 0.10 -1.31 0.58 0.00 0.00 0.00 0.00 19.45 18.81 2jjr n ALA 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jjr n LYS 93 N -2.17 0.18 -0.01 0.00 5.02 -1.05 -4.33 118.16 115.80 2jjr n LYS 93 Ca -0.00 -0.04 -0.01 0.00 -2.02 0.00 0.00 58.31 56.24 2jjr n LYS 93 Cb 0.10 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.60 2jjr n LYS 93 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2jjr n TYR 94 N -1.38 0.00 -4.26 2.13 4.01 0.25 -5.03 117.16 112.88 2jjr n TYR 94 Ca 0.09 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.56 2jjr n TYR 94 Cb 0.31 -0.07 -0.09 0.00 -0.31 0.00 0.00 39.34 39.18 2jjr n TYR 94 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2jjr s VAL 95 N -2.04 3.32 -1.65 -0.72 -7.23 -0.60 -4.62 120.40 106.86 2jjr s VAL 95 Ca -0.02 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 2jjr s VAL 95 Cb 0.01 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.31 2jjr s VAL 95 CO 0.04 -0.08 0.00 0.49 -0.31 0.00 0.00 175.10 175.24 2jjr n PHE 96 N 0.10 -0.79 0.15 2.82 3.72 -1.26 -4.67 117.46 117.53 2jjr n PHE 96 Ca -0.11 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.34 2jjr n PHE 96 Cb 0.55 -3.38 0.49 0.00 -0.94 0.00 0.00 39.48 36.20 2jjr n PHE 96 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2jjr h LYS 97 N 0.00 0.20 0.00 -1.08 1.57 -1.85 -1.96 116.57 113.45 2jjr h LYS 97 Ca -0.40 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2jjr h LYS 97 Cb 1.26 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2jjr h LYS 97 CO 0.51 0.23 0.00 -0.25 -0.57 0.00 0.00 179.45 179.37 2jjr n ASP 98 N -4.41 0.00 -4.63 0.86 8.00 -1.26 -4.62 116.55 110.49 2jjr n ASP 98 Ca -0.01 -0.62 -0.41 0.00 0.71 0.00 0.00 54.79 54.46 2jjr n ASP 98 Cb 0.16 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.11 2jjr n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jjr s ALA 99 N -2.20 3.61 0.09 2.24 0.00 -0.74 -4.97 121.76 119.80 2jjr s ALA 99 Ca 0.37 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 2jjr s ALA 99 Cb 0.19 -3.10 -0.20 0.00 0.00 0.00 0.00 23.12 20.01 2jjr s ALA 99 CO 0.36 -0.86 1.21 1.98 0.00 0.00 0.00 175.76 178.45 2jjr h MET 100 N 7.87 0.58 -6.07 0.00 4.05 -1.78 -3.44 114.93 116.13 2jjr h MET 100 Ca -0.26 -0.66 -0.58 0.00 -0.28 0.00 0.00 59.70 57.92 2jjr h MET 100 Cb 1.12 0.20 -0.05 0.00 -0.80 0.00 0.00 31.60 32.06 2jjr h MET 100 CO 0.80 1.26 -0.10 1.03 0.23 0.00 0.00 176.91 180.13 2jjr s ARG 101 N -3.21 4.14 -0.10 0.39 0.52 -0.82 -5.04 118.95 114.84 2jjr s ARG 101 Ca -0.08 0.59 -0.02 0.00 -0.52 0.00 0.00 55.73 55.70 2jjr s ARG 101 Cb 0.07 -3.27 0.03 0.00 0.52 0.00 0.00 34.95 32.30 2jjr s ARG 101 CO 0.91 0.56 0.00 0.15 0.02 0.00 0.00 175.30 176.94 2jjr s LYS 102 N -0.75 0.66 -0.11 3.54 1.02 -1.26 -1.10 119.74 121.74 2jjr s LYS 102 Ca 0.27 -0.00 0.02 0.00 0.02 0.00 0.00 55.97 56.27 2jjr s LYS 102 Cb -0.18 -1.21 -0.01 0.00 -0.52 0.00 0.00 37.83 35.91 2jjr s LYS 102 CO 0.16 -0.36 -0.16 0.08 -0.92 0.00 0.00 175.35 174.14 2jjr s VAL 103 N 1.94 2.79 -0.25 3.17 1.01 -0.09 -4.97 120.40 124.00 2jjr s VAL 103 Ca 0.04 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 2jjr s VAL 103 Cb -0.13 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2jjr s VAL 103 CO -0.06 0.54 0.50 -0.89 0.00 0.00 0.00 175.10 175.19 2jjr s THR 104 N 0.20 5.09 0.47 3.92 2.01 -1.26 -1.85 115.64 124.22 2jjr s THR 104 Ca -0.10 0.85 -0.23 0.00 0.31 0.00 0.00 61.69 62.52 2jjr s THR 104 Cb -0.16 -3.81 -0.07 0.00 0.01 0.00 0.00 72.50 68.47 2jjr s THR 104 CO 0.06 0.11 1.27 -0.76 -0.69 0.00 0.00 174.62 174.61 2jjr s LEU 105 N 2.14 4.02 0.00 4.42 1.43 0.79 -4.90 118.68 126.58 2jjr s LEU 105 Ca 0.21 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 2jjr s LEU 105 Cb -0.16 -4.15 0.00 0.00 0.03 0.00 0.00 46.19 41.91 2jjr s LEU 105 CO 0.09 -1.12 0.43 -0.81 0.23 0.00 0.00 176.35 175.17 2jjr n PRO 106 N -0.49 0.85 -3.90 1.29 -0.04 -1.26 -3.54 135.00 127.90 2jjr n PRO 106 Ca 0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.44 2jjr n PRO 106 Cb 0.46 -1.42 -0.07 0.00 -0.04 0.00 0.00 33.50 32.43 2jjr n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2jjr s TYR 107 N -0.98 0.26 0.89 0.54 -0.85 -1.26 -4.98 117.35 110.97 2jjr s TYR 107 Ca 0.00 -0.66 -0.13 0.00 -0.52 0.00 0.00 57.07 55.77 2jjr s TYR 107 Cb 0.00 -0.05 0.13 0.00 0.38 0.00 0.00 41.96 42.41 2jjr s TYR 107 CO 0.00 -0.63 1.16 -1.54 -1.52 0.00 0.00 175.55 173.02 2jjr s SER 108 N -2.91 3.77 0.00 -0.18 1.04 -1.25 -0.77 113.70 113.39 2jjr s SER 108 Ca 0.11 0.85 0.13 0.00 0.48 0.00 0.00 55.95 57.52 2jjr s SER 108 Cb 0.04 -1.35 0.55 0.00 0.10 0.00 0.00 66.02 65.35 2jjr s SER 108 CO -0.06 -2.38 1.39 0.61 0.98 0.00 0.00 173.24 173.78 2jjr n GLY 109 N -2.66 -0.12 3.84 7.32 0.00 -1.26 -4.45 105.19 107.85 2jjr n GLY 109 Ca 0.08 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 2jjr n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jjr s ASN 110 N -1.29 6.72 0.38 1.61 2.20 -1.26 -4.90 114.94 118.40 2jjr s ASN 110 Ca 0.22 1.50 0.05 0.00 -0.94 0.00 0.00 52.86 53.69 2jjr s ASN 110 Cb 0.12 -2.47 0.74 0.00 -2.00 0.00 0.00 41.25 37.63 2jjr s ASN 110 CO 0.17 -0.44 2.02 1.88 -2.94 0.00 0.00 177.10 177.79 2jjr h TYR 111 N 1.43 0.68 -0.33 1.54 0.05 -1.99 -1.73 116.97 116.62 2jjr h TYR 111 Ca -0.48 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.34 2jjr h TYR 111 Cb 1.18 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 38.66 2jjr h TYR 111 CO 0.63 0.42 0.16 1.49 -1.05 0.00 0.00 178.16 179.80 2jjr h GLU 112 N 0.73 0.33 -0.29 4.88 4.22 -1.97 0.19 114.58 122.65 2jjr h GLU 112 Ca 0.21 -0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.56 2jjr h GLU 112 Cb -0.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2jjr h GLU 112 CO -0.05 0.22 -0.10 0.00 -2.18 0.00 0.00 179.01 176.89 2jjr h ARG 113 N 0.34 0.59 -0.41 1.92 2.47 -1.76 -2.39 114.38 115.13 2jjr h ARG 113 Ca 0.14 -0.24 -0.04 0.00 -1.26 0.00 0.00 59.98 58.57 2jjr h ARG 113 Cb 0.06 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 2jjr h ARG 113 CO -0.10 0.80 0.08 -0.07 0.56 0.00 0.00 179.97 181.25 2jjr h LEU 114 N 0.35 0.64 -1.04 3.04 3.38 -1.12 0.14 115.31 120.70 2jjr h LEU 114 Ca 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2jjr h LEU 114 Cb 0.60 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2jjr h LEU 114 CO 0.04 0.72 0.38 1.56 0.09 0.00 0.00 178.44 181.23 2jjr h GLN 115 N 0.53 1.06 -0.25 1.13 4.20 -0.68 0.12 115.11 121.21 2jjr h GLN 115 Ca 0.13 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 2jjr h GLN 115 Cb 0.34 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2jjr h GLN 115 CO 0.00 0.80 -0.08 1.15 -0.67 0.00 0.00 178.83 180.03 2jjr h THR 116 N 1.06 1.29 -0.50 -0.54 2.02 -1.07 -0.62 112.91 114.55 2jjr h THR 116 Ca 0.26 -1.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 2jjr h THR 116 Cb 0.07 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 2jjr h THR 116 CO -0.04 0.35 0.14 0.00 0.37 0.00 0.00 175.52 176.34 2jjr h ALA 117 N 0.75 1.30 0.00 6.16 0.00 -0.51 -2.96 119.26 124.01 2jjr h ALA 117 Ca 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2jjr h ALA 117 Cb 0.56 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jjr h ALA 117 CO 0.03 0.50 -0.13 0.00 0.00 0.00 0.00 179.25 179.64 2jjr h ALA 118 N 1.42 0.93 -0.10 0.00 0.00 -0.68 -3.48 119.26 117.35 2jjr h ALA 118 Ca 0.17 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2jjr h ALA 118 Cb 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jjr h ALA 118 CO -0.01 0.09 -0.04 0.41 0.00 0.00 0.00 179.25 179.71 2jjr n GLY 119 N 1.12 0.55 3.37 0.00 0.00 -0.29 -4.93 105.19 105.02 2jjr n GLY 119 Ca 0.03 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 2jjr n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jjr s LYS 120 N -1.38 1.03 0.27 1.61 -2.85 -0.88 -5.03 119.74 112.50 2jjr s LYS 120 Ca 0.00 -0.33 -0.13 0.00 -1.00 0.00 0.00 55.97 54.51 2jjr s LYS 120 Cb 0.00 0.47 -0.08 0.00 -2.06 0.00 0.00 37.83 36.15 2jjr s LYS 120 CO 0.00 -0.38 0.65 0.96 0.10 0.00 0.00 175.35 176.68 2jjr s ILE 121 N -2.68 4.79 0.32 3.79 -4.36 -1.26 -4.43 121.20 117.38 2jjr s ILE 121 Ca -0.04 0.75 0.11 0.00 -0.26 0.00 0.00 60.65 61.21 2jjr s ILE 121 Cb -0.00 -3.63 0.32 0.00 1.25 0.00 0.00 42.46 40.39 2jjr s ILE 121 CO -0.04 -0.10 1.70 0.03 0.24 0.00 0.00 174.94 176.77 2jjr h ARG 122 N 2.47 0.46 -0.52 0.37 3.08 -1.96 -0.98 114.38 117.30 2jjr h ARG 122 Ca -0.47 -0.03 0.15 0.00 0.07 0.00 0.00 59.98 59.70 2jjr h ARG 122 Cb 1.17 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 2jjr h ARG 122 CO 0.67 0.30 0.47 0.93 -1.07 0.00 0.00 179.97 181.28 2jjr h GLU 123 N 0.47 0.00 -0.52 0.04 3.07 -1.94 -1.28 114.58 114.41 2jjr h GLU 123 Ca 0.67 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.53 2jjr h GLU 123 Cb 1.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 2jjr h GLU 123 CO -0.53 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.17 2jjr n ASN 124 N -3.92 3.44 -4.24 1.42 5.03 -0.37 -4.32 115.26 112.29 2jjr n ASN 124 Ca 0.10 -2.03 -0.35 0.00 0.87 0.00 0.00 54.58 53.17 2jjr n ASN 124 Cb 0.68 -0.36 -0.14 0.00 -1.02 0.00 0.00 39.78 38.95 2jjr n ASN 124 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2jjr s ILE 125 N -1.05 3.17 0.39 2.41 1.01 -0.48 -5.00 121.20 121.64 2jjr s ILE 125 Ca 0.35 -0.90 -0.27 0.00 0.00 0.00 0.00 60.65 59.83 2jjr s ILE 125 Cb 0.19 -2.60 -0.11 0.00 0.01 0.00 0.00 42.46 39.95 2jjr s ILE 125 CO 0.23 0.19 1.44 -2.65 0.00 0.00 0.00 174.94 174.15 2jjr n PRO 126 N 4.73 2.46 -4.49 2.79 -0.02 -1.26 -4.50 135.00 134.70 2jjr n PRO 126 Ca -0.16 0.87 -0.29 0.00 -2.02 0.00 0.00 63.50 61.90 2jjr n PRO 126 Cb 0.48 -2.60 -0.08 0.00 -0.02 0.00 0.00 33.50 31.28 2jjr n PRO 126 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2jjr s LEU 127 N -2.05 2.72 0.00 2.45 1.43 -0.22 -4.82 118.68 118.19 2jjr s LEU 127 Ca 0.56 -1.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 2jjr s LEU 127 Cb -0.48 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 44.75 2jjr s LEU 127 CO 0.62 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 177.14 2jjr n GLY 128 N -1.20 2.68 0.22 -3.19 0.00 -1.26 -1.24 105.19 101.19 2jjr n GLY 128 Ca -0.09 -2.06 -0.00 0.00 0.00 0.00 0.00 46.02 43.87 2jjr n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jjr h LEU 129 N 0.00 0.26 -1.26 0.99 3.38 -1.72 -1.60 115.31 115.36 2jjr h LEU 129 Ca 0.00 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2jjr h LEU 129 Cb 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2jjr h LEU 129 CO 0.00 0.54 0.21 -0.65 0.09 0.00 0.00 178.44 178.62 2jjr h PRO 130 N 0.23 0.72 -0.35 1.13 0.11 -1.79 -0.86 132.00 131.19 2jjr h PRO 130 Ca 0.04 -0.10 -0.14 0.00 0.11 0.00 0.00 66.00 65.91 2jjr h PRO 130 Cb 0.61 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 2jjr h PRO 130 CO 0.04 0.59 -0.34 0.00 -0.21 0.00 0.00 178.00 178.08 2jjr h ALA 131 N 1.51 0.73 -0.45 -0.75 0.00 -1.72 -2.24 119.26 116.34 2jjr h ALA 131 Ca 0.17 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 2jjr h ALA 131 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2jjr h ALA 131 CO -0.02 0.66 -0.21 1.25 0.00 0.00 0.00 179.25 180.94 2jjr h LEU 132 N 0.67 0.96 -0.30 0.00 5.85 -1.06 -1.42 115.31 120.01 2jjr h LEU 132 Ca 0.07 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.45 2jjr h LEU 132 Cb 0.89 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.58 2jjr h LEU 132 CO 0.08 1.14 -0.40 -0.78 -0.34 0.00 0.00 178.44 178.14 2jjr h ASP 133 N 0.77 -1.31 0.31 1.25 3.58 -1.03 -1.04 116.42 118.95 2jjr h ASP 133 Ca 0.10 0.20 -0.07 0.00 0.42 0.00 0.00 57.03 57.68 2jjr h ASP 133 Cb 0.78 0.57 -0.01 0.00 1.72 0.00 0.00 39.33 42.38 2jjr h ASP 133 CO 0.06 -0.38 -0.32 0.77 -2.88 0.00 0.00 179.24 176.49 2jjr h SER 134 N -0.37 0.02 -0.39 2.28 4.64 -1.28 -2.10 113.55 116.35 2jjr h SER 134 Ca 0.12 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.37 2jjr h SER 134 Cb 0.59 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2jjr h SER 134 CO -0.50 0.35 -0.02 0.00 -0.87 0.00 0.00 176.83 175.79 2jjr h ALA 135 N 1.65 0.52 -0.41 5.18 0.00 -0.93 0.30 119.26 125.58 2jjr h ALA 135 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.68 2jjr h ALA 135 Cb 0.59 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2jjr h ALA 135 CO 0.04 0.32 0.18 0.82 0.00 0.00 0.00 179.25 180.61 2jjr h ILE 136 N 0.51 0.93 -0.22 0.00 2.04 -0.98 -0.55 117.51 119.24 2jjr h ILE 136 Ca 0.11 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2jjr h ILE 136 Cb 0.50 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2jjr h ILE 136 CO 0.02 0.07 0.14 0.74 0.00 0.00 0.00 178.15 179.12 2jjr h THR 137 N 0.36 1.06 -0.82 -0.27 2.02 -1.24 0.37 112.91 114.40 2jjr h THR 137 Ca 0.18 -0.13 0.06 0.00 0.77 0.00 0.00 66.41 67.29 2jjr h THR 137 Cb 0.13 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 2jjr h THR 137 CO -0.16 0.06 0.50 0.74 0.37 0.00 0.00 175.52 177.04 2jjr h THR 138 N 0.29 1.03 -0.01 3.16 2.02 -0.70 -1.48 112.91 117.22 2jjr h THR 138 Ca 0.08 -0.31 -0.26 0.00 0.77 0.00 0.00 66.41 66.69 2jjr h THR 138 Cb -0.02 0.04 0.02 0.00 -1.74 0.00 0.00 68.15 66.44 2jjr h THR 138 CO -0.02 0.17 -1.00 -0.07 0.37 0.00 0.00 175.52 174.97 2jjr h LEU 139 N 0.92 0.90 -0.66 2.58 3.38 -0.58 -2.35 115.31 119.51 2jjr h LEU 139 Ca 0.36 -0.73 0.07 0.00 0.09 0.00 0.00 57.88 57.66 2jjr h LEU 139 Cb 0.16 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 2jjr h LEU 139 CO -0.17 1.51 0.35 0.15 0.09 0.00 0.00 178.44 180.38 2jjr h PHE 140 N 0.38 0.65 -0.35 1.13 3.57 -0.11 -1.70 116.94 120.51 2jjr h PHE 140 Ca -0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2jjr h PHE 140 Cb 1.65 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.20 2jjr h PHE 140 CO 0.10 0.29 0.00 0.66 -2.23 0.00 0.00 178.31 177.14 2jjr n TYR 141 N -4.82 0.80 -1.95 0.41 4.01 -0.57 -4.88 117.16 110.16 2jjr n TYR 141 Ca 0.09 -0.32 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 2jjr n TYR 141 Cb 0.19 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 2jjr n TYR 141 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 2jjr n TYR 142 N 0.50 0.00 -2.67 -0.72 9.36 -0.64 -4.83 117.16 118.16 2jjr n TYR 142 Ca 0.14 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.94 2jjr n TYR 142 Cb 0.53 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.21 2jjr n TYR 142 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2jjr s ASN 143 N -1.36 6.57 0.44 2.98 2.47 -0.92 -4.92 114.94 120.19 2jjr s ASN 143 Ca 0.00 -1.70 0.13 0.00 0.42 0.00 0.00 52.86 51.71 2jjr s ASN 143 Cb 0.00 -2.52 1.03 0.00 -1.45 0.00 0.00 41.25 38.31 2jjr s ASN 143 CO 0.00 -1.35 2.00 0.00 -3.72 0.00 0.00 177.10 174.03 2jjr h ALA 144 N 9.35 1.99 0.00 1.71 0.00 -1.89 0.13 119.26 130.55 2jjr h ALA 144 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jjr h ALA 144 Cb 1.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2jjr h ALA 144 CO 1.34 -0.10 0.00 0.09 0.00 0.00 0.00 179.25 180.58 2jjr n ASN 145 N -4.47 0.00 -0.14 0.00 3.02 -1.26 -3.36 115.26 109.05 2jjr n ASN 145 Ca 0.08 0.20 0.02 0.00 -0.03 0.00 0.00 54.58 54.85 2jjr n ASN 145 Cb 0.32 -0.39 0.02 0.00 -0.61 0.00 0.00 39.78 39.12 2jjr n ASN 145 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2jjr n SER 146 N -1.39 1.41 -0.05 6.41 3.41 0.39 -4.80 113.62 119.00 2jjr n SER 146 Ca 0.09 -1.25 -0.11 0.00 -0.26 0.00 0.00 58.87 57.34 2jjr n SER 146 Cb 0.25 -0.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.22 2jjr n SER 146 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jjr h ALA 147 N 0.66 0.64 -0.52 7.33 0.00 -1.41 -2.86 119.26 123.09 2jjr h ALA 147 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jjr h ALA 147 Cb 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2jjr h ALA 147 CO 0.00 0.68 0.33 0.00 0.00 0.00 0.00 179.25 180.26 2jjr h ALA 148 N 0.87 0.66 -0.07 0.00 0.00 -1.87 0.79 119.26 119.65 2jjr h ALA 148 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jjr h ALA 148 Cb 1.05 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jjr h ALA 148 CO 0.10 0.12 0.04 1.03 0.00 0.00 0.00 179.25 180.55 2jjr h SER 149 N 0.70 0.08 -0.98 0.00 0.87 -1.82 -1.85 113.55 110.56 2jjr h SER 149 Ca 0.19 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.76 2jjr h SER 149 Cb -0.05 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 61.83 2jjr h SER 149 CO -0.04 0.08 0.64 0.00 -0.53 0.00 0.00 176.83 176.98 2jjr h ALA 150 N 1.01 1.36 -0.40 6.23 0.00 -1.25 -2.09 119.26 124.11 2jjr h ALA 150 Ca 0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2jjr h ALA 150 Cb 0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2jjr h ALA 150 CO -0.01 0.56 -0.09 -0.07 0.00 0.00 0.00 179.25 179.64 2jjr h LEU 151 N 1.25 0.68 -0.82 0.00 3.38 -0.64 -0.70 115.31 118.47 2jjr h LEU 151 Ca 0.38 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 2jjr h LEU 151 Cb -0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2jjr h LEU 151 CO -0.11 0.81 0.04 0.24 0.09 0.00 0.00 178.44 179.51 2jjr h MET 152 N 0.64 0.93 -0.37 1.13 2.86 -0.92 0.31 114.93 119.50 2jjr h MET 152 Ca 0.11 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2jjr h MET 152 Cb 0.54 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 2jjr h MET 152 CO 0.03 0.89 0.19 0.28 1.06 0.00 0.00 176.91 179.37 2jjr h VAL 153 N 0.86 1.16 -0.03 -2.22 2.07 -1.15 -1.91 116.25 115.03 2jjr h VAL 153 Ca 0.17 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2jjr h VAL 153 Cb 0.46 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2jjr h VAL 153 CO 0.02 0.16 0.01 0.25 0.02 0.00 0.00 177.57 178.03 2jjr h LEU 154 N 0.47 0.04 -0.36 2.57 5.85 -0.67 -0.58 115.31 122.63 2jjr h LEU 154 Ca 0.13 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.64 2jjr h LEU 154 Cb 0.08 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2jjr h LEU 154 CO -0.02 0.27 0.16 0.40 -0.34 0.00 0.00 178.44 178.91 2jjr h ILE 155 N -0.19 0.95 0.00 4.05 2.04 -0.44 -1.65 117.51 122.27 2jjr h ILE 155 Ca 0.01 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 2jjr h ILE 155 Cb 0.24 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2jjr h ILE 155 CO 0.00 0.06 -0.31 1.56 0.00 0.00 0.00 178.15 179.46 2jjr h GLN 156 N 0.34 0.00 -0.00 2.37 4.20 -1.20 -1.16 115.11 119.66 2jjr h GLN 156 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2jjr h GLN 156 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2jjr h GLN 156 CO -0.13 0.31 -0.24 0.43 -0.67 0.00 0.00 178.83 178.54 2jjr n SER 157 N -4.03 0.38 0.00 1.46 7.64 -0.24 -2.37 113.62 116.46 2jjr n SER 157 Ca -0.02 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2jjr n SER 157 Cb 0.37 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 2jjr n SER 157 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2jjr n THR 158 N -1.30 0.00 -0.05 0.44 -2.24 -0.68 -4.72 114.28 105.74 2jjr n THR 158 Ca 0.09 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.78 2jjr n THR 158 Cb 0.32 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 2jjr n THR 158 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jjr h SER 159 N 0.00 -0.99 -0.30 3.42 0.02 -1.44 -1.35 113.55 112.91 2jjr h SER 159 Ca 0.00 0.16 -0.17 0.00 -0.84 0.00 0.00 61.79 60.94 2jjr h SER 159 Cb 0.00 0.44 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2jjr h SER 159 CO 0.00 -0.33 -0.46 -0.33 -1.14 0.00 0.00 176.83 174.56 2jjr h GLU 160 N -0.32 0.84 -1.01 3.45 4.39 -1.52 -2.00 114.58 118.41 2jjr h GLU 160 Ca 0.13 -0.51 0.05 0.00 0.34 0.00 0.00 59.36 59.38 2jjr h GLU 160 Cb 0.53 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.16 2jjr h GLU 160 CO -0.42 1.14 0.65 0.00 -1.16 0.00 0.00 179.01 179.23 2jjr h ALA 161 N 0.69 1.38 -0.51 3.43 0.00 -1.41 -1.36 119.26 121.48 2jjr h ALA 161 Ca 0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2jjr h ALA 161 Cb 1.07 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2jjr h ALA 161 CO 0.11 0.49 -0.09 0.00 0.00 0.00 0.00 179.25 179.76 2jjr h ALA 162 N 1.44 0.89 0.00 0.00 0.00 -1.05 -3.16 119.26 117.38 2jjr h ALA 162 Ca 0.42 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2jjr h ALA 162 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jjr h ALA 162 CO -0.15 0.64 -0.47 0.00 0.00 0.00 0.00 179.25 179.27 2jjr h ARG 163 N 0.83 0.00 -3.40 0.00 3.08 -0.97 -3.38 114.38 110.54 2jjr h ARG 163 Ca 0.14 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.80 2jjr h ARG 163 Cb 0.61 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.27 2jjr h ARG 163 CO 0.04 0.47 -0.75 0.71 -1.07 0.00 0.00 179.97 179.37 2jjr s TYR 164 N -3.71 0.22 0.43 3.04 2.02 -0.55 0.33 117.35 119.13 2jjr s TYR 164 Ca -0.01 0.13 0.09 0.00 -0.37 0.00 0.00 57.07 56.92 2jjr s TYR 164 Cb 0.12 -0.57 0.95 0.00 -0.40 0.00 0.00 41.96 42.06 2jjr s TYR 164 CO 0.72 -0.24 2.07 0.87 -1.57 0.00 0.00 175.55 177.40 2jjr h LYS 165 N 8.41 0.43 -0.49 -0.62 1.57 -1.30 -2.36 116.57 122.21 2jjr h LYS 165 Ca -0.14 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 2jjr h LYS 165 Cb 1.12 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 2jjr h LYS 165 CO 0.18 0.29 0.06 0.35 -0.57 0.00 0.00 179.45 179.76 2jjr h PHE 166 N 0.45 0.89 -0.37 -1.35 3.57 -1.91 0.17 116.94 118.38 2jjr h PHE 166 Ca 0.14 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2jjr h PHE 166 Cb 0.01 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2jjr h PHE 166 CO -0.00 0.82 0.22 0.82 -2.23 0.00 0.00 178.31 177.94 2jjr h ILE 167 N 0.70 1.12 0.03 1.41 2.04 -1.80 -0.41 117.51 120.60 2jjr h ILE 167 Ca 0.15 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.76 2jjr h ILE 167 Cb 0.42 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2jjr h ILE 167 CO 0.01 0.12 -0.21 -0.08 0.00 0.00 0.00 178.15 178.00 2jjr h GLU 168 N 0.48 -0.33 -0.70 2.37 4.81 -1.25 -0.77 114.58 119.19 2jjr h GLU 168 Ca 0.13 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.45 2jjr h GLU 168 Cb -0.00 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 2jjr h GLU 168 CO -0.03 -0.22 0.39 1.96 -0.73 0.00 0.00 179.01 180.38 2jjr h GLN 169 N -0.35 0.68 -0.10 1.92 4.20 -0.49 -0.87 115.11 120.11 2jjr h GLN 169 Ca 0.05 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 2jjr h GLN 169 Cb 0.41 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.04 2jjr h GLN 169 CO -0.17 0.45 -0.56 1.96 -0.67 0.00 0.00 178.83 179.84 2jjr h GLN 170 N 0.70 0.55 -0.53 1.46 1.08 -0.81 -2.16 115.11 115.40 2jjr h GLN 170 Ca 0.32 -0.46 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2jjr h GLN 170 Cb 0.22 0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 2jjr h GLN 170 CO -0.20 1.09 0.35 0.82 -0.95 0.00 0.00 178.83 179.94 2jjr h ILE 171 N 0.16 1.14 -0.00 2.54 2.04 -1.02 -3.21 117.51 119.16 2jjr h ILE 171 Ca -0.04 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2jjr h ILE 171 Cb 1.20 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2jjr h ILE 171 CO 0.11 0.13 -0.15 0.61 0.00 0.00 0.00 178.15 178.86 2jjr n GLY 172 N -1.24 -1.09 0.44 5.37 0.00 -0.34 -4.15 105.19 104.17 2jjr n GLY 172 Ca 0.03 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 2jjr n GLY 172 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jjr h LYS 173 N 0.38 -1.02 -4.68 1.61 3.64 -1.39 -3.33 116.57 111.78 2jjr h LYS 173 Ca 0.00 0.07 -0.68 0.00 -1.27 0.00 0.00 60.65 58.77 2jjr h LYS 173 Cb 0.41 0.23 -0.37 0.00 -0.41 0.00 0.00 32.23 32.09 2jjr h LYS 173 CO 0.00 -0.68 -0.68 1.03 -2.27 0.00 0.00 179.45 176.85 2jjr s ARG 174 N -6.02 1.92 0.51 1.90 0.52 -1.26 -4.81 118.95 111.71 2jjr s ARG 174 Ca -0.18 -1.66 0.30 0.00 -0.52 0.00 0.00 55.73 53.66 2jjr s ARG 174 Cb 0.03 -3.25 1.28 0.00 0.52 0.00 0.00 34.95 33.53 2jjr s ARG 174 CO 0.61 -0.86 1.97 -0.39 0.02 0.00 0.00 175.30 176.65 2jjr h VAL 175 N 6.54 0.30 -0.67 3.52 -1.51 -1.89 -2.38 116.25 120.17 2jjr h VAL 175 Ca -0.12 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 2jjr h VAL 175 Cb 1.04 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 2jjr h VAL 175 CO 0.56 0.10 0.00 -0.90 -1.23 0.00 0.00 177.57 176.10 2jjr n ASP 176 N -3.29 4.36 -4.27 4.19 5.75 -1.26 -4.09 116.55 117.94 2jjr n ASP 176 Ca -0.00 -2.25 -0.16 0.00 -0.01 0.00 0.00 54.79 52.38 2jjr n ASP 176 Cb 0.33 -0.53 -0.10 0.00 -1.03 0.00 0.00 41.12 39.78 2jjr n ASP 176 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2jjr s LYS 177 N -1.46 1.12 0.45 0.11 -0.14 -0.89 -4.94 119.74 113.99 2jjr s LYS 177 Ca 0.49 -1.46 0.06 0.00 -1.36 0.00 0.00 55.97 53.71 2jjr s LYS 177 Cb 0.29 -0.78 -0.02 0.00 -1.68 0.00 0.00 37.83 35.64 2jjr s LYS 177 CO 0.28 0.11 0.25 0.95 -0.76 0.00 0.00 175.35 176.18 2jjr s THR 178 N -3.09 2.09 0.14 2.17 -4.23 -1.26 -4.12 115.64 107.34 2jjr s THR 178 Ca 0.17 -1.62 -0.10 0.00 -1.18 0.00 0.00 61.69 58.96 2jjr s THR 178 Cb 0.01 -2.72 -0.00 0.00 1.34 0.00 0.00 72.50 71.13 2jjr s THR 178 CO 0.02 0.00 0.27 0.72 -0.54 0.00 0.00 174.62 175.10 2jjr s PHE 179 N -2.65 0.26 -0.20 3.99 -0.71 -0.37 -4.96 117.98 113.33 2jjr s PHE 179 Ca 0.37 -0.64 -0.12 0.00 -1.04 0.00 0.00 56.93 55.50 2jjr s PHE 179 Cb 0.01 -0.02 -0.05 0.00 -1.21 0.00 0.00 43.02 41.76 2jjr s PHE 179 CO 0.21 -0.67 0.22 -0.51 -1.34 0.00 0.00 175.22 173.13 2jjr s LEU 180 N -2.92 4.19 0.31 -1.99 1.43 -1.26 -1.06 118.68 117.37 2jjr s LEU 180 Ca 0.12 0.31 -0.28 0.00 -1.03 0.00 0.00 54.13 53.25 2jjr s LEU 180 Cb 0.03 -2.23 -0.09 0.00 0.03 0.00 0.00 46.19 43.93 2jjr s LEU 180 CO -0.04 0.09 1.07 -2.16 0.23 0.00 0.00 176.35 175.54 2jjr s PRO 181 N 0.70 4.54 0.83 1.29 0.04 -1.26 -5.01 135.00 136.13 2jjr s PRO 181 Ca 0.12 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 2jjr s PRO 181 Cb -0.13 -3.04 0.09 0.00 0.04 0.00 0.00 34.50 31.46 2jjr s PRO 181 CO 0.03 0.15 1.09 -1.54 0.04 0.00 0.00 177.00 176.77 2jjr s SER 182 N -1.08 4.18 0.51 6.66 1.04 -1.26 -4.56 113.70 119.19 2jjr s SER 182 Ca 0.47 1.39 0.21 0.00 0.48 0.00 0.00 55.95 58.50 2jjr s SER 182 Cb -0.29 -2.11 1.30 0.00 0.10 0.00 0.00 66.02 65.03 2jjr s SER 182 CO 0.37 -2.18 2.05 -0.07 0.98 0.00 0.00 173.24 174.39 2jjr h LEU 183 N -1.23 0.05 -0.47 2.42 3.38 -1.95 -1.55 115.31 115.96 2jjr h LEU 183 Ca -0.48 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 2jjr h LEU 183 Cb 1.27 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2jjr h LEU 183 CO 0.57 0.03 0.17 0.00 0.09 0.00 0.00 178.44 179.31 2jjr h ALA 184 N 1.82 0.61 -0.48 1.53 0.00 -1.77 -0.07 119.26 120.90 2jjr h ALA 184 Ca 0.17 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2jjr h ALA 184 Cb 0.60 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2jjr h ALA 184 CO -0.01 0.23 0.12 0.82 0.00 0.00 0.00 179.25 180.41 2jjr h ILE 185 N 0.62 1.24 -0.71 0.00 2.04 -1.74 -1.95 117.51 117.00 2jjr h ILE 185 Ca 0.15 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 2jjr h ILE 185 Cb 0.22 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2jjr h ILE 185 CO -0.01 0.30 0.24 0.40 0.00 0.00 0.00 178.15 179.08 2jjr h ILE 186 N 0.65 1.25 -0.26 -0.67 5.03 -1.18 -1.82 117.51 120.51 2jjr h ILE 186 Ca 0.15 -0.86 -0.09 0.00 -0.12 0.00 0.00 64.86 63.94 2jjr h ILE 186 Cb 0.33 0.48 -0.01 0.00 -3.03 0.00 0.00 36.82 34.58 2jjr h ILE 186 CO 0.00 0.34 -0.22 0.77 -0.68 0.00 0.00 178.15 178.36 2jjr h SER 187 N 1.03 0.48 -0.26 1.72 4.64 -0.91 0.85 113.55 121.10 2jjr h SER 187 Ca 0.23 -0.15 0.03 0.00 -0.47 0.00 0.00 61.79 61.42 2jjr h SER 187 Cb 0.28 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 2jjr h SER 187 CO -0.01 0.71 0.09 -0.07 -0.87 0.00 0.00 176.83 176.68 2jjr h LEU 188 N 0.43 0.10 -0.31 5.97 3.38 -1.02 -1.20 115.31 122.66 2jjr h LEU 188 Ca 0.07 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jjr h LEU 188 Cb 0.62 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2jjr h LEU 188 CO 0.04 0.09 0.19 -0.33 0.09 0.00 0.00 178.44 178.53 2jjr h GLU 189 N 0.21 0.42 0.00 1.13 5.08 -0.87 -2.69 114.58 117.87 2jjr h GLU 189 Ca 0.11 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2jjr h GLU 189 Cb 0.08 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2jjr h GLU 189 CO -0.11 0.33 -0.10 -0.91 -1.00 0.00 0.00 179.01 177.21 2jjr h ASN 190 N 0.40 0.00 -0.52 1.42 2.35 -0.73 -3.26 115.58 115.24 2jjr h ASN 190 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2jjr h ASN 190 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2jjr h ASN 190 CO -0.02 0.10 0.00 -1.20 -1.65 0.00 0.00 177.43 174.66 2jjr n SER 191 N -3.34 3.51 -0.07 5.81 7.64 -0.47 -4.73 113.62 121.97 2jjr n SER 191 Ca -0.01 -2.06 -0.08 0.00 1.01 0.00 0.00 58.87 57.73 2jjr n SER 191 Cb 0.30 -0.37 -0.01 0.00 -1.01 0.00 0.00 64.21 63.12 2jjr n SER 191 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 2jjr h TRP 192 N 3.08 0.18 -0.27 1.43 7.01 -1.56 -0.37 115.95 125.46 2jjr h TRP 192 Ca 0.00 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.05 2jjr h TRP 192 Cb 0.91 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.90 2jjr h TRP 192 CO 0.38 0.09 0.07 1.03 -2.79 0.00 0.00 178.44 177.22 2jjr h SER 193 N 0.23 0.06 -0.27 2.65 0.87 -1.88 -0.57 113.55 114.63 2jjr h SER 193 Ca 0.12 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 2jjr h SER 193 Cb 0.08 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2jjr h SER 193 CO -0.12 0.07 0.06 0.00 -0.53 0.00 0.00 176.83 176.31 2jjr h ALA 194 N 1.18 0.36 -0.57 6.23 0.00 -1.80 -0.65 119.26 124.00 2jjr h ALA 194 Ca 0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2jjr h ALA 194 Cb 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2jjr h ALA 194 CO -0.14 0.03 0.21 -0.07 0.00 0.00 0.00 179.25 179.27 2jjr h LEU 195 N 0.27 0.81 0.13 0.00 3.38 -1.03 -1.42 115.31 117.45 2jjr h LEU 195 Ca 0.09 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.88 2jjr h LEU 195 Cb 0.30 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2jjr h LEU 195 CO 0.00 0.78 -0.20 0.28 0.09 0.00 0.00 178.44 179.39 2jjr h SER 196 N 0.80 -0.56 -0.65 -0.43 0.02 -0.87 -0.44 113.55 111.42 2jjr h SER 196 Ca 0.19 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.27 2jjr h SER 196 Cb 0.24 0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.93 2jjr h SER 196 CO -0.01 -0.29 0.33 0.50 -1.14 0.00 0.00 176.83 176.22 2jjr h LYS 197 N -0.39 0.57 0.00 3.45 3.64 -0.99 -2.36 116.57 120.50 2jjr h LYS 197 Ca 0.02 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 2jjr h LYS 197 Cb 0.40 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2jjr h LYS 197 CO -0.10 0.38 -0.60 1.96 -2.27 0.00 0.00 179.45 178.82 2jjr h GLN 198 N 0.59 0.00 -0.24 1.90 1.08 -0.79 -1.83 115.11 115.82 2jjr h GLN 198 Ca 0.31 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.31 2jjr h GLN 198 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2jjr h GLN 198 CO -0.23 0.60 -0.62 0.82 -0.95 0.00 0.00 178.83 178.46 2jjr h ILE 199 N 0.00 1.28 -0.23 2.54 2.04 -0.88 0.20 117.51 122.46 2jjr h ILE 199 Ca -0.01 -1.82 -0.01 0.00 1.00 0.00 0.00 64.86 64.03 2jjr h ILE 199 Cb 1.08 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 2jjr h ILE 199 CO 0.08 0.58 0.11 1.56 0.00 0.00 0.00 178.15 180.48 2jjr h GLN 200 N 0.60 0.34 -0.28 2.37 4.20 -1.29 -2.65 115.11 118.40 2jjr h GLN 200 Ca -0.01 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.70 2jjr h GLN 200 Cb 1.22 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.90 2jjr h GLN 200 CO 0.13 0.35 0.03 0.82 -0.67 0.00 0.00 178.83 179.49 2jjr h ILE 201 N 0.25 0.84 -0.98 2.54 2.04 -1.27 -2.81 117.51 118.12 2jjr h ILE 201 Ca 0.08 -0.04 0.23 0.00 1.00 0.00 0.00 64.86 66.13 2jjr h ILE 201 Cb 0.12 0.70 -0.12 0.00 -0.74 0.00 0.00 36.82 36.78 2jjr h ILE 201 CO -0.01 0.02 0.55 0.00 0.00 0.00 0.00 178.15 178.72 2jjr h ALA 202 N 1.22 1.69 -0.36 1.87 0.00 -0.39 -0.74 119.26 122.54 2jjr h ALA 202 Ca 0.13 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2jjr h ALA 202 Cb 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2jjr h ALA 202 CO -0.19 -0.24 0.24 0.66 0.00 0.00 0.00 179.25 179.71 2jjr h SER 203 N 0.58 0.40 0.03 0.00 4.64 -1.20 0.24 113.55 118.24 2jjr h SER 203 Ca 0.61 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 2jjr h SER 203 Cb 1.12 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2jjr h SER 203 CO -0.47 0.29 -0.20 0.35 -0.87 0.00 0.00 176.83 175.93 2jjr n THR 204 N -4.48 0.00 -2.28 2.95 -2.24 -0.37 -4.47 114.28 103.39 2jjr n THR 204 Ca 0.02 -0.30 -0.05 0.00 -2.27 0.00 0.00 64.05 61.45 2jjr n THR 204 Cb 0.07 1.02 0.07 0.00 -2.10 0.00 0.00 70.33 69.39 2jjr n THR 204 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2jjr n ASN 205 N 0.30 2.50 -2.43 3.42 5.15 -0.70 -4.99 115.26 118.51 2jjr n ASN 205 Ca 0.13 -2.91 -0.20 0.00 -0.60 0.00 0.00 54.58 51.00 2jjr n ASN 205 Cb 0.46 -0.41 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 2jjr n ASN 205 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2jjr n ASN 206 N -0.52 -5.72 0.00 1.20 5.15 -1.08 -1.94 115.26 112.35 2jjr n ASN 206 Ca 0.20 -0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 2jjr n ASN 206 Cb 0.90 -4.69 0.00 0.00 -0.53 0.00 0.00 39.78 35.46 2jjr n ASN 206 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jjr n GLY 207 N -1.16 0.88 3.63 8.20 0.00 0.79 -5.05 105.19 112.48 2jjr n GLY 207 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 2jjr n GLY 207 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jjr s GLN 208 N -0.49 2.89 0.61 1.61 -1.52 -0.82 -1.65 119.66 120.30 2jjr s GLN 208 Ca 0.00 -0.48 -0.16 0.00 -1.95 0.00 0.00 55.36 52.77 2jjr s GLN 208 Cb 0.00 -2.70 -0.02 0.00 -0.22 0.00 0.00 33.01 30.06 2jjr s GLN 208 CO 0.00 0.67 1.09 -0.06 -0.25 0.00 0.00 175.29 176.74 2jjr s PHE 209 N -0.81 2.76 -0.05 0.91 0.40 0.60 -3.77 117.98 118.04 2jjr s PHE 209 Ca 0.12 1.54 0.03 0.00 -0.60 0.00 0.00 56.93 58.02 2jjr s PHE 209 Cb -0.11 -3.13 -0.25 0.00 0.51 0.00 0.00 43.02 40.04 2jjr s PHE 209 CO 0.02 -1.44 0.66 0.93 0.70 0.00 0.00 175.22 176.08 2jjr h GLU 210 N 0.42 0.14 -4.60 0.44 5.08 -1.87 -3.45 114.58 110.73 2jjr h GLU 210 Ca -0.47 -0.23 -0.56 0.00 -1.00 0.00 0.00 59.36 57.09 2jjr h GLU 210 Cb 1.24 0.09 -0.35 0.00 0.50 0.00 0.00 28.75 30.23 2jjr h GLU 210 CO 0.56 0.87 -0.82 -1.12 -1.00 0.00 0.00 179.01 177.50 2jjr s SER 211 N -6.61 2.29 0.73 1.42 0.01 -1.26 -5.14 113.70 105.15 2jjr s SER 211 Ca -0.10 -0.39 -0.15 0.00 1.31 0.00 0.00 55.95 56.62 2jjr s SER 211 Cb 0.07 -1.00 0.04 0.00 0.21 0.00 0.00 66.02 65.34 2jjr s SER 211 CO 0.82 -0.02 1.22 -2.84 0.41 0.00 0.00 173.24 172.83 2jjr s PRO 212 N 1.13 2.13 -0.14 12.44 0.02 -1.26 -4.94 135.00 144.37 2jjr s PRO 212 Ca -0.04 1.82 0.01 0.00 0.02 0.00 0.00 61.00 62.80 2jjr s PRO 212 Cb -0.14 -1.82 -0.01 0.00 0.02 0.00 0.00 34.50 32.55 2jjr s PRO 212 CO -0.03 -1.86 -0.16 0.08 -0.33 0.00 0.00 177.00 174.70 2jjr s VAL 213 N -1.90 2.71 -0.24 3.83 1.01 -0.08 -4.93 120.40 120.81 2jjr s VAL 213 Ca 0.76 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 2jjr s VAL 213 Cb -0.31 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2jjr s VAL 213 CO 0.45 0.53 0.37 -0.69 0.00 0.00 0.00 175.10 175.76 2jjr s VAL 214 N 0.55 5.19 0.50 2.92 1.01 -1.26 -0.14 120.40 129.17 2jjr s VAL 214 Ca -0.10 0.61 0.04 0.00 0.00 0.00 0.00 61.98 62.52 2jjr s VAL 214 Cb -0.16 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 2jjr s VAL 214 CO 0.04 0.20 0.14 -0.76 0.00 0.00 0.00 175.10 174.72 2jjr s LEU 215 N 1.73 2.57 -0.10 3.92 1.43 -0.24 -4.93 118.68 123.05 2jjr s LEU 215 Ca 0.16 -1.44 0.00 0.00 -1.03 0.00 0.00 54.13 51.83 2jjr s LEU 215 Cb -0.15 -0.97 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 2jjr s LEU 215 CO 0.09 -0.85 -0.11 -0.63 0.23 0.00 0.00 176.35 175.08 2jjr s ILE 216 N -2.80 3.29 0.77 -0.59 -1.09 -1.26 -0.64 121.20 118.89 2jjr s ILE 216 Ca 0.21 -0.60 -0.03 0.00 -2.23 0.00 0.00 60.65 58.00 2jjr s ILE 216 Cb 0.01 -2.36 0.15 0.00 -1.58 0.00 0.00 42.46 38.68 2jjr s ILE 216 CO 0.12 0.55 1.06 0.54 -1.23 0.00 0.00 174.94 175.98 2jjr s ASN 217 N -0.13 4.05 0.30 3.58 2.20 -0.27 -4.29 114.94 120.37 2jjr s ASN 217 Ca -0.00 -0.33 0.20 0.00 -0.94 0.00 0.00 52.86 51.79 2jjr s ASN 217 Cb -0.13 0.06 1.09 0.00 -2.00 0.00 0.00 41.25 40.27 2jjr s ASN 217 CO 0.03 -2.07 1.62 0.00 -2.94 0.00 0.00 177.10 173.74 2jjr n ALA 218 N -3.02 1.07 -0.42 3.54 0.00 -1.26 -0.90 120.51 119.52 2jjr n ALA 218 Ca 0.16 0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.88 2jjr n ALA 218 Cb 0.60 -1.30 0.30 0.00 0.00 0.00 0.00 19.45 19.06 2jjr n ALA 218 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jjr n GLN 219 N -2.21 3.02 -1.42 0.00 3.00 -1.26 -4.96 117.38 113.55 2jjr n GLN 219 Ca -0.01 -2.63 -0.14 0.00 -0.01 0.00 0.00 57.00 54.21 2jjr n GLN 219 Cb 0.04 -1.61 -0.06 0.00 0.00 0.00 0.00 30.24 28.61 2jjr n GLN 219 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2jjr n ASN 220 N 1.28 -4.63 -4.83 1.08 5.03 -0.08 -5.02 115.26 108.09 2jjr n ASN 220 Ca 0.23 0.33 -0.37 0.00 0.87 0.00 0.00 54.58 55.63 2jjr n ASN 220 Cb 0.67 -3.34 -0.06 0.00 -1.02 0.00 0.00 39.78 36.02 2jjr n ASN 220 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2jjr s GLN 221 N -3.19 3.84 0.10 3.52 -0.21 -1.26 -4.80 119.66 117.66 2jjr s GLN 221 Ca 0.00 0.22 -0.31 0.00 0.02 0.00 0.00 55.36 55.29 2jjr s GLN 221 Cb 0.00 -3.25 -0.09 0.00 1.00 0.00 0.00 33.01 30.67 2jjr s GLN 221 CO 0.00 0.64 1.70 1.03 -2.12 0.00 0.00 175.29 176.54 2jjr s ARG 222 N -0.80 4.18 0.05 2.91 0.52 -1.26 -1.11 118.95 123.43 2jjr s ARG 222 Ca 0.20 2.43 0.07 0.00 -0.52 0.00 0.00 55.73 57.91 2jjr s ARG 222 Cb -0.15 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 31.76 2jjr s ARG 222 CO 0.09 -0.76 -0.21 0.14 0.02 0.00 0.00 175.30 174.59 2jjr s VAL 223 N 2.47 1.66 -0.31 3.52 -7.23 0.18 -4.95 120.40 115.74 2jjr s VAL 223 Ca 0.76 -1.22 -0.10 0.00 -1.81 0.00 0.00 61.98 59.61 2jjr s VAL 223 Cb -0.42 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 2jjr s VAL 223 CO 0.33 0.18 0.16 -0.89 -0.31 0.00 0.00 175.10 174.58 2jjr s THR 224 N -0.83 4.77 -0.25 5.32 2.01 -1.26 -1.08 115.64 124.32 2jjr s THR 224 Ca 0.07 -0.30 -0.09 0.00 0.31 0.00 0.00 61.69 61.69 2jjr s THR 224 Cb -0.09 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 2jjr s THR 224 CO 0.02 0.10 0.12 -0.63 -0.69 0.00 0.00 174.62 173.53 2jjr s ILE 225 N 1.65 4.76 0.00 1.82 -1.09 0.81 -4.94 121.20 124.20 2jjr s ILE 225 Ca 0.05 -0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 2jjr s ILE 225 Cb -0.17 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 2jjr s ILE 225 CO 0.07 0.32 0.29 0.35 -1.23 0.00 0.00 174.94 174.74 2jjr n THR 226 N 4.80 0.04 -3.91 2.92 -2.24 -1.26 -0.90 114.28 113.73 2jjr n THR 226 Ca -0.15 -0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 61.27 2jjr n THR 226 Cb 0.52 1.45 -0.03 0.00 -2.10 0.00 0.00 70.33 70.17 2jjr n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jjr s ASN 227 N -0.04 -0.08 0.14 3.42 2.20 -1.26 -0.29 114.94 119.03 2jjr s ASN 227 Ca 0.00 -0.86 0.25 0.00 -0.94 0.00 0.00 52.86 51.30 2jjr s ASN 227 Cb 0.00 0.70 0.93 0.00 -2.00 0.00 0.00 41.25 40.88 2jjr s ASN 227 CO 0.00 -1.33 1.76 1.33 -2.94 0.00 0.00 177.10 175.92 2jjr n VAL 228 N -0.45 0.54 -0.00 3.54 0.24 -0.66 -3.11 118.33 118.42 2jjr n VAL 228 Ca -0.04 -0.03 0.01 0.00 -2.04 0.00 0.00 64.34 62.24 2jjr n VAL 228 Cb 0.60 -0.74 -0.11 0.00 -1.47 0.00 0.00 33.84 32.12 2jjr n VAL 228 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2jjr n ASP 229 N -1.96 0.48 -4.69 -1.34 8.00 -1.26 -4.01 116.55 111.77 2jjr n ASP 229 Ca 0.05 0.21 -0.55 0.00 0.71 0.00 0.00 54.79 55.21 2jjr n ASP 229 Cb 0.33 0.77 -0.06 0.00 -0.02 0.00 0.00 41.12 42.13 2jjr n ASP 229 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jjr n ALA 230 N -2.44 -0.03 -1.74 2.24 0.00 -1.18 -1.34 120.51 116.03 2jjr n ALA 230 Ca -0.13 0.38 -0.21 0.00 0.00 0.00 0.00 53.44 53.48 2jjr n ALA 230 Cb 0.84 -2.27 -0.07 0.00 0.00 0.00 0.00 19.45 17.95 2jjr n ALA 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jjr n GLY 231 N 4.02 1.54 3.19 0.00 0.00 -1.26 -2.45 105.19 110.23 2jjr n GLY 231 Ca 0.25 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 2jjr n GLY 231 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jjr n LYS 232 N -2.50 -2.90 0.20 1.61 5.02 -0.45 -4.85 118.16 114.29 2jjr n LYS 232 Ca -0.21 0.39 0.05 0.00 -2.02 0.00 0.00 58.31 56.52 2jjr n LYS 232 Cb 0.68 -5.04 0.43 0.00 -0.02 0.00 0.00 35.03 31.08 2jjr n LYS 232 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2jjr h VAL 233 N -0.66 1.05 0.00 -0.18 2.07 -1.69 -2.05 116.25 114.79 2jjr h VAL 233 Ca -0.36 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 65.98 2jjr h VAL 233 Cb 1.24 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 2jjr h VAL 233 CO 0.45 0.32 0.00 0.35 0.02 0.00 0.00 177.57 178.71 2jjr n THR 234 N -3.89 0.78 0.44 2.57 -2.24 -1.26 -1.84 114.28 108.85 2jjr n THR 234 Ca -0.02 0.13 0.12 0.00 -2.27 0.00 0.00 64.05 62.02 2jjr n THR 234 Cb 0.39 -1.03 0.22 0.00 -2.10 0.00 0.00 70.33 67.81 2jjr n THR 234 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jjr n SER 235 N -2.18 3.29 -0.04 3.42 3.41 -0.77 -4.54 113.62 116.21 2jjr n SER 235 Ca 0.03 -1.97 -0.05 0.00 -0.26 0.00 0.00 58.87 56.62 2jjr n SER 235 Cb 0.26 -0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 2jjr n SER 235 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2jjr n ASP 236 N 1.39 1.20 -4.64 4.04 -0.08 -0.78 -4.84 116.55 112.84 2jjr n ASP 236 Ca 0.19 0.20 -0.46 0.00 -1.51 0.00 0.00 54.79 53.21 2jjr n ASP 236 Cb 0.58 -0.58 -0.03 0.00 2.34 0.00 0.00 41.12 43.44 2jjr n ASP 236 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jjr n ILE 237 N -3.69 0.96 -0.11 5.18 3.06 -0.76 -1.11 119.36 122.87 2jjr n ILE 237 Ca -0.08 -0.24 0.00 0.00 -2.50 0.00 0.00 62.75 59.94 2jjr n ILE 237 Cb 0.28 -1.28 0.00 0.00 0.54 0.00 0.00 39.64 39.18 2jjr n ILE 237 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2jjr n ALA 238 N 1.75 1.64 -3.10 1.51 0.00 0.15 -4.86 120.51 117.61 2jjr n ALA 238 Ca 0.13 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 2jjr n ALA 238 Cb 0.29 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 2jjr n ALA 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jjr s LEU 239 N -0.83 1.46 -0.16 0.00 1.43 -1.24 -4.19 118.68 115.16 2jjr s LEU 239 Ca 0.00 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 2jjr s LEU 239 Cb 0.00 0.68 -0.01 0.00 0.03 0.00 0.00 46.19 46.88 2jjr s LEU 239 CO 0.00 -0.29 -0.10 -0.76 0.23 0.00 0.00 176.35 175.43 2jjr s LEU 240 N -0.96 2.79 0.13 1.79 1.43 0.03 -4.95 118.68 118.95 2jjr s LEU 240 Ca -0.10 -0.34 -0.31 0.00 -1.03 0.00 0.00 54.13 52.34 2jjr s LEU 240 Cb -0.06 -1.66 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 2jjr s LEU 240 CO 0.01 0.11 1.50 -0.22 0.23 0.00 0.00 176.35 177.98 2jjr s LEU 241 N 0.69 4.37 0.25 1.79 2.96 -1.26 -1.28 118.68 126.20 2jjr s LEU 241 Ca -0.05 2.48 -0.30 0.00 -0.22 0.00 0.00 54.13 56.04 2jjr s LEU 241 Cb -0.15 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.86 2jjr s LEU 241 CO 0.02 -0.76 1.35 0.21 -1.32 0.00 0.00 176.35 175.85 2jjr s ASN 242 N 1.28 6.79 0.64 3.68 3.84 -1.26 -4.52 114.94 125.38 2jjr s ASN 242 Ca 0.68 2.56 0.41 0.00 0.21 0.00 0.00 52.86 56.73 2jjr s ASN 242 Cb -0.40 -2.62 2.24 0.00 -0.55 0.00 0.00 41.25 39.91 2jjr s ASN 242 CO 0.31 -0.59 2.32 0.08 -2.79 0.00 0.00 177.10 176.43 2jjr h ARG 243 N 4.78 0.00 -0.19 0.43 0.11 -1.92 0.10 114.38 117.69 2jjr h ARG 243 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2jjr h ARG 243 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2jjr h ARG 243 CO 0.75 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.91 2jjr n ASN 244 N -3.21 1.13 -2.57 0.08 5.03 -1.26 -4.15 115.26 110.30 2jjr n ASN 244 Ca -0.03 -1.92 -0.14 0.00 0.87 0.00 0.00 54.58 53.37 2jjr n ASN 244 Cb 0.10 -0.13 0.02 0.00 -1.02 0.00 0.00 39.78 38.75 2jjr n ASN 244 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2jjr n ASN 245 N 0.08 2.72 -4.34 6.41 5.15 0.36 -4.92 115.26 120.72 2jjr n ASN 245 Ca 0.09 -2.98 -0.20 0.00 -0.60 0.00 0.00 54.58 50.89 2jjr n ASN 245 Cb 0.19 -0.48 -0.10 0.00 -0.53 0.00 0.00 39.78 38.86 2jjr n ASN 245 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2jjr s MET 246 N -3.40 1.57 0.00 1.20 -1.94 -1.25 -4.74 119.30 110.73 2jjr s MET 246 Ca 0.35 -1.87 0.00 0.00 -1.71 0.00 0.00 55.69 52.46 2jjr s MET 246 Cb 0.41 -0.55 0.00 0.00 2.01 0.00 0.00 34.83 36.70 2jjr s MET 246 CO -0.04 -0.27 0.00 0.00 -0.01 0.00 0.00 175.02 174.70