#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgg s ILE 3 N 0.00 2.79 0.39 -3.67 1.01 -1.26 -5.10 121.20 115.36 3kgg s ILE 3 Ca 0.00 -0.72 -0.27 0.00 0.00 0.00 0.00 60.65 59.66 3kgg s ILE 3 Cb 0.00 -2.20 -0.11 0.00 0.01 0.00 0.00 42.46 40.16 3kgg s ILE 3 CO 0.00 0.50 1.39 -0.81 0.00 0.00 0.00 174.94 176.02 3kgg n PRO 4 N 4.27 2.34 -4.70 2.79 -0.04 -1.26 -4.80 135.00 133.59 3kgg n PRO 4 Ca -0.19 0.82 -0.25 0.00 -0.04 0.00 0.00 63.50 63.85 3kgg n PRO 4 Cb 0.51 -2.53 -0.16 0.00 -0.04 0.00 0.00 33.50 31.29 3kgg n PRO 4 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kgg s VAL 5 N -1.14 1.25 0.13 0.52 1.01 -1.26 -1.58 120.40 119.33 3kgg s VAL 5 Ca 0.56 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 62.03 3kgg s VAL 5 Cb -0.50 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3kgg s VAL 5 CO 0.61 0.37 -0.12 0.27 0.00 0.00 0.00 175.10 176.24 3kgg s ILE 6 N 0.22 3.20 -0.61 2.22 -4.36 -0.63 -4.98 121.20 116.27 3kgg s ILE 6 Ca -0.07 -1.43 0.05 0.00 -0.26 0.00 0.00 60.65 58.94 3kgg s ILE 6 Cb -0.12 -2.52 0.19 0.00 1.25 0.00 0.00 42.46 41.26 3kgg s ILE 6 CO 0.02 0.05 0.49 -0.62 0.24 0.00 0.00 174.94 175.12 3kgg n GLU 7 N 0.54 1.45 -1.39 0.37 1.02 -1.26 -1.08 120.64 120.30 3kgg n GLU 7 Ca -0.13 -4.11 -0.30 0.00 -0.02 0.00 0.00 57.16 52.60 3kgg n GLU 7 Cb 0.53 -2.07 0.12 0.00 -0.02 0.00 0.00 31.44 30.00 3kgg n GLU 7 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3kgg s PRO 8 N -1.21 1.64 -0.16 3.49 0.04 -1.26 -4.98 135.00 132.55 3kgg s PRO 8 Ca 0.30 0.71 -0.29 0.00 0.04 0.00 0.00 61.00 61.75 3kgg s PRO 8 Cb 0.02 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.69 3kgg s PRO 8 CO -0.15 -1.95 1.06 -1.17 0.04 0.00 0.00 177.00 174.83 3kgg s LEU 9 N -6.00 4.18 -0.20 -3.56 2.96 -1.26 -5.01 118.68 109.80 3kgg s LEU 9 Ca 0.62 1.51 -0.09 0.00 -0.22 0.00 0.00 54.13 55.95 3kgg s LEU 9 Cb -0.16 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.93 3kgg s LEU 9 CO 0.55 -0.58 0.11 -0.36 -1.32 0.00 0.00 176.35 174.75 3kgg s PHE 10 N 2.65 3.34 -0.18 5.38 0.40 -1.26 -4.47 117.98 123.84 3kgg s PHE 10 Ca 0.48 0.22 -0.03 0.00 -0.60 0.00 0.00 56.93 57.00 3kgg s PHE 10 Cb -0.18 -2.14 -0.02 0.00 0.51 0.00 0.00 43.02 41.20 3kgg s PHE 10 CO 0.13 0.22 -0.06 0.99 0.70 0.00 0.00 175.22 177.19 3kgg s THR 11 N 0.42 3.45 0.23 0.64 2.01 -0.01 -4.91 115.64 117.47 3kgg s THR 11 Ca 0.06 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 3kgg s THR 11 Cb -0.12 -2.52 -0.10 0.00 0.01 0.00 0.00 72.50 69.78 3kgg s THR 11 CO -0.01 0.47 1.39 -0.75 -0.69 0.00 0.00 174.62 175.04 3kgg s LYS 12 N 0.83 4.31 -0.21 4.92 2.47 -1.26 -1.07 119.74 129.72 3kgg s LYS 12 Ca -0.02 2.21 -0.13 0.00 -1.56 0.00 0.00 55.97 56.47 3kgg s LYS 12 Cb -0.15 -3.14 -0.09 0.00 -1.46 0.00 0.00 37.83 32.99 3kgg s LYS 12 CO 0.01 -0.36 -0.30 0.28 0.16 0.00 0.00 175.35 175.14 3kgg n VAL 13 N 2.51 1.32 -3.57 4.02 0.31 0.95 -4.92 118.33 118.95 3kgg n VAL 13 Ca 0.07 -0.22 -0.10 0.00 -0.01 0.00 0.00 64.34 64.08 3kgg n VAL 13 Cb 0.41 -1.91 -0.02 0.00 -0.91 0.00 0.00 33.84 31.41 3kgg n VAL 13 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3kgg s THR 14 N -2.50 0.00 0.12 2.52 -1.32 -1.17 -4.60 115.64 108.68 3kgg s THR 14 Ca -0.31 -0.32 0.01 0.00 -1.21 0.00 0.00 61.69 59.86 3kgg s THR 14 Cb 0.11 -1.34 -0.00 0.00 -1.51 0.00 0.00 72.50 69.75 3kgg s THR 14 CO 0.40 0.00 0.13 -1.84 -2.21 0.00 0.00 174.62 171.10 3kgg n GLU 15 N -0.40 0.19 -3.06 7.08 0.28 -1.26 -0.75 120.64 122.72 3kgg n GLU 15 Ca -0.12 -1.12 -0.13 0.00 -0.16 0.00 0.00 57.16 55.63 3kgg n GLU 15 Cb 0.63 0.98 0.05 0.00 1.43 0.00 0.00 31.44 34.53 3kgg n GLU 15 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3kgg n ASP 16 N -2.29 -3.46 -3.86 -1.84 8.00 -0.83 -4.95 116.55 107.32 3kgg n ASP 16 Ca 0.02 -0.37 -0.30 0.00 0.71 0.00 0.00 54.79 54.85 3kgg n ASP 16 Cb 0.21 -3.42 -0.14 0.00 -0.02 0.00 0.00 41.12 37.76 3kgg n ASP 16 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kgg s ILE 17 N -3.22 1.99 -0.38 0.53 1.01 -0.49 -5.07 121.20 115.57 3kgg s ILE 17 Ca 0.19 -2.77 -0.41 0.00 0.00 0.00 0.00 60.65 57.67 3kgg s ILE 17 Cb -0.09 -2.41 -0.16 0.00 0.01 0.00 0.00 42.46 39.82 3kgg s ILE 17 CO 0.46 -0.80 1.95 -2.65 0.00 0.00 0.00 174.94 173.90 3kgg n PRO 18 N 3.55 0.72 -1.99 2.79 -0.02 -1.26 -0.84 135.00 137.96 3kgg n PRO 18 Ca 0.06 0.24 -0.14 0.00 -2.02 0.00 0.00 63.50 61.63 3kgg n PRO 18 Cb 0.35 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 3kgg n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kgg n GLY 19 N 5.61 0.33 1.85 -1.23 0.00 -1.26 -3.16 105.19 107.34 3kgg n GLY 19 Ca 0.38 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3kgg n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgg n ALA 20 N -0.72 -0.63 -3.83 4.61 0.00 -0.02 -4.35 120.51 115.57 3kgg n ALA 20 Ca -0.16 0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.43 3kgg n ALA 20 Cb 0.57 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 19.04 3kgg n ALA 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kgg n GLU 21 N 2.10 0.64 -4.10 0.00 -0.58 -0.55 -4.31 120.64 113.85 3kgg n GLU 21 Ca 0.16 -2.26 -0.36 0.00 -0.42 0.00 0.00 57.16 54.29 3kgg n GLU 21 Cb -0.03 2.26 -0.03 0.00 -0.57 0.00 0.00 31.44 33.07 3kgg n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kgg n GLY 22 N -0.48 -0.48 3.75 0.62 0.00 -1.13 -0.65 105.19 106.82 3kgg n GLY 22 Ca -0.01 0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 3kgg n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kgg s PRO 23 N -7.11 4.44 0.03 1.61 0.04 -1.26 -4.22 135.00 128.52 3kgg s PRO 23 Ca 0.22 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 63.07 3kgg s PRO 23 Cb -0.11 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.30 3kgg s PRO 23 CO 0.96 -0.13 0.49 0.54 0.04 0.00 0.00 177.00 178.90 3kgg s VAL 24 N -0.44 0.03 -0.09 -0.36 0.11 -0.24 -4.67 120.40 114.74 3kgg s VAL 24 Ca 0.52 -0.29 0.03 0.00 -2.93 0.00 0.00 61.98 59.31 3kgg s VAL 24 Cb -0.36 -0.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.54 3kgg s VAL 24 CO 0.42 -0.16 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.50 3kgg s PHE 25 N -2.14 2.66 0.35 1.54 0.08 -1.26 -0.87 117.98 118.33 3kgg s PHE 25 Ca -0.07 -0.57 -0.02 0.00 0.12 0.00 0.00 56.93 56.38 3kgg s PHE 25 Cb -0.01 -1.71 0.07 0.00 -0.57 0.00 0.00 43.02 40.80 3kgg s PHE 25 CO 0.01 -0.13 0.48 -0.40 -0.10 0.00 0.00 175.22 175.07 3kgg n ASP 26 N 3.05 0.41 0.27 1.36 5.68 -0.38 -4.74 116.55 122.20 3kgg n ASP 26 Ca -0.18 -1.40 0.18 0.00 -0.50 0.00 0.00 54.79 52.89 3kgg n ASP 26 Cb 0.52 -0.33 0.81 0.00 -1.14 0.00 0.00 41.12 40.98 3kgg n ASP 26 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3kgg h LYS 27 N 0.00 0.00 -0.02 0.11 1.57 -1.90 -1.86 116.57 114.48 3kgg h LYS 27 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3kgg h LYS 27 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3kgg h LYS 27 CO 0.15 0.00 -0.10 0.09 -0.57 0.00 0.00 179.45 179.02 3kgg n ASN 28 N -2.90 1.80 0.00 0.86 3.02 -1.26 -4.93 115.26 111.85 3kgg n ASN 28 Ca -0.00 -1.49 0.00 0.00 -0.03 0.00 0.00 54.58 53.05 3kgg n ASN 28 Cb 0.21 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 3kgg n ASN 28 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kgg n GLY 29 N 1.27 0.75 3.81 7.41 0.00 -0.70 -5.05 105.19 112.68 3kgg n GLY 29 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3kgg n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kgg s ASP 30 N -2.45 6.51 -0.15 1.61 1.01 -1.26 -4.77 116.67 117.16 3kgg s ASP 30 Ca 0.00 1.84 -0.05 0.00 0.71 0.00 0.00 52.55 55.05 3kgg s ASP 30 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 3kgg s ASP 30 CO 0.00 -0.66 0.01 0.12 0.21 0.00 0.00 175.17 174.85 3kgg s PHE 31 N -2.08 3.15 0.13 4.23 5.36 -1.26 -1.25 117.98 126.26 3kgg s PHE 31 Ca 0.65 -0.03 0.05 0.00 -0.96 0.00 0.00 56.93 56.64 3kgg s PHE 31 Cb -0.14 -1.97 -0.04 0.00 -0.34 0.00 0.00 43.02 40.53 3kgg s PHE 31 CO 0.19 0.16 -0.12 0.71 -1.46 0.00 0.00 175.22 174.70 3kgg s TYR 32 N 0.07 1.33 0.17 10.12 1.51 -0.05 -0.72 117.35 129.77 3kgg s TYR 32 Ca 0.03 -0.62 -0.12 0.00 -1.01 0.00 0.00 57.07 55.34 3kgg s TYR 32 Cb -0.13 -0.69 0.00 0.00 -0.11 0.00 0.00 41.96 41.04 3kgg s TYR 32 CO 0.02 0.12 0.36 0.96 -1.11 0.00 0.00 175.55 175.90 3kgg s ILE 33 N -2.55 0.05 0.19 2.71 -4.36 -0.50 -1.08 121.20 115.66 3kgg s ILE 33 Ca 0.11 -1.19 0.11 0.00 -0.26 0.00 0.00 60.65 59.42 3kgg s ILE 33 Cb -0.02 -1.75 -0.04 0.00 1.25 0.00 0.00 42.46 41.89 3kgg s ILE 33 CO 0.02 -0.24 -0.19 0.68 0.24 0.00 0.00 174.94 175.44 3kgg s VAL 34 N -3.94 2.61 -0.53 8.37 -7.23 0.17 -0.83 120.40 119.02 3kgg s VAL 34 Ca 0.14 -1.94 0.04 0.00 -1.81 0.00 0.00 61.98 58.41 3kgg s VAL 34 Cb 0.02 -2.27 0.14 0.00 0.56 0.00 0.00 36.38 34.83 3kgg s VAL 34 CO -0.01 -0.13 0.32 0.00 -0.31 0.00 0.00 175.10 174.97 3kgg s ALA 35 N -1.73 2.94 0.34 1.32 0.00 -0.10 -1.47 121.76 123.06 3kgg s ALA 35 Ca 0.23 -3.15 0.16 0.00 0.00 0.00 0.00 51.96 49.20 3kgg s ALA 35 Cb -0.08 -2.04 0.82 0.00 0.00 0.00 0.00 23.12 21.82 3kgg s ALA 35 CO 0.12 -2.05 1.84 -1.00 0.00 0.00 0.00 175.76 174.67 3kgg h PRO 36 N 6.23 0.00 -0.53 0.00 0.13 -1.57 -1.76 132.00 134.50 3kgg h PRO 36 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3kgg h PRO 36 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3kgg h PRO 36 CO 0.61 0.34 0.00 0.39 -0.23 0.00 0.00 178.00 179.11 3kgg n GLU 37 N -3.91 2.38 -2.33 0.86 1.02 -1.19 -4.35 120.64 113.12 3kgg n GLU 37 Ca -0.02 -1.61 -0.42 0.00 -0.02 0.00 0.00 57.16 55.09 3kgg n GLU 37 Cb 0.40 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 3kgg n GLU 37 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kgg s VAL 38 N -1.62 3.85 0.03 2.62 1.01 -1.23 -4.93 120.40 120.13 3kgg s VAL 38 Ca 0.29 1.29 0.04 0.00 0.00 0.00 0.00 61.98 63.61 3kgg s VAL 38 Cb 0.18 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 3kgg s VAL 38 CO 0.16 0.06 -0.13 -1.61 0.00 0.00 0.00 175.10 173.58 3kgg s GLU 39 N 1.56 0.93 -0.23 2.72 2.02 -1.26 -0.91 118.70 123.53 3kgg s GLU 39 Ca 0.61 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.94 3kgg s GLU 39 Cb -0.31 -0.92 0.05 0.00 0.10 0.00 0.00 34.13 33.05 3kgg s GLU 39 CO 0.28 0.23 -0.10 0.08 0.02 0.00 0.00 175.26 175.77 3kgg s VAL 40 N -0.71 1.81 -1.17 2.63 1.01 -0.32 -4.74 120.40 118.90 3kgg s VAL 40 Ca 0.02 -1.28 -0.04 0.00 0.00 0.00 0.00 61.98 60.68 3kgg s VAL 40 Cb -0.07 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.38 3kgg s VAL 40 CO 0.01 0.04 1.00 0.59 0.00 0.00 0.00 175.10 176.74 3kgg n ASN 41 N 4.59 -3.93 0.00 3.32 5.03 -1.26 -2.14 115.26 120.88 3kgg n ASN 41 Ca -0.14 -0.54 0.00 0.00 0.87 0.00 0.00 54.58 54.77 3kgg n ASN 41 Cb 0.44 -4.72 0.00 0.00 -1.02 0.00 0.00 39.78 34.48 3kgg n ASN 41 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kgg n GLY 42 N -1.49 0.67 3.76 7.41 0.00 -1.26 -4.98 105.19 109.31 3kgg n GLY 42 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 3kgg n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kgg s LYS 43 N -0.41 2.83 0.34 1.61 -0.14 -0.91 -5.08 119.74 117.98 3kgg s LYS 43 Ca 0.00 -0.73 -0.29 0.00 -1.36 0.00 0.00 55.97 53.59 3kgg s LYS 43 Cb 0.00 -2.69 -0.12 0.00 -1.68 0.00 0.00 37.83 33.34 3kgg s LYS 43 CO 0.00 0.55 1.47 -2.30 -0.76 0.00 0.00 175.35 174.32 3kgg n PRO 44 N 0.39 2.52 -2.71 -1.68 -0.02 -1.26 -1.17 135.00 131.07 3kgg n PRO 44 Ca -0.09 0.89 -0.03 0.00 -2.02 0.00 0.00 63.50 62.25 3kgg n PRO 44 Cb 0.52 -2.60 0.10 0.00 -0.02 0.00 0.00 33.50 31.50 3kgg n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kgg n ALA 45 N 1.01 2.54 -1.44 3.55 0.00 -0.09 -4.05 120.51 122.04 3kgg n ALA 45 Ca 0.05 -1.69 -0.37 0.00 0.00 0.00 0.00 53.44 51.43 3kgg n ALA 45 Cb 0.37 -0.88 0.07 0.00 0.00 0.00 0.00 19.45 19.00 3kgg n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kgg n GLY 46 N -0.98 -0.77 3.30 0.00 0.00 -0.42 -4.62 105.19 101.70 3kgg n GLY 46 Ca -0.06 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.53 3kgg n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kgg s GLU 47 N -2.87 1.22 -0.18 1.61 2.02 -0.66 -4.06 118.70 115.76 3kgg s GLU 47 Ca 0.72 -1.57 -0.00 0.00 0.02 0.00 0.00 54.97 54.14 3kgg s GLU 47 Cb -0.38 -0.71 0.01 0.00 0.10 0.00 0.00 34.13 33.15 3kgg s GLU 47 CO 0.51 0.02 -0.15 0.42 0.02 0.00 0.00 175.26 176.08 3kgg s ILE 48 N -3.30 2.49 0.12 -1.63 1.01 0.11 -0.92 121.20 119.08 3kgg s ILE 48 Ca 0.22 -0.80 0.09 0.00 0.00 0.00 0.00 60.65 60.16 3kgg s ILE 48 Cb 0.03 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 3kgg s ILE 48 CO 0.05 0.51 -0.20 -0.76 0.00 0.00 0.00 174.94 174.54 3kgg s LEU 49 N 1.25 2.63 -0.12 2.97 1.02 -0.01 -1.34 118.68 125.07 3kgg s LEU 49 Ca 0.03 -0.59 -0.03 0.00 0.02 0.00 0.00 54.13 53.56 3kgg s LEU 49 Cb -0.14 -1.49 -0.03 0.00 0.02 0.00 0.00 46.19 44.55 3kgg s LEU 49 CO -0.08 0.18 -0.00 -0.60 0.02 0.00 0.00 176.35 175.86 3kgg s ARG 50 N -2.12 3.34 -0.10 1.70 3.52 0.61 -1.41 118.95 124.48 3kgg s ARG 50 Ca 0.17 -0.44 0.02 0.00 -0.13 0.00 0.00 55.73 55.35 3kgg s ARG 50 Cb -0.10 -2.89 -0.02 0.00 -1.56 0.00 0.00 34.95 30.38 3kgg s ARG 50 CO 0.09 0.49 -0.15 0.42 -0.81 0.00 0.00 175.30 175.34 3kgg s ILE 51 N -0.30 2.91 -0.35 4.11 -1.09 0.10 -1.39 121.20 125.19 3kgg s ILE 51 Ca 0.06 -0.73 -0.26 0.00 -2.23 0.00 0.00 60.65 57.48 3kgg s ILE 51 Cb -0.12 -2.18 0.01 0.00 -1.58 0.00 0.00 42.46 38.59 3kgg s ILE 51 CO 0.02 0.55 0.95 -0.62 -1.23 0.00 0.00 174.94 174.61 3kgg s ASP 52 N 0.01 6.73 0.57 3.58 -1.08 -0.51 -4.27 116.67 121.70 3kgg s ASP 52 Ca -0.05 0.69 0.33 0.00 -0.52 0.00 0.00 52.55 53.00 3kgg s ASP 52 Cb -0.14 -2.48 1.73 0.00 -1.46 0.00 0.00 42.92 40.57 3kgg s ASP 52 CO 0.04 -0.85 2.15 -0.07 0.52 0.00 0.00 175.17 176.97 3kgg h LEU 53 N 10.04 0.00 0.21 -1.34 3.38 -1.95 0.68 115.31 126.33 3kgg h LEU 53 Ca -0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3kgg h LEU 53 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3kgg h LEU 53 CO 0.99 0.06 -0.10 0.11 0.09 0.00 0.00 178.44 179.58 3kgg h LYS 54 N 0.00 -0.27 0.00 1.13 1.57 -1.98 -3.39 116.57 113.64 3kgg h LYS 54 Ca -0.00 0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 3kgg h LYS 54 Cb 0.25 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 3kgg h LYS 54 CO 0.01 -0.18 -1.18 1.79 -0.57 0.00 0.00 179.45 179.32 3kgg h THR 55 N -0.63 0.75 0.00 -0.16 1.35 -1.97 -3.48 112.91 108.78 3kgg h THR 55 Ca -0.03 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 63.56 3kgg h THR 55 Cb 0.21 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 3kgg h THR 55 CO 0.05 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 3kgg n GLY 56 N 1.37 0.67 3.77 5.82 0.00 0.24 -5.03 105.19 112.02 3kgg n GLY 56 Ca -0.07 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 3kgg n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kgg s LYS 57 N -0.50 4.42 -0.07 1.61 1.02 -1.24 -4.72 119.74 120.27 3kgg s LYS 57 Ca 0.00 1.83 -0.04 0.00 0.02 0.00 0.00 55.97 57.78 3kgg s LYS 57 Cb 0.00 -2.98 -0.04 0.00 -0.52 0.00 0.00 37.83 34.29 3kgg s LYS 57 CO 0.00 0.01 0.12 0.15 -0.92 0.00 0.00 175.35 174.71 3kgg s LYS 58 N -1.80 3.32 -0.09 1.68 1.02 -1.26 -1.42 119.74 121.18 3kgg s LYS 58 Ca 0.49 -0.28 -0.02 0.00 0.02 0.00 0.00 55.97 56.19 3kgg s LYS 58 Cb -0.31 -3.06 0.03 0.00 -0.52 0.00 0.00 37.83 33.97 3kgg s LYS 58 CO 0.40 0.72 0.02 0.99 -0.92 0.00 0.00 175.35 176.56 3kgg s THR 59 N -1.12 0.31 -0.40 2.17 2.01 -0.48 -4.99 115.64 113.13 3kgg s THR 59 Ca 0.20 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 3kgg s THR 59 Cb -0.12 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.86 3kgg s THR 59 CO 0.10 0.16 1.09 -0.69 -0.69 0.00 0.00 174.62 174.59 3kgg s VAL 60 N 1.99 4.36 -0.47 3.82 1.01 -1.26 -0.29 120.40 129.56 3kgg s VAL 60 Ca 0.04 1.43 0.22 0.00 0.00 0.00 0.00 61.98 63.67 3kgg s VAL 60 Cb -0.13 -4.51 -0.21 0.00 0.00 0.00 0.00 36.38 31.53 3kgg s VAL 60 CO -0.06 -0.76 0.81 2.30 0.00 0.00 0.00 175.10 177.40 3kgg n ILE 61 N 6.38 0.11 -3.64 2.22 -5.35 -0.45 -4.96 119.36 113.66 3kgg n ILE 61 Ca 0.12 -0.30 -0.11 0.00 -0.27 0.00 0.00 62.75 62.19 3kgg n ILE 61 Cb 0.48 0.27 -0.07 0.00 -1.74 0.00 0.00 39.64 38.58 3kgg n ILE 61 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kgg s LYS 63 N 1.01 2.01 0.25 0.00 2.20 -1.26 -0.71 119.74 123.24 3kgg s LYS 63 Ca -0.05 -2.91 -0.30 0.00 -0.36 0.00 0.00 55.97 52.35 3kgg s LYS 63 Cb -0.05 -2.93 -0.14 0.00 -1.51 0.00 0.00 37.83 33.20 3kgg s LYS 63 CO -0.09 -1.28 1.13 -0.35 -0.36 0.00 0.00 175.35 174.40 3kgg n PRO 64 N 2.40 1.47 -3.63 4.03 -0.04 -1.26 -4.92 135.00 133.04 3kgg n PRO 64 Ca 0.19 0.52 -0.11 0.00 -0.04 0.00 0.00 63.50 64.06 3kgg n PRO 64 Cb 0.37 -1.98 -0.07 0.00 -0.04 0.00 0.00 33.50 31.78 3kgg n PRO 64 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3kgg s GLU 65 N -1.08 0.77 -0.14 0.54 2.12 -1.26 -1.86 118.70 117.78 3kgg s GLU 65 Ca 0.64 1.09 -0.01 0.00 0.36 0.00 0.00 54.97 57.05 3kgg s GLU 65 Cb -0.72 0.29 0.04 0.00 0.26 0.00 0.00 34.13 33.99 3kgg s GLU 65 CO 0.56 -0.12 -0.04 0.08 -0.54 0.00 0.00 175.26 175.21 3kgg s VAL 66 N 0.94 0.87 -1.49 3.70 1.01 -0.45 -4.82 120.40 120.16 3kgg s VAL 66 Ca -0.04 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 3kgg s VAL 66 Cb -0.05 -1.06 0.06 0.00 0.00 0.00 0.00 36.38 35.34 3kgg s VAL 66 CO -0.08 0.16 1.00 0.59 0.00 0.00 0.00 175.10 176.76 3kgg n ASN 67 N 4.97 -5.24 0.00 3.32 3.02 -1.26 -1.43 115.26 118.63 3kgg n ASN 67 Ca -0.11 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 3kgg n ASN 67 Cb 0.49 -4.17 0.00 0.00 -0.61 0.00 0.00 39.78 35.48 3kgg n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kgg n GLY 68 N -1.74 0.78 3.37 7.41 0.00 -1.26 -5.02 105.19 108.73 3kgg n GLY 68 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3kgg n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kgg s TYR 69 N -2.98 3.17 0.68 1.61 2.02 -0.51 -5.09 117.35 116.25 3kgg s TYR 69 Ca 0.00 -0.88 -0.13 0.00 -0.37 0.00 0.00 57.07 55.68 3kgg s TYR 69 Cb 0.00 -2.30 0.01 0.00 -0.40 0.00 0.00 41.96 39.27 3kgg s TYR 69 CO 0.00 -0.55 1.09 0.20 -1.57 0.00 0.00 175.55 174.71 3kgg s GLY 70 N 1.53 1.95 0.47 0.71 0.00 -1.26 -1.34 107.32 109.39 3kgg s GLY 70 Ca 0.03 0.37 0.08 0.00 0.00 0.00 0.00 44.72 45.20 3kgg s GLY 70 CO 0.04 0.70 0.65 -0.32 0.00 0.00 0.00 173.10 174.17 3kgg s GLY 71 N -3.02 1.88 -0.47 0.20 0.00 -0.78 -4.81 107.32 100.32 3kgg s GLY 71 Ca 0.63 -1.80 0.07 0.00 0.00 0.00 0.00 44.72 43.62 3kgg s GLY 71 CO 0.46 -1.53 0.56 1.39 0.00 0.00 0.00 173.10 173.98 3kgg n ILE 72 N -2.00 0.14 -1.79 0.90 5.41 -1.26 -1.30 119.36 119.46 3kgg n ILE 72 Ca 0.10 -4.30 -0.42 0.00 1.00 0.00 0.00 62.75 59.14 3kgg n ILE 72 Cb 0.60 -1.97 -0.03 0.00 -0.71 0.00 0.00 39.64 37.53 3kgg n ILE 72 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3kgg s PRO 73 N -1.40 4.14 0.00 0.38 0.04 -1.26 -0.84 135.00 136.05 3kgg s PRO 73 Ca 0.36 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.95 3kgg s PRO 73 Cb 0.14 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.61 3kgg s PRO 73 CO -0.10 -0.68 0.00 0.00 0.04 0.00 0.00 177.00 176.26 3kgg n ALA 74 N 3.34 1.10 -3.03 8.56 0.00 0.71 -3.35 120.51 127.84 3kgg n ALA 74 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.45 3kgg n ALA 74 Cb 0.37 0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.77 3kgg n ALA 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kgg s GLY 75 N -1.26 -0.01 0.05 0.00 0.00 -0.63 -2.86 107.32 102.62 3kgg s GLY 75 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 44.72 44.63 3kgg s GLY 75 CO 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 173.10 172.80 3kgg s GLN 77 N -3.46 0.45 -0.12 0.00 -1.52 -0.75 -4.78 119.66 109.48 3kgg s GLN 77 Ca 0.04 0.11 -0.08 0.00 -1.95 0.00 0.00 55.36 53.48 3kgg s GLN 77 Cb 0.04 0.21 -0.04 0.00 -0.22 0.00 0.00 33.01 33.00 3kgg s GLN 77 CO -0.08 -0.09 0.15 0.00 -0.25 0.00 0.00 175.29 175.02 3kgg s ASP 79 N -0.96 3.90 -0.21 0.00 2.15 -0.42 -4.04 116.67 117.09 3kgg s ASP 79 Ca 0.15 1.23 -0.16 0.00 0.43 0.00 0.00 52.55 54.20 3kgg s ASP 79 Cb -0.12 -1.90 -0.08 0.00 -0.30 0.00 0.00 42.92 40.51 3kgg s ASP 79 CO 0.04 -2.33 -0.32 -1.14 -0.17 0.00 0.00 175.17 171.25 3kgg n ARG 80 N -3.66 0.54 0.28 4.34 0.63 -1.26 -4.48 116.66 113.05 3kgg n ARG 80 Ca 0.07 0.26 0.16 0.00 -0.92 0.00 0.00 57.85 57.42 3kgg n ARG 80 Cb 0.57 -1.48 0.80 0.00 0.45 0.00 0.00 32.46 32.80 3kgg n ARG 80 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3kgg h ASP 81 N -1.00 0.00 -4.97 6.15 3.32 -1.94 -3.43 116.42 114.55 3kgg h ASP 81 Ca -0.23 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.64 3kgg h ASP 81 Cb 1.17 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.51 3kgg h ASP 81 CO -0.14 0.07 -0.70 0.00 -1.72 0.00 0.00 179.24 176.75 3kgg s ALA 82 N -4.00 0.18 -1.18 3.45 0.00 -1.26 -5.07 121.76 113.87 3kgg s ALA 82 Ca -0.02 -0.63 -0.15 0.00 0.00 0.00 0.00 51.96 51.16 3kgg s ALA 82 Cb 0.12 0.14 0.15 0.00 0.00 0.00 0.00 23.12 23.53 3kgg s ALA 82 CO 0.54 -0.15 1.45 1.21 0.00 0.00 0.00 175.76 178.80 3kgg s ASN 83 N -1.53 6.96 0.04 0.00 2.47 -1.26 -4.19 114.94 117.43 3kgg s ASN 83 Ca -0.15 -2.75 -0.02 0.00 0.42 0.00 0.00 52.86 50.37 3kgg s ASN 83 Cb -0.09 -2.43 -0.02 0.00 -1.45 0.00 0.00 41.25 37.25 3kgg s ASN 83 CO -0.01 -0.88 0.01 0.00 -3.72 0.00 0.00 177.10 172.50 3kgg s GLN 84 N 2.24 0.53 -0.10 0.43 -2.07 -1.26 -4.49 119.66 114.93 3kgg s GLN 84 Ca 0.43 -0.90 -0.04 0.00 -1.82 0.00 0.00 55.36 53.03 3kgg s GLN 84 Cb -0.02 0.19 -0.04 0.00 -1.09 0.00 0.00 33.01 32.06 3kgg s GLN 84 CO -0.00 -0.11 0.06 -0.51 -1.32 0.00 0.00 175.29 173.41 3kgg s LEU 85 N -2.27 3.94 -0.25 2.60 1.43 0.30 -1.31 118.68 123.12 3kgg s LEU 85 Ca -0.03 0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 53.27 3kgg s LEU 85 Cb 0.00 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3kgg s LEU 85 CO -0.06 0.38 0.11 -0.36 0.23 0.00 0.00 176.35 176.66 3kgg s PHE 86 N -0.90 3.17 -0.14 0.29 0.40 -0.06 0.42 117.98 121.16 3kgg s PHE 86 Ca 0.14 -0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.36 3kgg s PHE 86 Cb -0.12 -2.26 0.01 0.00 0.51 0.00 0.00 43.02 41.16 3kgg s PHE 86 CO 0.03 -0.19 -0.22 0.08 0.70 0.00 0.00 175.22 175.63 3kgg s VAL 87 N 1.43 2.12 -0.16 -0.44 1.01 0.94 -1.81 120.40 123.49 3kgg s VAL 87 Ca 0.06 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.80 3kgg s VAL 87 Cb -0.15 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 3kgg s VAL 87 CO 0.06 0.55 0.93 0.00 0.00 0.00 0.00 175.10 176.63 3kgg s ALA 88 N 0.77 3.51 -0.15 5.51 0.00 0.72 -0.80 121.76 131.31 3kgg s ALA 88 Ca -0.08 0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.07 3kgg s ALA 88 Cb -0.16 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.62 3kgg s ALA 88 CO -0.01 -0.70 -0.20 0.34 0.00 0.00 0.00 175.76 175.18 3kgg s ASP 89 N 1.14 3.03 0.66 0.00 -1.08 0.13 -0.21 116.67 120.35 3kgg s ASP 89 Ca 0.43 -0.59 0.44 0.00 -0.52 0.00 0.00 52.55 52.31 3kgg s ASP 89 Cb -0.17 -1.40 2.41 0.00 -1.46 0.00 0.00 42.92 42.30 3kgg s ASP 89 CO 0.13 0.05 2.36 0.24 0.52 0.00 0.00 175.17 178.47 3kgg h MET 90 N 7.51 0.00 0.00 4.34 2.86 0.28 -0.61 114.93 129.30 3kgg h MET 90 Ca -0.36 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.10 3kgg h MET 90 Cb 1.17 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.80 3kgg h MET 90 CO 0.57 0.00 -1.68 0.54 1.06 0.00 0.00 176.91 177.39 3kgg n ARG 91 N -3.06 1.70 0.00 1.72 5.12 -1.26 -4.17 116.66 116.71 3kgg n ARG 91 Ca -0.03 0.02 0.09 0.00 -1.93 0.00 0.00 57.85 56.00 3kgg n ARG 91 Cb 0.07 -1.25 0.06 0.00 -1.16 0.00 0.00 32.46 30.18 3kgg n ARG 91 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3kgg n LEU 92 N -2.53 2.32 0.00 0.55 4.77 -1.17 -0.63 117.00 120.32 3kgg n LEU 92 Ca -0.18 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 3kgg n LEU 92 Cb 0.79 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 3kgg n LEU 92 CO 0.18 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3kgg n GLY 93 N 1.03 1.68 3.39 -0.72 0.00 -0.36 -4.79 105.19 105.42 3kgg n GLY 93 Ca 0.10 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 3kgg n GLY 93 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kgg s LEU 94 N 0.00 2.86 0.14 0.99 2.96 -1.26 0.21 118.68 124.58 3kgg s LEU 94 Ca 0.00 -0.30 0.11 0.00 -0.22 0.00 0.00 54.13 53.72 3kgg s LEU 94 Cb 0.00 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 3kgg s LEU 94 CO 0.00 0.13 -0.26 -0.76 -1.32 0.00 0.00 176.35 174.14 3kgg s LEU 95 N 0.57 2.35 -0.21 -0.68 1.43 0.02 -0.66 118.68 121.50 3kgg s LEU 95 Ca -0.06 -0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 52.26 3kgg s LEU 95 Cb -0.15 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 44.87 3kgg s LEU 95 CO 0.03 0.17 -0.12 -0.69 0.23 0.00 0.00 176.35 175.97 3kgg s VAL 96 N -1.17 2.59 -0.11 -1.59 1.01 -0.60 -0.04 120.40 120.49 3kgg s VAL 96 Ca 0.15 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3kgg s VAL 96 Cb -0.10 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 3kgg s VAL 96 CO 0.07 0.40 -0.15 -0.69 0.00 0.00 0.00 175.10 174.73 3kgg s VAL 97 N 1.34 2.93 0.42 2.92 1.01 0.17 -1.54 120.40 127.66 3kgg s VAL 97 Ca 0.03 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 3kgg s VAL 97 Cb -0.15 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3kgg s VAL 97 CO -0.08 0.54 0.72 -1.10 0.00 0.00 0.00 175.10 175.18 3kgg s GLN 98 N 0.11 3.59 0.23 2.72 -1.52 0.67 -0.54 119.66 124.91 3kgg s GLN 98 Ca -0.07 0.16 0.22 0.00 -1.95 0.00 0.00 55.36 53.72 3kgg s GLN 98 Cb -0.15 -2.45 0.93 0.00 -0.22 0.00 0.00 33.01 31.13 3kgg s GLN 98 CO 0.05 -0.07 1.66 0.25 -0.25 0.00 0.00 175.29 176.92 3kgg n THR 99 N -1.84 0.90 1.63 -0.19 -2.24 -1.26 -1.48 114.28 109.80 3kgg n THR 99 Ca -0.00 0.30 0.14 0.00 -2.27 0.00 0.00 64.05 62.22 3kgg n THR 99 Cb 0.55 -1.22 0.63 0.00 -2.10 0.00 0.00 70.33 68.20 3kgg n THR 99 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kgg n ASP 100 N -2.13 1.08 0.00 3.42 5.68 -1.26 -4.91 116.55 118.43 3kgg n ASP 100 Ca 0.02 -1.37 0.00 0.00 -0.50 0.00 0.00 54.79 52.94 3kgg n ASP 100 Cb 0.19 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 3kgg n ASP 100 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kgg n GLY 101 N 1.12 0.32 3.81 6.12 0.00 -0.55 -4.98 105.19 111.03 3kgg n GLY 101 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 3kgg n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kgg s THR 102 N -2.11 4.08 0.22 2.61 -4.23 -1.26 -4.63 115.64 110.32 3kgg s THR 102 Ca 0.00 1.19 -0.10 0.00 -1.18 0.00 0.00 61.69 61.60 3kgg s THR 102 Cb 0.00 -3.52 -0.01 0.00 1.34 0.00 0.00 72.50 70.31 3kgg s THR 102 CO 0.00 -0.38 0.38 0.72 -0.54 0.00 0.00 174.62 174.80 3kgg s PHE 103 N -2.22 0.48 -0.08 3.99 -0.71 -1.26 -0.24 117.98 117.94 3kgg s PHE 103 Ca 0.64 -0.82 -0.06 0.00 -1.04 0.00 0.00 56.93 55.65 3kgg s PHE 103 Cb -0.13 0.02 0.03 0.00 -1.21 0.00 0.00 43.02 41.72 3kgg s PHE 103 CO 0.23 -0.87 0.21 -2.00 -1.34 0.00 0.00 175.22 171.45 3kgg s GLU 104 N -4.02 0.22 -0.21 1.99 2.12 -0.59 -4.99 118.70 113.22 3kgg s GLU 104 Ca 0.23 0.36 -0.26 0.00 0.36 0.00 0.00 54.97 55.66 3kgg s GLU 104 Cb 0.01 0.03 -0.00 0.00 0.26 0.00 0.00 34.13 34.43 3kgg s GLU 104 CO 0.07 -0.08 0.90 -2.00 -0.54 0.00 0.00 175.26 173.62 3kgg s GLU 105 N 0.50 4.26 0.07 4.30 2.12 -1.26 -1.56 118.70 127.13 3kgg s GLU 105 Ca -0.03 1.11 -0.20 0.00 0.36 0.00 0.00 54.97 56.21 3kgg s GLU 105 Cb -0.05 -3.61 -0.10 0.00 0.26 0.00 0.00 34.13 30.63 3kgg s GLU 105 CO -0.03 -0.48 1.55 0.82 -0.54 0.00 0.00 175.26 176.59 3kgg h ILE 106 N 5.34 1.22 -2.57 -3.70 1.08 -1.22 -3.47 117.51 114.18 3kgg h ILE 106 Ca -0.24 -0.70 -0.09 0.00 -0.39 0.00 0.00 64.86 63.43 3kgg h ILE 106 Cb 1.10 1.34 -0.20 0.00 -3.07 0.00 0.00 36.82 35.99 3kgg h ILE 106 CO 0.89 0.21 -0.07 0.00 -0.69 0.00 0.00 178.15 178.50 3kgg s ALA 107 N -5.21 -1.23 -0.37 1.87 0.00 -1.26 -5.01 121.76 110.55 3kgg s ALA 107 Ca -0.14 0.78 0.11 0.00 0.00 0.00 0.00 51.96 52.72 3kgg s ALA 107 Cb 0.07 0.02 -0.14 0.00 0.00 0.00 0.00 23.12 23.07 3kgg s ALA 107 CO 0.72 -0.31 0.41 1.63 0.00 0.00 0.00 175.76 178.20 3kgg n LYS 108 N 1.14 2.49 -3.82 0.00 5.02 -1.26 -4.70 118.16 117.04 3kgg n LYS 108 Ca -0.20 -0.03 -0.12 0.00 -2.02 0.00 0.00 58.31 55.94 3kgg n LYS 108 Cb 0.56 -1.09 -0.10 0.00 -0.02 0.00 0.00 35.03 34.39 3kgg n LYS 108 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kgg s LYS 109 N -2.26 0.52 0.19 1.97 1.02 -1.26 -0.91 119.74 119.01 3kgg s LYS 109 Ca 0.02 -0.23 -0.02 0.00 0.02 0.00 0.00 55.97 55.75 3kgg s LYS 109 Cb 0.08 0.23 0.04 0.00 -0.52 0.00 0.00 37.83 37.66 3kgg s LYS 109 CO 0.46 -0.13 0.26 -0.40 -0.92 0.00 0.00 175.35 174.62 3kgg n ASP 110 N 1.58 0.13 0.27 2.83 5.68 -0.25 -4.82 116.55 121.97 3kgg n ASP 110 Ca -0.21 -1.16 0.10 0.00 -0.50 0.00 0.00 54.79 53.02 3kgg n ASP 110 Cb 0.56 -0.19 0.70 0.00 -1.14 0.00 0.00 41.12 41.05 3kgg n ASP 110 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3kgg h SER 111 N -0.28 0.00 -0.29 -1.12 4.64 -0.25 -1.55 113.55 114.70 3kgg h SER 111 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3kgg h SER 111 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3kgg h SER 111 CO 0.07 0.02 0.00 -0.62 -0.87 0.00 0.00 176.83 175.43 3kgg n GLU 112 N -4.31 1.85 -0.94 4.77 -0.58 -1.26 -4.91 120.64 115.26 3kgg n GLU 112 Ca -0.03 -1.30 0.00 0.00 -0.42 0.00 0.00 57.16 55.41 3kgg n GLU 112 Cb 0.11 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 3kgg n GLU 112 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kgg n GLY 113 N 1.14 0.84 3.81 0.62 0.00 -0.58 -5.03 105.19 105.99 3kgg n GLY 113 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3kgg n GLY 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kgg s ARG 114 N -0.06 3.89 0.29 1.61 0.52 -1.26 -4.76 118.95 119.18 3kgg s ARG 114 Ca 0.00 1.23 -0.29 0.00 -0.52 0.00 0.00 55.73 56.15 3kgg s ARG 114 Cb 0.00 -2.12 -0.10 0.00 0.52 0.00 0.00 34.95 33.25 3kgg s ARG 114 CO 0.00 -0.33 1.37 1.03 0.02 0.00 0.00 175.30 177.39 3kgg s ARG 115 N -3.40 4.30 0.52 3.54 3.00 -1.26 -1.08 118.95 124.57 3kgg s ARG 115 Ca 0.64 2.27 -0.22 0.00 0.00 0.00 0.00 55.73 58.42 3kgg s ARG 115 Cb -0.13 -3.09 -0.06 0.00 0.00 0.00 0.00 34.95 31.67 3kgg s ARG 115 CO 0.21 -0.31 1.31 1.41 0.00 0.00 0.00 175.30 177.92 3kgg s MET 116 N -1.14 3.32 0.10 3.54 -2.45 -0.09 -4.76 119.30 117.82 3kgg s MET 116 Ca 0.54 2.12 0.02 0.00 -1.25 0.00 0.00 55.69 57.12 3kgg s MET 116 Cb -0.41 -2.31 -0.04 0.00 1.25 0.00 0.00 34.83 33.32 3kgg s MET 116 CO 0.49 -1.01 0.21 -0.65 1.05 0.00 0.00 175.02 175.12 3kgg s GLN 117 N -2.83 3.32 0.24 4.11 -0.21 -1.26 -1.24 119.66 121.79 3kgg s GLN 117 Ca 0.69 -0.56 -0.30 0.00 0.02 0.00 0.00 55.36 55.20 3kgg s GLN 117 Cb -0.37 -2.94 -0.10 0.00 1.00 0.00 0.00 33.01 30.59 3kgg s GLN 117 CO 0.45 0.56 1.50 0.20 -2.12 0.00 0.00 175.29 175.88 3kgg s GLY 118 N -2.80 2.11 0.26 3.09 0.00 0.36 -4.49 107.32 105.85 3kgg s GLY 118 Ca 0.34 1.39 0.06 0.00 0.00 0.00 0.00 44.72 46.51 3kgg s GLY 118 CO 0.27 2.42 0.29 0.00 0.00 0.00 0.00 173.10 176.08 3kgg n ASN 120 N -1.32 0.24 -4.09 0.00 2.85 -0.56 -1.37 115.26 111.01 3kgg n ASN 120 Ca -0.07 0.01 -0.10 0.00 -0.11 0.00 0.00 54.58 54.31 3kgg n ASN 120 Cb 0.58 -0.02 -0.09 0.00 1.24 0.00 0.00 39.78 41.49 3kgg n ASN 120 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3kgg s ASP 121 N -5.02 0.17 0.11 1.20 -1.08 -1.25 -1.60 116.67 109.20 3kgg s ASP 121 Ca -0.01 -1.11 -0.16 0.00 -0.52 0.00 0.00 52.55 50.75 3kgg s ASP 121 Cb 0.00 0.37 0.03 0.00 -1.46 0.00 0.00 42.92 41.87 3kgg s ASP 121 CO 0.01 -0.82 0.38 0.00 0.52 0.00 0.00 175.17 175.26 3kgg s ALA 123 N -3.59 -0.87 0.18 0.00 0.00 0.66 -4.75 121.76 113.38 3kgg s ALA 123 Ca 0.02 1.26 -0.19 0.00 0.00 0.00 0.00 51.96 53.05 3kgg s ALA 123 Cb 0.02 -0.77 -0.08 0.00 0.00 0.00 0.00 23.12 22.29 3kgg s ALA 123 CO -0.10 -0.22 0.68 -0.06 0.00 0.00 0.00 175.76 176.05 3kgg s PHE 124 N 1.09 3.70 0.51 0.00 0.08 -1.26 -0.18 117.98 121.91 3kgg s PHE 124 Ca -0.07 1.35 0.05 0.00 0.12 0.00 0.00 56.93 58.37 3kgg s PHE 124 Cb -0.08 -2.58 0.03 0.00 -0.57 0.00 0.00 43.02 39.83 3kgg s PHE 124 CO -0.09 0.41 0.70 0.16 -0.10 0.00 0.00 175.22 176.31 3kgg s ASP 125 N -1.51 5.37 0.00 1.36 1.47 -0.29 -4.74 116.67 118.32 3kgg s ASP 125 Ca 0.39 -0.28 0.10 0.00 1.18 0.00 0.00 52.55 53.93 3kgg s ASP 125 Cb -0.18 -0.62 0.49 0.00 -0.34 0.00 0.00 42.92 42.27 3kgg s ASP 125 CO 0.21 -1.04 1.20 -1.22 0.68 0.00 0.00 175.17 175.00 3kgg n TYR 126 N -2.15 0.00 1.14 2.11 4.01 -1.26 -1.64 117.16 119.37 3kgg n TYR 126 Ca 0.09 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.95 3kgg n TYR 126 Cb 0.60 -0.29 0.22 0.00 -0.31 0.00 0.00 39.34 39.56 3kgg n TYR 126 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3kgg n GLU 127 N -1.29 0.94 -0.16 -0.72 1.02 -1.26 -4.94 120.64 114.23 3kgg n GLU 127 Ca 0.05 -0.66 0.00 0.00 -0.02 0.00 0.00 57.16 56.52 3kgg n GLU 127 Cb 0.08 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3kgg n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kgg n GLY 128 N 1.38 0.78 3.79 0.62 0.00 -0.65 -4.90 105.19 106.20 3kgg n GLY 128 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3kgg n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kgg s ASN 129 N -2.42 7.29 -0.26 1.61 0.01 -1.26 -4.43 114.94 115.47 3kgg s ASN 129 Ca 0.00 1.57 -0.08 0.00 -0.71 0.00 0.00 52.86 53.64 3kgg s ASN 129 Cb 0.00 -2.47 -0.02 0.00 0.41 0.00 0.00 41.25 39.17 3kgg s ASN 129 CO 0.00 0.17 0.09 -0.22 -1.51 0.00 0.00 177.10 175.63 3kgg s LEU 130 N -1.35 3.60 -0.16 0.60 2.96 -0.36 -1.14 118.68 122.84 3kgg s LEU 130 Ca 0.37 -0.30 -0.14 0.00 -0.22 0.00 0.00 54.13 53.83 3kgg s LEU 130 Cb -0.21 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 3kgg s LEU 130 CO 0.24 -0.08 0.31 0.26 -1.32 0.00 0.00 176.35 175.76 3kgg s TRP 131 N 1.61 3.46 -0.02 5.38 0.52 0.75 -0.04 118.94 130.59 3kgg s TRP 131 Ca 0.06 0.61 0.04 0.00 0.02 0.00 0.00 56.10 56.83 3kgg s TRP 131 Cb -0.16 -2.36 -0.01 0.00 -1.15 0.00 0.00 33.47 29.80 3kgg s TRP 131 CO 0.04 0.23 -0.13 0.42 0.02 0.00 0.00 176.95 177.53 3kgg s ILE 132 N 0.49 1.08 0.06 2.03 1.01 0.32 -0.25 121.20 125.94 3kgg s ILE 132 Ca 0.17 -0.56 -0.07 0.00 0.00 0.00 0.00 60.65 60.19 3kgg s ILE 132 Cb -0.13 -0.92 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 3kgg s ILE 132 CO 0.04 0.31 0.33 0.42 0.00 0.00 0.00 174.94 176.05 3kgg s THR 133 N -0.11 5.21 -0.39 2.92 -4.23 -0.36 -0.25 115.64 118.43 3kgg s THR 133 Ca 0.01 0.21 0.02 0.00 -1.18 0.00 0.00 61.69 60.75 3kgg s THR 133 Cb -0.07 -3.61 0.15 0.00 1.34 0.00 0.00 72.50 70.31 3kgg s THR 133 CO 0.00 0.27 0.27 0.00 -0.54 0.00 0.00 174.62 174.62 3kgg s ALA 134 N -1.41 1.30 -0.74 3.99 0.00 0.10 -1.50 121.76 123.51 3kgg s ALA 134 Ca 0.32 -2.21 0.26 0.00 0.00 0.00 0.00 51.96 50.33 3kgg s ALA 134 Cb -0.13 -1.64 0.74 0.00 0.00 0.00 0.00 23.12 22.08 3kgg s ALA 134 CO 0.19 -2.05 1.69 -0.35 0.00 0.00 0.00 175.76 175.23 3kgg n PRO 135 N 3.49 0.25 -2.32 0.00 -0.04 -1.22 -0.75 135.00 134.41 3kgg n PRO 135 Ca 0.18 0.17 -0.25 0.00 -0.04 0.00 0.00 63.50 63.56 3kgg n PRO 135 Cb 0.41 -1.75 0.09 0.00 -0.04 0.00 0.00 33.50 32.20 3kgg n PRO 135 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kgg s ALA 136 N -3.10 3.28 0.72 0.55 0.00 -1.10 -0.29 121.76 121.80 3kgg s ALA 136 Ca 0.10 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.87 3kgg s ALA 136 Cb 0.13 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.83 3kgg s ALA 136 CO 0.62 -1.38 0.00 0.41 0.00 0.00 0.00 175.76 175.41 3kgg n GLY 137 N -2.92 0.26 3.66 0.00 0.00 0.06 -4.01 105.19 102.25 3kgg n GLY 137 Ca 0.10 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 3kgg n GLY 137 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kgg n GLU 138 N 0.00 1.09 -1.21 1.61 1.02 -1.26 -0.49 120.64 121.40 3kgg n GLU 138 Ca 0.00 0.42 -0.29 0.00 -0.02 0.00 0.00 57.16 57.27 3kgg n GLU 138 Cb 0.00 -2.32 0.16 0.00 -0.02 0.00 0.00 31.44 29.26 3kgg n GLU 138 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3kgg s VAL 139 N -1.44 2.24 0.67 2.62 -7.23 -0.38 -4.58 120.40 112.31 3kgg s VAL 139 Ca 0.77 0.08 -0.17 0.00 -1.81 0.00 0.00 61.98 60.85 3kgg s VAL 139 Cb -0.41 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 33.90 3kgg s VAL 139 CO 0.46 -0.10 0.68 0.00 -0.31 0.00 0.00 175.10 175.83 3kgg n ALA 140 N -4.07 -0.93 1.79 1.32 0.00 0.20 -1.64 120.51 117.19 3kgg n ALA 140 Ca 0.06 -0.15 0.03 0.00 0.00 0.00 0.00 53.44 53.38 3kgg n ALA 140 Cb 0.57 -1.94 0.15 0.00 0.00 0.00 0.00 19.45 18.23 3kgg n ALA 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3kgg n PRO 141 N -0.86 1.16 -1.51 0.00 -0.04 -1.26 -5.01 135.00 127.48 3kgg n PRO 141 Ca 0.12 -0.25 -0.34 0.00 -0.04 0.00 0.00 63.50 62.98 3kgg n PRO 141 Cb 0.49 -1.12 0.09 0.00 -0.04 0.00 0.00 33.50 32.92 3kgg n PRO 141 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kgg s ALA 142 N -1.92 2.18 0.26 0.55 0.00 -0.65 -4.91 121.76 117.27 3kgg s ALA 142 Ca 0.11 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 3kgg s ALA 142 Cb 0.05 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 3kgg s ALA 142 CO 0.08 -1.78 1.55 0.34 0.00 0.00 0.00 175.76 175.95 3kgg s ASP 143 N -1.99 6.49 0.16 0.00 -1.08 -1.26 -4.87 116.67 114.12 3kgg s ASP 143 Ca 0.75 2.82 -0.31 0.00 -0.52 0.00 0.00 52.55 55.28 3kgg s ASP 143 Cb -0.29 -2.62 -0.09 0.00 -1.46 0.00 0.00 42.92 38.45 3kgg s ASP 143 CO 0.44 -0.84 1.44 -0.47 0.52 0.00 0.00 175.17 176.25 3kgg s TYR 144 N 0.23 3.15 0.10 -5.34 5.04 -1.26 -4.74 117.35 114.53 3kgg s TYR 144 Ca 0.64 0.91 -0.14 0.00 -2.44 0.00 0.00 57.07 56.04 3kgg s TYR 144 Cb -0.46 -3.77 0.02 0.00 0.35 0.00 0.00 41.96 38.11 3kgg s TYR 144 CO 0.43 -2.66 0.34 -0.08 -1.34 0.00 0.00 175.55 172.24 3kgg s THR 145 N 0.78 0.09 -0.01 4.34 -1.32 -1.26 -5.02 115.64 113.23 3kgg s THR 145 Ca 0.64 -0.72 -0.02 0.00 -1.21 0.00 0.00 61.69 60.37 3kgg s THR 145 Cb -0.40 -1.16 0.00 0.00 -1.51 0.00 0.00 72.50 69.43 3kgg s THR 145 CO 0.34 -0.40 0.05 0.00 -2.21 0.00 0.00 174.62 172.40 3kgg s ARG 146 N -3.55 0.17 0.00 7.08 1.70 -1.26 -0.76 118.95 122.33 3kgg s ARG 146 Ca 0.02 -0.10 -0.02 0.00 -0.47 0.00 0.00 55.73 55.16 3kgg s ARG 146 Cb 0.02 0.07 -0.07 0.00 -0.57 0.00 0.00 34.95 34.40 3kgg s ARG 146 CO -0.10 -0.03 2.03 -1.13 -1.08 0.00 0.00 175.30 174.99 3kgg n SER 147 N 2.59 4.15 0.16 -2.89 3.41 0.60 -4.37 113.62 117.26 3kgg n SER 147 Ca -0.16 -2.16 0.02 0.00 -0.26 0.00 0.00 58.87 56.32 3kgg n SER 147 Cb 0.58 -0.96 0.23 0.00 -0.26 0.00 0.00 64.21 63.81 3kgg n SER 147 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 3kgg h MET 148 N 2.33 0.00 0.00 4.33 -1.53 -1.90 -1.31 114.93 116.85 3kgg h MET 148 Ca 0.05 0.00 -0.08 0.00 -3.44 0.00 0.00 59.70 56.23 3kgg h MET 148 Cb 0.92 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.96 3kgg h MET 148 CO 0.10 0.51 -1.23 1.04 0.14 0.00 0.00 176.91 177.47 3kgg n GLN 149 N -3.65 0.11 -2.85 0.39 6.02 -1.26 -4.86 117.38 111.28 3kgg n GLN 149 Ca -0.01 0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.71 3kgg n GLN 149 Cb 0.58 -0.68 -0.05 0.00 1.02 0.00 0.00 30.24 31.10 3kgg n GLN 149 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3kgg s GLU 150 N -2.10 4.02 -1.17 -1.09 2.02 -1.26 -5.00 118.70 114.12 3kgg s GLU 150 Ca -0.07 0.82 -0.08 0.00 0.02 0.00 0.00 54.97 55.65 3kgg s GLU 150 Cb 0.03 -2.29 0.24 0.00 0.10 0.00 0.00 34.13 32.20 3kgg s GLU 150 CO 0.09 -0.02 1.50 1.63 0.02 0.00 0.00 175.26 178.48 3kgg n LYS 151 N -0.85 3.85 -0.07 1.61 5.02 -1.26 -4.52 118.16 121.93 3kgg n LYS 151 Ca 0.05 -4.13 0.04 0.00 -2.02 0.00 0.00 58.31 52.25 3kgg n LYS 151 Cb 0.54 -2.73 0.06 0.00 -0.02 0.00 0.00 35.03 32.88 3kgg n LYS 151 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 3kgg n PHE 152 N 3.09 0.00 -2.45 2.13 1.16 -1.13 -3.99 117.46 116.27 3kgg n PHE 152 Ca 0.31 -0.65 -0.40 0.00 -1.87 0.00 0.00 57.45 54.84 3kgg n PHE 152 Cb 0.37 -0.09 -0.04 0.00 -1.61 0.00 0.00 39.48 38.11 3kgg n PHE 152 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 3kgg s GLY 153 N -1.76 3.05 0.40 4.97 0.00 0.43 -4.64 107.32 109.77 3kgg s GLY 153 Ca 0.14 0.92 0.06 0.00 0.00 0.00 0.00 44.72 45.84 3kgg s GLY 153 CO 0.01 1.54 0.02 -0.56 0.00 0.00 0.00 173.10 174.12 3kgg s SER 154 N -0.81 3.53 -0.06 1.64 0.01 0.07 -0.93 113.70 117.14 3kgg s SER 154 Ca 0.45 -1.40 0.04 0.00 1.31 0.00 0.00 55.95 56.34 3kgg s SER 154 Cb -0.32 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.68 3kgg s SER 154 CO 0.42 -0.53 -0.18 -0.63 0.41 0.00 0.00 173.24 172.72 3kgg s ILE 155 N -2.87 1.55 0.27 1.44 -1.09 -0.09 0.03 121.20 120.44 3kgg s ILE 155 Ca 0.33 -0.75 0.11 0.00 -2.23 0.00 0.00 60.65 58.10 3kgg s ILE 155 Cb 0.09 -1.35 -0.05 0.00 -1.58 0.00 0.00 42.46 39.57 3kgg s ILE 155 CO 0.16 0.45 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.84 3kgg s TYR 156 N 0.27 2.17 -0.08 3.97 1.51 0.66 -0.90 117.35 124.95 3kgg s TYR 156 Ca -0.11 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.53 3kgg s TYR 156 Cb -0.14 -1.01 0.03 0.00 -0.11 0.00 0.00 41.96 40.73 3kgg s TYR 156 CO 0.04 0.61 -0.03 0.00 -1.11 0.00 0.00 175.55 175.06 3kgg s PHE 158 N 1.77 3.27 0.77 0.00 5.36 0.94 -1.45 117.98 128.64 3kgg s PHE 158 Ca 0.03 -1.20 -0.11 0.00 -0.96 0.00 0.00 56.93 54.70 3kgg s PHE 158 Cb -0.13 -3.38 0.05 0.00 -0.34 0.00 0.00 43.02 39.23 3kgg s PHE 158 CO -0.06 -0.89 1.08 0.95 -1.46 0.00 0.00 175.22 174.85 3kgg s THR 159 N 1.58 3.40 0.60 0.12 -4.23 -0.50 -1.23 115.64 115.39 3kgg s THR 159 Ca 0.04 0.46 0.39 0.00 -1.18 0.00 0.00 61.69 61.39 3kgg s THR 159 Cb -0.26 -3.01 0.41 0.00 1.34 0.00 0.00 72.50 70.98 3kgg s THR 159 CO 0.04 -0.59 2.31 0.71 -0.54 0.00 0.00 174.62 176.54 3kgg h THR 160 N -1.08 0.19 -0.48 3.99 1.35 -1.91 -1.15 112.91 113.83 3kgg h THR 160 Ca -0.44 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3kgg h THR 160 Cb 1.23 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3kgg h THR 160 CO 0.53 0.01 0.00 -0.90 -0.25 0.00 0.00 175.52 174.91 3kgg n ASP 161 N -3.35 4.88 -0.01 5.36 5.75 -1.26 -4.94 116.55 122.99 3kgg n ASP 161 Ca -0.03 -2.75 -0.00 0.00 -0.01 0.00 0.00 54.79 52.00 3kgg n ASP 161 Cb 0.09 -0.65 -0.00 0.00 -1.03 0.00 0.00 41.12 39.54 3kgg n ASP 161 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kgg n GLY 162 N 0.55 0.46 3.78 6.12 0.00 -0.43 -5.05 105.19 110.62 3kgg n GLY 162 Ca 0.23 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3kgg n GLY 162 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kgg s GLN 163 N -0.79 4.18 -0.49 1.61 -1.52 -1.25 -4.89 119.66 116.50 3kgg s GLN 163 Ca 0.00 0.49 -0.13 0.00 -1.95 0.00 0.00 55.36 53.78 3kgg s GLN 163 Cb 0.00 -3.33 0.11 0.00 -0.22 0.00 0.00 33.01 29.57 3kgg s GLN 163 CO 0.00 0.43 0.40 1.41 -0.25 0.00 0.00 175.29 177.27 3kgg s MET 164 N -0.27 2.76 -0.21 2.91 -2.45 -1.26 -1.40 119.30 119.38 3kgg s MET 164 Ca 0.26 -1.64 -0.04 0.00 -1.25 0.00 0.00 55.69 53.02 3kgg s MET 164 Cb -0.16 -4.07 -0.01 0.00 1.25 0.00 0.00 34.83 31.83 3kgg s MET 164 CO 0.13 -1.18 -0.04 0.42 1.05 0.00 0.00 175.02 175.40 3kgg s ILE 165 N 1.50 3.47 -0.15 10.11 1.01 -0.53 0.54 121.20 137.14 3kgg s ILE 165 Ca 0.04 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 59.93 3kgg s ILE 165 Cb -0.27 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 3kgg s ILE 165 CO 0.02 0.43 1.29 -1.58 0.00 0.00 0.00 174.94 175.10 3kgg s GLN 166 N 1.31 4.23 0.03 2.79 0.74 -1.26 -0.93 119.66 126.57 3kgg s GLN 166 Ca 0.04 1.70 0.22 0.00 0.05 0.00 0.00 55.36 57.37 3kgg s GLN 166 Cb -0.14 -3.78 -0.22 0.00 1.10 0.00 0.00 33.01 29.97 3kgg s GLN 166 CO -0.02 -0.71 0.68 1.33 -0.55 0.00 0.00 175.29 176.03 3kgg n VAL 167 N 5.36 0.14 -3.56 1.34 0.24 -0.08 -4.96 118.33 116.80 3kgg n VAL 167 Ca 0.14 -0.44 -0.06 0.00 -2.04 0.00 0.00 64.34 61.94 3kgg n VAL 167 Cb 0.45 0.04 -0.02 0.00 -1.47 0.00 0.00 33.84 32.84 3kgg n VAL 167 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kgg s ASP 168 N -4.49 -0.24 0.00 -1.34 2.15 -1.20 -4.97 116.67 106.59 3kgg s ASP 168 Ca -0.04 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 52.92 3kgg s ASP 168 Cb 0.13 0.26 0.00 0.00 -0.30 0.00 0.00 42.92 43.02 3kgg s ASP 168 CO 0.87 -0.43 0.00 1.07 -0.17 0.00 0.00 175.17 176.51 3kgg n THR 169 N -0.19 0.00 -2.04 1.71 5.66 -1.26 -0.91 114.28 117.25 3kgg n THR 169 Ca -0.04 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.89 3kgg n THR 169 Cb 0.60 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.38 3kgg n THR 169 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kgg n ALA 170 N -3.00 -0.18 -2.67 1.79 0.00 -0.86 -4.93 120.51 110.66 3kgg n ALA 170 Ca 0.00 0.06 -0.32 0.00 0.00 0.00 0.00 53.44 53.18 3kgg n ALA 170 Cb 0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.38 3kgg n ALA 170 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3kgg s PHE 171 N -2.32 3.49 -0.94 0.00 0.08 -0.11 -4.74 117.98 113.44 3kgg s PHE 171 Ca 0.00 0.58 -0.13 0.00 0.12 0.00 0.00 56.93 57.50 3kgg s PHE 171 Cb 0.00 -2.02 0.23 0.00 -0.57 0.00 0.00 43.02 40.66 3kgg s PHE 171 CO 0.00 0.45 0.93 -1.14 -0.10 0.00 0.00 175.22 175.36 3kgg s GLN 172 N -2.54 3.82 -0.57 0.44 0.74 -1.26 -0.42 119.66 119.86 3kgg s GLN 172 Ca 0.40 -2.65 -0.00 0.00 0.05 0.00 0.00 55.36 53.15 3kgg s GLN 172 Cb -0.12 -4.54 -0.00 0.00 1.10 0.00 0.00 33.01 29.45 3kgg s GLN 172 CO 0.24 -1.33 0.53 0.34 -0.55 0.00 0.00 175.29 174.51 3kgg n PHE 173 N 3.85 -2.22 -2.13 1.67 -0.00 -0.50 -4.20 117.46 113.93 3kgg n PHE 173 Ca 0.19 0.84 -0.41 0.00 -0.00 0.00 0.00 57.45 58.07 3kgg n PHE 173 Cb 0.45 -3.48 -0.03 0.00 -0.00 0.00 0.00 39.48 36.42 3kgg n PHE 173 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 3kgg s PRO 174 N -3.05 4.34 0.00 -7.13 0.04 -1.26 -2.83 135.00 125.11 3kgg s PRO 174 Ca 0.02 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.21 3kgg s PRO 174 Cb -0.00 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.38 3kgg s PRO 174 CO 0.56 -0.32 0.00 -1.71 0.04 0.00 0.00 177.00 175.58 3kgg n ASN 175 N 2.48 0.00 -4.73 6.66 2.85 0.13 -4.07 115.26 118.57 3kgg n ASN 175 Ca 0.06 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.21 3kgg n ASN 175 Cb 0.42 0.00 0.11 0.00 1.24 0.00 0.00 39.78 41.54 3kgg n ASN 175 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3kgg s GLY 176 N -0.16 1.90 -0.14 8.20 0.00 -0.20 -4.22 107.32 112.69 3kgg s GLY 176 Ca 0.00 0.53 -0.20 0.00 0.00 0.00 0.00 44.72 45.05 3kgg s GLY 176 CO 0.00 0.91 0.52 -1.50 0.00 0.00 0.00 173.10 173.03 3kgg s ILE 177 N -2.55 0.01 0.07 0.90 2.07 -1.26 -1.22 121.20 119.22 3kgg s ILE 177 Ca 0.66 -0.08 -0.11 0.00 -1.41 0.00 0.00 60.65 59.71 3kgg s ILE 177 Cb -0.22 -0.77 0.01 0.00 0.13 0.00 0.00 42.46 41.62 3kgg s ILE 177 CO 0.52 -0.05 0.25 0.00 -1.91 0.00 0.00 174.94 173.76 3kgg s ALA 178 N -0.26 -0.47 -0.14 1.50 0.00 -0.42 -4.64 121.76 117.32 3kgg s ALA 178 Ca -0.04 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.63 3kgg s ALA 178 Cb -0.03 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.53 3kgg s ALA 178 CO 0.03 -0.48 -0.22 0.08 0.00 0.00 0.00 175.76 175.18 3kgg s VAL 179 N -3.28 2.03 -0.15 0.00 1.01 -1.26 -0.89 120.40 117.85 3kgg s VAL 179 Ca 0.00 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 3kgg s VAL 179 Cb 0.02 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3kgg s VAL 179 CO -0.08 0.54 0.31 -0.60 0.00 0.00 0.00 175.10 175.27 3kgg s ARG 180 N 0.83 4.25 0.18 2.72 3.52 -0.03 -4.98 118.95 125.44 3kgg s ARG 180 Ca -0.07 0.13 0.08 0.00 -0.13 0.00 0.00 55.73 55.73 3kgg s ARG 180 Cb -0.15 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 3kgg s ARG 180 CO -0.02 0.24 -0.01 -1.01 -0.81 0.00 0.00 175.30 173.69 3kgg s HIS 181 N 0.44 2.80 0.98 5.12 3.76 -1.26 -0.59 115.29 126.54 3kgg s HIS 181 Ca 0.17 -0.16 -0.14 0.00 -0.15 0.00 0.00 55.06 54.79 3kgg s HIS 181 Cb -0.13 -1.35 0.18 0.00 1.11 0.00 0.00 32.58 32.39 3kgg s HIS 181 CO 0.04 0.53 1.16 -1.64 -0.85 0.00 0.00 174.74 173.98 3kgg s MET 182 N -3.00 0.56 0.52 1.40 1.00 0.52 -4.85 119.30 115.46 3kgg s MET 182 Ca 0.27 0.12 0.30 0.00 0.00 0.00 0.00 55.69 56.39 3kgg s MET 182 Cb -0.09 -1.79 1.33 0.00 0.00 0.00 0.00 34.83 34.28 3kgg s MET 182 CO 0.18 -2.56 1.99 -0.91 0.00 0.00 0.00 175.02 173.72 3kgg h ASN 183 N -1.75 0.00 -0.08 3.03 4.21 -2.00 -1.67 115.58 117.32 3kgg h ASN 183 Ca -0.49 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.02 3kgg h ASN 183 Cb 1.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.51 3kgg h ASN 183 CO 0.53 0.10 0.00 -0.90 -1.29 0.00 0.00 177.43 175.87 3kgg n ASP 184 N -3.31 0.61 0.00 5.81 5.68 -1.26 -4.89 116.55 119.19 3kgg n ASP 184 Ca -0.00 -1.67 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 3kgg n ASP 184 Cb 0.31 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 3kgg n ASP 184 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kgg n GLY 185 N 0.85 0.81 3.75 6.12 0.00 -0.63 -5.04 105.19 111.05 3kgg n GLY 185 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3kgg n GLY 185 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kgg s ARG 186 N -0.28 4.62 0.05 1.61 3.52 -1.26 -4.64 118.95 122.58 3kgg s ARG 186 Ca 0.00 1.27 -0.30 0.00 -0.13 0.00 0.00 55.73 56.56 3kgg s ARG 186 Cb 0.00 -3.34 -0.08 0.00 -1.56 0.00 0.00 34.95 29.97 3kgg s ARG 186 CO 0.00 0.35 1.79 -2.14 -0.81 0.00 0.00 175.30 174.49 3kgg s PRO 187 N -0.40 4.16 -0.14 5.12 0.02 -1.26 -0.35 135.00 142.15 3kgg s PRO 187 Ca 0.41 2.45 -0.10 0.00 0.02 0.00 0.00 61.00 63.78 3kgg s PRO 187 Cb -0.23 -3.83 -0.06 0.00 0.02 0.00 0.00 34.50 30.40 3kgg s PRO 187 CO 0.27 -0.84 -0.23 0.98 -0.33 0.00 0.00 177.00 176.84 3kgg n TYR 188 N 6.45 0.00 -4.15 6.54 -0.00 0.24 -4.67 117.16 121.58 3kgg n TYR 188 Ca 0.18 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.91 3kgg n TYR 188 Cb 0.40 -0.50 -0.12 0.00 -0.00 0.00 0.00 39.34 39.13 3kgg n TYR 188 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 3kgg s GLN 189 N -2.46 0.75 -0.20 2.98 -0.21 -0.89 -0.36 119.66 119.27 3kgg s GLN 189 Ca -0.23 -0.94 -0.04 0.00 0.02 0.00 0.00 55.36 54.18 3kgg s GLN 189 Cb 0.06 -0.65 -0.01 0.00 1.00 0.00 0.00 33.01 33.41 3kgg s GLN 189 CO 0.30 0.13 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.39 3kgg s LEU 190 N -1.83 2.94 -0.20 2.90 2.96 -0.43 -0.85 118.68 124.18 3kgg s LEU 190 Ca -0.03 -0.34 -0.05 0.00 -0.22 0.00 0.00 54.13 53.49 3kgg s LEU 190 Cb -0.09 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3kgg s LEU 190 CO 0.01 0.02 0.01 -0.63 -1.32 0.00 0.00 176.35 174.45 3kgg s ILE 191 N 1.21 4.07 -0.08 6.68 -1.09 -0.07 -1.44 121.20 130.48 3kgg s ILE 191 Ca 0.03 -0.28 0.04 0.00 -2.23 0.00 0.00 60.65 58.21 3kgg s ILE 191 Cb -0.14 -2.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 3kgg s ILE 191 CO -0.01 0.43 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.25 3kgg s VAL 192 N 0.92 1.66 -0.13 2.92 1.01 0.44 -1.31 120.40 125.92 3kgg s VAL 192 Ca 0.02 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.02 3kgg s VAL 192 Cb -0.14 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3kgg s VAL 192 CO 0.02 0.47 0.44 0.00 0.00 0.00 0.00 175.10 176.03 3kgg s ALA 193 N 0.35 3.50 -0.53 5.51 0.00 -0.36 0.00 121.76 130.24 3kgg s ALA 193 Ca -0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 3kgg s ALA 193 Cb -0.16 -2.60 0.14 0.00 0.00 0.00 0.00 23.12 20.50 3kgg s ALA 193 CO 0.06 0.02 0.33 -2.00 0.00 0.00 0.00 175.76 174.17 3kgg s GLU 194 N 0.60 2.32 0.00 0.00 2.12 -0.56 0.19 118.70 123.37 3kgg s GLU 194 Ca 0.24 -2.20 0.00 0.00 0.36 0.00 0.00 54.97 53.38 3kgg s GLU 194 Cb -0.15 -3.68 0.00 0.00 0.26 0.00 0.00 34.13 30.57 3kgg s GLU 194 CO 0.09 -1.13 0.99 2.41 -0.54 0.00 0.00 175.26 177.08 3kgg n THR 195 N 4.02 0.00 0.11 -1.70 -1.04 -1.13 -2.99 114.28 111.55 3kgg n THR 195 Ca 0.03 1.49 0.09 0.00 -2.04 0.00 0.00 64.05 63.62 3kgg n THR 195 Cb 0.39 -2.06 0.57 0.00 -1.82 0.00 0.00 70.33 67.42 3kgg n THR 195 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3kgg h PRO 196 N 0.00 0.20 -0.00 -2.82 0.13 -1.76 -2.41 132.00 125.33 3kgg h PRO 196 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3kgg h PRO 196 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 3kgg h PRO 196 CO 0.00 0.13 -0.00 0.25 -0.23 0.00 0.00 178.00 178.15 3kgg n THR 197 N -4.49 0.00 -2.37 1.56 -2.24 -1.16 -4.88 114.28 100.70 3kgg n THR 197 Ca 0.02 -0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.59 3kgg n THR 197 Cb 0.19 -0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 67.93 3kgg n THR 197 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kgg n LYS 198 N -1.16 -1.65 -4.38 -0.78 4.76 -0.91 -4.95 118.16 109.09 3kgg n LYS 198 Ca 0.18 1.01 -0.27 0.00 -2.87 0.00 0.00 58.31 56.36 3kgg n LYS 198 Cb 0.19 -5.66 -0.11 0.00 -1.84 0.00 0.00 35.03 27.62 3kgg n LYS 198 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3kgg s LYS 199 N -5.00 1.68 -0.12 1.97 1.02 -1.20 -0.88 119.74 117.21 3kgg s LYS 199 Ca 0.00 -1.43 0.03 0.00 0.02 0.00 0.00 55.97 54.59 3kgg s LYS 199 Cb 0.00 -1.95 0.01 0.00 -0.52 0.00 0.00 37.83 35.37 3kgg s LYS 199 CO 0.00 0.42 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.13 3kgg s LEU 200 N -2.65 2.00 0.13 3.17 1.43 -0.77 -1.50 118.68 120.49 3kgg s LEU 200 Ca 0.21 -0.54 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 3kgg s LEU 200 Cb -0.08 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 3kgg s LEU 200 CO 0.11 0.08 0.03 0.26 0.23 0.00 0.00 176.35 177.06 3kgg s TRP 201 N 0.72 2.98 0.11 0.29 0.52 0.10 -0.24 118.94 123.43 3kgg s TRP 201 Ca -0.10 -0.06 0.04 0.00 0.02 0.00 0.00 56.10 56.00 3kgg s TRP 201 Cb -0.16 -1.48 -0.04 0.00 -1.15 0.00 0.00 33.47 30.64 3kgg s TRP 201 CO 0.01 0.50 -0.10 -1.54 0.02 0.00 0.00 176.95 175.85 3kgg s SER 202 N -2.66 1.49 0.04 2.95 1.04 0.02 -0.42 113.70 116.16 3kgg s SER 202 Ca 0.27 -0.89 -0.00 0.00 0.48 0.00 0.00 55.95 55.81 3kgg s SER 202 Cb -0.11 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.00 3kgg s SER 202 CO 0.19 -0.31 -0.04 -0.31 0.98 0.00 0.00 173.24 173.76 3kgg s TYR 203 N -2.83 0.45 -0.09 5.02 1.51 -0.52 -1.10 117.35 119.79 3kgg s TYR 203 Ca 0.09 -0.81 -0.16 0.00 -1.01 0.00 0.00 57.07 55.18 3kgg s TYR 203 Cb -0.00 -0.32 -0.05 0.00 -0.11 0.00 0.00 41.96 41.48 3kgg s TYR 203 CO -0.01 -0.27 0.40 -0.51 -1.11 0.00 0.00 175.55 174.05 3kgg s ASP 204 N -2.27 6.65 -0.30 2.29 1.01 0.38 -1.32 116.67 123.12 3kgg s ASP 204 Ca -0.03 0.77 -0.18 0.00 0.71 0.00 0.00 52.55 53.82 3kgg s ASP 204 Cb -0.00 -2.24 -0.02 0.00 1.01 0.00 0.00 42.92 41.67 3kgg s ASP 204 CO -0.05 0.14 0.54 -0.63 0.21 0.00 0.00 175.17 175.38 3kgg s ILE 205 N -0.00 5.02 -0.58 0.77 1.01 0.51 -1.67 121.20 126.25 3kgg s ILE 205 Ca 0.22 0.69 0.22 0.00 0.00 0.00 0.00 60.65 61.78 3kgg s ILE 205 Cb -0.15 -3.91 -0.26 0.00 0.01 0.00 0.00 42.46 38.15 3kgg s ILE 205 CO 0.09 -0.07 0.76 0.29 0.00 0.00 0.00 174.94 176.01 3kgg n LYS 206 N 5.69 0.29 -3.71 2.79 4.76 0.05 -4.71 118.16 123.33 3kgg n LYS 206 Ca -0.04 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 3kgg n LYS 206 Cb 0.49 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 3kgg n LYS 206 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kgg n GLY 207 N 1.39 -2.36 3.68 0.72 0.00 -1.17 -4.98 105.19 102.48 3kgg n GLY 207 Ca 0.01 -1.23 -0.52 0.00 0.00 0.00 0.00 46.02 44.28 3kgg n GLY 207 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kgg n PRO 208 N -0.67 1.70 -2.01 1.61 -0.02 -1.26 -0.46 135.00 133.88 3kgg n PRO 208 Ca 0.00 0.62 -0.18 0.00 -2.02 0.00 0.00 63.50 61.92 3kgg n PRO 208 Cb 0.00 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.06 3kgg n PRO 208 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kgg n ALA 209 N 5.35 -0.49 -3.96 3.55 0.00 -1.26 -4.94 120.51 118.75 3kgg n ALA 209 Ca 0.23 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.58 3kgg n ALA 209 Cb 0.22 -1.92 -0.15 0.00 0.00 0.00 0.00 19.45 17.60 3kgg n ALA 209 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kgg s LYS 210 N -4.36 1.54 0.06 0.00 1.02 0.39 -4.95 119.74 113.44 3kgg s LYS 210 Ca 0.00 -1.39 0.06 0.00 0.02 0.00 0.00 55.97 54.66 3kgg s LYS 210 Cb 0.00 -2.78 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 3kgg s LYS 210 CO 0.00 -0.78 -0.16 0.96 -0.92 0.00 0.00 175.35 174.45 3kgg s ILE 211 N 1.20 1.27 0.31 2.17 -4.36 -1.26 -0.77 121.20 119.76 3kgg s ILE 211 Ca 0.02 -1.23 -0.05 0.00 -0.26 0.00 0.00 60.65 59.14 3kgg s ILE 211 Cb -0.19 -1.17 -0.00 0.00 1.25 0.00 0.00 42.46 42.35 3kgg s ILE 211 CO -0.10 -0.07 0.45 -1.61 0.24 0.00 0.00 174.94 173.85 3kgg s GLU 212 N -1.50 1.77 -1.07 0.37 2.02 -0.67 -4.94 118.70 114.68 3kgg s GLU 212 Ca 0.02 -1.63 -0.11 0.00 0.02 0.00 0.00 54.97 53.26 3kgg s GLU 212 Cb -0.09 0.44 -0.05 0.00 0.10 0.00 0.00 34.13 34.53 3kgg s GLU 212 CO 0.02 -0.73 0.87 -1.71 0.02 0.00 0.00 175.26 173.73 3kgg n ASN 213 N -1.08 -6.21 -4.70 -0.19 5.15 -1.26 -0.47 115.26 106.50 3kgg n ASN 213 Ca 0.00 -0.80 -0.42 0.00 -0.60 0.00 0.00 54.58 52.76 3kgg n ASN 213 Cb 0.62 -4.53 -0.03 0.00 -0.53 0.00 0.00 39.78 35.31 3kgg n ASN 213 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3kgg s LYS 214 N -4.92 4.24 0.03 1.20 2.20 -1.26 -4.27 119.74 116.96 3kgg s LYS 214 Ca 0.45 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 58.28 3kgg s LYS 214 Cb -0.10 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 3kgg s LYS 214 CO 0.79 -0.62 -0.04 0.15 -0.36 0.00 0.00 175.35 175.27 3kgg s LYS 215 N 1.95 0.39 -0.42 4.03 1.02 -0.26 -4.98 119.74 121.46 3kgg s LYS 215 Ca 0.69 -0.70 -0.29 0.00 0.02 0.00 0.00 55.97 55.69 3kgg s LYS 215 Cb -0.38 0.02 0.02 0.00 -0.52 0.00 0.00 37.83 36.96 3kgg s LYS 215 CO 0.30 -0.03 1.30 0.08 -0.92 0.00 0.00 175.35 176.08 3kgg s VAL 216 N -1.67 4.04 -0.06 3.17 1.01 -1.26 -0.80 120.40 124.84 3kgg s VAL 216 Ca -0.12 1.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.88 3kgg s VAL 216 Cb -0.08 -4.35 -0.28 0.00 0.00 0.00 0.00 36.38 31.67 3kgg s VAL 216 CO -0.01 -0.82 0.60 -0.25 0.00 0.00 0.00 175.10 174.62 3kgg h TRP 217 N 10.00 0.51 -3.43 5.22 7.01 -0.91 -3.47 115.95 130.87 3kgg h TRP 217 Ca -0.26 -0.37 -0.03 0.00 2.11 0.00 0.00 58.89 60.35 3kgg h TRP 217 Cb 1.09 -0.02 -0.09 0.00 -2.10 0.00 0.00 29.16 28.04 3kgg h TRP 217 CO 0.96 1.58 -0.02 0.20 -2.79 0.00 0.00 178.44 178.37 3kgg s GLY 218 N -5.24 0.18 -0.09 2.65 0.00 -0.89 -0.21 107.32 103.73 3kgg s GLY 218 Ca -0.15 -0.53 0.04 0.00 0.00 0.00 0.00 44.72 44.07 3kgg s GLY 218 CO 0.82 -0.41 -0.21 0.30 0.00 0.00 0.00 173.10 173.60 3kgg s HIS 219 N -3.94 2.23 -0.02 1.90 3.76 -0.15 -1.84 115.29 117.24 3kgg s HIS 219 Ca 0.15 -0.88 -0.20 0.00 -0.15 0.00 0.00 55.06 53.97 3kgg s HIS 219 Cb -0.01 -1.51 -0.05 0.00 1.11 0.00 0.00 32.58 32.11 3kgg s HIS 219 CO 0.03 -0.37 0.58 0.42 -0.85 0.00 0.00 174.74 174.56 3kgg s ILE 220 N 0.41 4.94 0.71 0.60 -1.09 -0.06 -4.51 121.20 122.21 3kgg s ILE 220 Ca -0.17 1.21 -0.12 0.00 -2.23 0.00 0.00 60.65 59.34 3kgg s ILE 220 Cb -0.17 -3.92 0.02 0.00 -1.58 0.00 0.00 42.46 36.82 3kgg s ILE 220 CO 0.07 0.41 1.08 -2.84 -1.23 0.00 0.00 174.94 172.43 3kgg s PRO 221 N -0.13 2.66 0.00 2.79 0.02 -1.26 -4.89 135.00 134.19 3kgg s PRO 221 Ca 0.30 1.14 0.00 0.00 0.02 0.00 0.00 61.00 62.47 3kgg s PRO 221 Cb -0.18 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.39 3kgg s PRO 221 CO 0.16 -1.33 0.00 0.41 -0.33 0.00 0.00 177.00 175.92 3kgg n GLY 222 N -1.31 1.76 0.17 0.52 0.00 -1.26 -4.90 105.19 100.17 3kgg n GLY 222 Ca 0.09 -1.75 0.02 0.00 0.00 0.00 0.00 46.02 44.38 3kgg n GLY 222 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kgg n THR 223 N 1.67 0.28 -0.64 2.61 -2.24 -1.26 -5.04 114.28 109.67 3kgg n THR 223 Ca 0.00 -0.64 -0.29 0.00 -2.27 0.00 0.00 64.05 60.85 3kgg n THR 223 Cb 0.00 0.92 0.22 0.00 -2.10 0.00 0.00 70.33 69.37 3kgg n THR 223 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3kgg s HIS 224 N -0.51 1.49 0.04 4.78 -3.43 -1.26 -4.95 115.29 111.46 3kgg s HIS 224 Ca 0.05 1.35 -0.30 0.00 -0.80 0.00 0.00 55.06 55.36 3kgg s HIS 224 Cb 0.03 -3.17 -0.04 0.00 -1.43 0.00 0.00 32.58 27.97 3kgg s HIS 224 CO 0.05 -3.49 1.01 -1.21 -2.00 0.00 0.00 174.74 169.10 3kgg s GLU 225 N -4.55 4.57 0.00 -0.38 0.41 -1.26 -4.79 118.70 112.70 3kgg s GLU 225 Ca 0.68 1.49 0.00 0.00 -0.41 0.00 0.00 54.97 56.72 3kgg s GLU 225 Cb -0.24 -3.42 0.00 0.00 -1.78 0.00 0.00 34.13 28.69 3kgg s GLU 225 CO 0.62 -0.02 0.00 0.41 -0.49 0.00 0.00 175.26 175.79 3kgg n GLY 226 N 2.76 0.22 0.00 -1.39 0.00 -1.26 -4.59 105.19 100.93 3kgg n GLY 226 Ca 0.05 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3kgg n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgg n GLY 227 N 0.00 0.48 3.68 -0.02 0.00 -0.81 -4.12 105.19 104.40 3kgg n GLY 227 Ca 0.00 -1.56 -0.47 0.00 0.00 0.00 0.00 46.02 43.99 3kgg n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgg n ALA 228 N -0.69 1.23 -2.00 4.61 0.00 -1.26 -1.08 120.51 121.32 3kgg n ALA 228 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3kgg n ALA 228 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 16.99 3kgg n ALA 228 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kgg n ASP 229 N 5.37 0.00 -4.89 0.00 -0.08 0.61 -4.05 116.55 113.51 3kgg n ASP 229 Ca 0.20 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.19 3kgg n ASP 229 Cb 0.31 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.80 3kgg n ASP 229 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 3kgg s GLY 230 N 0.00 1.61 0.21 0.27 0.00 0.31 -1.03 107.32 108.69 3kgg s GLY 230 Ca 0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 44.72 44.10 3kgg s GLY 230 CO 0.00 -0.11 0.62 -3.16 0.00 0.00 0.00 173.10 170.46 3kgg s MET 231 N -5.16 1.47 0.02 2.90 0.23 -1.26 -1.43 119.30 116.07 3kgg s MET 231 Ca 0.55 -0.72 -0.28 0.00 -1.03 0.00 0.00 55.69 54.22 3kgg s MET 231 Cb -0.11 0.58 0.09 0.00 -1.53 0.00 0.00 34.83 33.87 3kgg s MET 231 CO 0.50 -0.65 0.79 -0.51 -2.03 0.00 0.00 175.02 173.12 3kgg s ASP 232 N -2.83 -0.46 0.12 -1.18 1.01 -0.98 -4.80 116.67 107.55 3kgg s ASP 232 Ca 0.06 0.14 -0.02 0.00 0.71 0.00 0.00 52.55 53.43 3kgg s ASP 232 Cb -0.03 0.46 -0.05 0.00 1.01 0.00 0.00 42.92 44.31 3kgg s ASP 232 CO -0.04 -0.69 0.32 -0.36 0.21 0.00 0.00 175.17 174.61 3kgg s PHE 233 N -2.81 3.49 0.62 4.23 0.08 -1.26 -1.05 117.98 121.28 3kgg s PHE 233 Ca 0.01 0.41 0.04 0.00 0.12 0.00 0.00 56.93 57.52 3kgg s PHE 233 Cb -0.01 -1.89 0.09 0.00 -0.57 0.00 0.00 43.02 40.64 3kgg s PHE 233 CO -0.06 0.48 0.86 0.16 -0.10 0.00 0.00 175.22 176.56 3kgg s ASP 234 N -2.57 4.84 0.61 1.36 1.47 -0.31 -1.81 116.67 120.25 3kgg s ASP 234 Ca 0.38 -0.54 0.39 0.00 1.18 0.00 0.00 52.55 53.97 3kgg s ASP 234 Cb -0.12 -0.01 2.14 0.00 -0.34 0.00 0.00 42.92 44.59 3kgg s ASP 234 CO 0.26 -1.50 2.20 1.05 0.68 0.00 0.00 175.17 177.86 3kgg h GLU 235 N -0.09 0.00 -0.64 2.11 4.11 -0.37 -0.70 114.58 118.99 3kgg h GLU 235 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.09 3kgg h GLU 235 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3kgg h GLU 235 CO 0.42 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.25 3kgg n ASP 236 N -2.92 3.97 -0.94 3.06 8.00 -1.26 -4.89 116.55 121.56 3kgg n ASP 236 Ca -0.03 -2.25 -0.11 0.00 0.71 0.00 0.00 54.79 53.12 3kgg n ASP 236 Cb 0.10 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 3kgg n ASP 236 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kgg n ASN 237 N 1.14 -4.05 -4.76 -2.24 3.02 -0.27 -4.84 115.26 103.25 3kgg n ASN 237 Ca 0.22 0.18 -0.40 0.00 -0.03 0.00 0.00 54.58 54.56 3kgg n ASN 237 Cb 0.71 -2.74 -0.06 0.00 -0.61 0.00 0.00 39.78 37.08 3kgg n ASN 237 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3kgg s ASN 238 N -2.77 7.44 -0.29 6.41 0.02 -1.26 -3.78 114.94 120.70 3kgg s ASN 238 Ca 0.00 1.70 -0.10 0.00 -1.02 0.00 0.00 52.86 53.44 3kgg s ASN 238 Cb 0.00 -2.53 -0.02 0.00 0.02 0.00 0.00 41.25 38.72 3kgg s ASN 238 CO 0.00 0.16 0.15 -0.22 0.02 0.00 0.00 177.10 177.21 3kgg s LEU 239 N -0.96 3.96 -0.16 0.60 2.96 -0.05 -1.16 118.68 123.87 3kgg s LEU 239 Ca 0.38 -0.34 -0.16 0.00 -0.22 0.00 0.00 54.13 53.79 3kgg s LEU 239 Cb -0.23 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 3kgg s LEU 239 CO 0.27 -0.13 0.38 -0.76 -1.32 0.00 0.00 176.35 174.79 3kgg s LEU 240 N 1.65 4.23 -0.11 -0.68 1.02 -0.22 -0.46 118.68 124.11 3kgg s LEU 240 Ca 0.06 0.60 0.00 0.00 0.02 0.00 0.00 54.13 54.81 3kgg s LEU 240 Cb -0.16 -2.51 0.02 0.00 0.02 0.00 0.00 46.19 43.56 3kgg s LEU 240 CO 0.07 0.02 -0.10 -0.69 0.02 0.00 0.00 176.35 175.67 3kgg s VAL 241 N 0.73 1.18 -0.10 -1.59 1.01 0.83 -2.31 120.40 120.15 3kgg s VAL 241 Ca 0.20 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 3kgg s VAL 241 Cb -0.14 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3kgg s VAL 241 CO 0.07 0.39 1.52 0.00 0.00 0.00 0.00 175.10 177.08 3kgg s ALA 242 N 1.41 3.61 -0.91 5.51 0.00 -0.51 -0.47 121.76 130.39 3kgg s ALA 242 Ca 0.00 0.75 -0.09 0.00 0.00 0.00 0.00 51.96 52.62 3kgg s ALA 242 Cb -0.13 -3.71 0.23 0.00 0.00 0.00 0.00 23.12 19.51 3kgg s ALA 242 CO -0.06 -1.36 0.85 1.21 0.00 0.00 0.00 175.76 176.40 3kgg s ASN 243 N 2.95 6.65 -0.09 0.00 3.04 -0.80 -0.29 114.94 126.41 3kgg s ASN 243 Ca 0.67 -3.19 -0.35 0.00 0.04 0.00 0.00 52.86 50.03 3kgg s ASN 243 Cb -0.29 -2.12 -0.13 0.00 -1.54 0.00 0.00 41.25 37.17 3kgg s ASN 243 CO 0.25 -0.39 1.81 1.87 -3.04 0.00 0.00 177.10 177.59 3kgg n TRP 244 N 3.21 2.25 -0.06 0.43 -0.00 -0.24 -1.56 117.44 121.47 3kgg n TRP 244 Ca 0.18 0.14 0.00 0.00 -0.00 0.00 0.00 57.50 57.82 3kgg n TRP 244 Cb 0.42 -2.60 0.00 0.00 -0.00 0.00 0.00 31.31 29.12 3kgg n TRP 244 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3kgg n GLY 245 N 4.20 0.54 0.19 5.87 0.00 -0.48 -1.92 105.19 113.58 3kgg n GLY 245 Ca 0.23 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.30 3kgg n GLY 245 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kgg n SER 246 N 0.00 1.12 -0.86 1.61 3.41 -0.60 -4.87 113.62 113.43 3kgg n SER 246 Ca 0.00 -1.06 -0.11 0.00 -0.26 0.00 0.00 58.87 57.44 3kgg n SER 246 Cb 0.00 0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 64.53 3kgg n SER 246 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3kgg n SER 247 N -0.53 -4.58 -4.09 4.04 7.64 -1.03 -4.99 113.62 110.09 3kgg n SER 247 Ca 0.04 0.28 -0.07 0.00 1.01 0.00 0.00 58.87 60.13 3kgg n SER 247 Cb 0.23 -3.07 -0.10 0.00 -1.01 0.00 0.00 64.21 60.27 3kgg n SER 247 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3kgg s HIS 248 N -2.34 0.52 -0.20 1.43 3.76 -1.26 -1.10 115.29 116.10 3kgg s HIS 248 Ca 0.00 -1.05 -0.01 0.00 -0.15 0.00 0.00 55.06 53.85 3kgg s HIS 248 Cb 0.00 -0.39 0.01 0.00 1.11 0.00 0.00 32.58 33.31 3kgg s HIS 248 CO 0.00 -0.37 -0.12 0.42 -0.85 0.00 0.00 174.74 173.82 3kgg s ILE 249 N -3.83 2.74 0.21 0.60 1.01 -0.38 -1.90 121.20 119.65 3kgg s ILE 249 Ca 0.06 -0.71 -0.19 0.00 0.00 0.00 0.00 60.65 59.82 3kgg s ILE 249 Cb 0.07 -2.21 -0.08 0.00 0.01 0.00 0.00 42.46 40.25 3kgg s ILE 249 CO -0.10 0.48 0.70 -1.61 0.00 0.00 0.00 174.94 174.41 3kgg s GLU 250 N 1.37 4.21 -0.25 2.79 0.41 0.38 -0.60 118.70 127.02 3kgg s GLU 250 Ca 0.05 0.81 -0.00 0.00 -0.41 0.00 0.00 54.97 55.42 3kgg s GLU 250 Cb -0.14 -2.88 0.03 0.00 -1.78 0.00 0.00 34.13 29.37 3kgg s GLU 250 CO -0.08 0.40 -0.08 0.08 -0.49 0.00 0.00 175.26 175.09 3kgg s VAL 251 N -1.52 2.63 0.04 2.63 1.01 0.49 -0.12 120.40 125.56 3kgg s VAL 251 Ca 0.42 -1.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 3kgg s VAL 251 Cb -0.16 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3kgg s VAL 251 CO 0.21 0.17 0.17 -0.36 0.00 0.00 0.00 175.10 175.29 3kgg s PHE 252 N 1.27 3.45 0.70 5.22 0.40 0.39 -0.51 117.98 128.90 3kgg s PHE 252 Ca -0.02 0.25 -0.10 0.00 -0.60 0.00 0.00 56.93 56.46 3kgg s PHE 252 Cb -0.17 -1.75 0.03 0.00 0.51 0.00 0.00 43.02 41.64 3kgg s PHE 252 CO -0.05 0.59 1.06 0.20 0.70 0.00 0.00 175.22 177.72 3kgg s GLY 253 N -2.27 1.62 0.46 4.36 0.00 -1.26 -0.87 107.32 109.36 3kgg s GLY 253 Ca 0.31 -0.55 0.28 0.00 0.00 0.00 0.00 44.72 44.75 3kgg s GLY 253 CO 0.23 -0.18 1.76 -2.55 0.00 0.00 0.00 173.10 172.36 3kgg h PRO 254 N -0.63 0.19 -0.01 2.90 0.11 -1.89 0.08 132.00 132.77 3kgg h PRO 254 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kgg h PRO 254 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kgg h PRO 254 CO 0.63 0.13 -0.07 -0.25 -0.21 0.00 0.00 178.00 178.22 3kgg n ASP 255 N -4.46 0.87 0.00 -2.05 8.00 -1.26 -5.04 116.55 112.60 3kgg n ASP 255 Ca 0.28 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.73 3kgg n ASP 255 Cb 1.12 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.22 3kgg n ASP 255 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kgg n GLY 256 N 1.20 0.55 2.07 0.44 0.00 0.01 -4.98 105.19 104.49 3kgg n GLY 256 Ca 0.17 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3kgg n GLY 256 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgg n GLY 257 N 0.00 1.20 3.70 -0.02 0.00 0.71 -4.61 105.19 106.17 3kgg n GLY 257 Ca 0.00 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 3kgg n GLY 257 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kgg s GLN 258 N 0.00 2.50 0.36 1.61 -1.52 -1.26 -0.97 119.66 120.37 3kgg s GLN 258 Ca 0.00 -1.20 -0.29 0.00 -1.95 0.00 0.00 55.36 51.93 3kgg s GLN 258 Cb 0.00 -2.34 -0.11 0.00 -0.22 0.00 0.00 33.01 30.33 3kgg s GLN 258 CO 0.00 0.41 1.52 -2.30 -0.25 0.00 0.00 175.29 174.68 3kgg n PRO 259 N -0.63 2.70 0.03 2.91 -0.02 -1.26 -4.68 135.00 134.06 3kgg n PRO 259 Ca -0.08 0.95 0.12 0.00 -2.02 0.00 0.00 63.50 62.47 3kgg n PRO 259 Cb 0.57 -2.70 0.12 0.00 -0.02 0.00 0.00 33.50 31.47 3kgg n PRO 259 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3kgg n LYS 260 N 0.92 0.22 -3.51 -0.52 2.85 0.33 -4.95 118.16 113.51 3kgg n LYS 260 Ca 0.03 0.03 -0.10 0.00 -1.05 0.00 0.00 58.31 57.22 3kgg n LYS 260 Cb 0.38 -1.61 -0.03 0.00 -0.65 0.00 0.00 35.03 33.13 3kgg n LYS 260 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 3kgg s MET 261 N -3.14 0.86 0.07 -1.58 0.00 -1.10 -4.46 119.30 109.95 3kgg s MET 261 Ca 0.06 -0.18 0.06 0.00 0.00 0.00 0.00 55.69 55.63 3kgg s MET 261 Cb 0.15 0.40 -0.03 0.00 0.00 0.00 0.00 34.83 35.35 3kgg s MET 261 CO 0.75 -0.35 -0.16 1.03 0.00 0.00 0.00 175.02 176.30 3kgg s ARG 262 N -2.61 0.92 -0.19 4.11 0.52 -0.61 -0.38 118.95 120.71 3kgg s ARG 262 Ca 0.02 -0.95 -0.00 0.00 -0.52 0.00 0.00 55.73 54.28 3kgg s ARG 262 Cb -0.01 -0.98 0.01 0.00 0.52 0.00 0.00 34.95 34.49 3kgg s ARG 262 CO -0.06 0.23 -0.16 0.42 0.02 0.00 0.00 175.30 175.76 3kgg s ILE 263 N -1.14 2.40 0.03 1.52 1.01 0.23 -1.61 121.20 123.64 3kgg s ILE 263 Ca 0.01 -0.85 -0.28 0.00 0.00 0.00 0.00 60.65 59.53 3kgg s ILE 263 Cb -0.09 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3kgg s ILE 263 CO 0.02 0.49 0.91 -0.60 0.00 0.00 0.00 174.94 175.77 3kgg s ARG 264 N 1.33 4.57 0.06 2.79 3.52 -0.24 -1.25 118.95 129.74 3kgg s ARG 264 Ca 0.05 1.31 0.04 0.00 -0.13 0.00 0.00 55.73 57.00 3kgg s ARG 264 Cb -0.14 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 3kgg s ARG 264 CO -0.10 0.08 -0.01 0.00 -0.81 0.00 0.00 175.30 174.46 3kgg n PRO 266 N 0.83 0.90 -3.59 0.00 -0.04 -1.26 -4.72 135.00 127.12 3kgg n PRO 266 Ca -0.12 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.23 3kgg n PRO 266 Cb 0.52 -1.17 -0.04 0.00 -0.04 0.00 0.00 33.50 32.77 3kgg n PRO 266 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3kgg s PHE 267 N -0.24 -0.28 -0.14 0.54 -0.12 -1.26 -5.08 117.98 111.39 3kgg s PHE 267 Ca 0.00 -0.01 0.17 0.00 -0.05 0.00 0.00 56.93 57.03 3kgg s PHE 267 Cb 0.00 0.34 -0.06 0.00 -0.63 0.00 0.00 43.02 42.66 3kgg s PHE 267 CO 0.00 -0.75 1.03 1.49 -0.05 0.00 0.00 175.22 176.94 3kgg h GLU 268 N 2.27 0.00 -2.23 1.99 4.81 -1.91 -3.37 114.58 116.14 3kgg h GLU 268 Ca -0.34 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.30 3kgg h GLU 268 Cb 1.27 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 30.23 3kgg h GLU 268 CO 0.44 0.33 -0.62 1.63 -0.73 0.00 0.00 179.01 180.06 3kgg n LYS 269 N -2.97 2.82 -1.96 1.92 5.02 -1.26 -1.38 118.16 120.35 3kgg n LYS 269 Ca -0.05 -4.74 -0.41 0.00 -2.02 0.00 0.00 58.31 51.08 3kgg n LYS 269 Cb 0.78 -2.24 -0.02 0.00 -0.02 0.00 0.00 35.03 33.53 3kgg n LYS 269 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kgg s PRO 270 N -2.90 4.24 -0.16 1.97 0.04 -1.26 -0.49 135.00 136.43 3kgg s PRO 270 Ca 0.44 2.37 -0.03 0.00 0.04 0.00 0.00 61.00 63.82 3kgg s PRO 270 Cb 0.21 -3.08 -0.09 0.00 0.04 0.00 0.00 34.50 31.58 3kgg s PRO 270 CO -0.07 -0.45 -0.16 -1.13 0.04 0.00 0.00 177.00 175.23 3kgg n SER 271 N 1.99 2.15 -3.48 6.66 3.41 0.41 -3.53 113.62 121.22 3kgg n SER 271 Ca 0.06 0.03 -0.11 0.00 -0.26 0.00 0.00 58.87 58.59 3kgg n SER 271 Cb 0.40 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 3kgg n SER 271 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3kgg s ASN 272 N -5.86 0.31 0.18 4.04 3.84 -1.19 -0.53 114.94 115.73 3kgg s ASN 272 Ca -0.21 -1.17 -0.18 0.00 0.21 0.00 0.00 52.86 51.50 3kgg s ASN 272 Cb 0.07 0.68 0.03 0.00 -0.55 0.00 0.00 41.25 41.48 3kgg s ASN 272 CO 0.32 -1.33 0.52 -1.48 -2.79 0.00 0.00 177.10 172.34 3kgg s LEU 273 N -3.11 0.04 -0.28 3.21 0.05 -1.26 -1.37 118.68 115.96 3kgg s LEU 273 Ca 0.24 -0.41 -0.24 0.00 0.05 0.00 0.00 54.13 53.77 3kgg s LEU 273 Cb -0.02 2.17 0.09 0.00 -2.05 0.00 0.00 46.19 46.38 3kgg s LEU 273 CO 0.14 -1.02 0.82 -2.28 -0.55 0.00 0.00 176.35 173.45 3kgg s HIS 274 N -3.85 -0.71 0.29 3.48 2.46 -0.20 -4.80 115.29 111.96 3kgg s HIS 274 Ca 0.07 1.69 -0.20 0.00 0.47 0.00 0.00 55.06 57.09 3kgg s HIS 274 Cb -0.01 0.33 -0.09 0.00 -0.13 0.00 0.00 32.58 32.69 3kgg s HIS 274 CO -0.05 -0.34 0.80 -0.06 -2.47 0.00 0.00 174.74 172.62 3kgg s PHE 275 N 0.48 3.56 -0.05 3.88 0.40 -1.26 -0.34 117.98 124.64 3kgg s PHE 275 Ca -0.00 1.47 -0.29 0.00 -0.60 0.00 0.00 56.93 57.50 3kgg s PHE 275 Cb -0.05 -2.70 -0.02 0.00 0.51 0.00 0.00 43.02 40.76 3kgg s PHE 275 CO -0.04 0.20 0.95 0.21 0.70 0.00 0.00 175.22 177.25 3kgg s LYS 276 N -2.35 4.48 -0.06 0.44 2.20 -0.10 -4.89 119.74 119.46 3kgg s LYS 276 Ca 0.49 1.33 -0.39 0.00 -0.36 0.00 0.00 55.97 57.04 3kgg s LYS 276 Cb -0.15 -3.49 -0.18 0.00 -1.51 0.00 0.00 37.83 32.50 3kgg s LYS 276 CO 0.20 -0.14 1.33 -2.30 -0.36 0.00 0.00 175.35 174.08 3kgg n PRO 277 N 4.34 0.63 -1.35 4.03 -0.02 -1.26 -1.62 135.00 139.74 3kgg n PRO 277 Ca 0.06 0.23 -0.12 0.00 -2.02 0.00 0.00 63.50 61.65 3kgg n PRO 277 Cb 0.50 -1.81 -0.05 0.00 -0.02 0.00 0.00 33.50 32.12 3kgg n PRO 277 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3kgg n GLN 278 N 2.74 -0.88 -4.38 -0.52 6.02 -1.26 -5.00 117.38 114.10 3kgg n GLN 278 Ca 0.21 0.92 -0.21 0.00 -0.01 0.00 0.00 57.00 57.92 3kgg n GLN 278 Cb 0.12 -4.95 -0.09 0.00 1.02 0.00 0.00 30.24 26.34 3kgg n GLN 278 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3kgg s THR 279 N -2.44 0.34 -2.45 5.09 -4.23 -0.64 -5.03 115.64 106.29 3kgg s THR 279 Ca 0.00 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.74 3kgg s THR 279 Cb 0.00 -2.46 0.42 0.00 1.34 0.00 0.00 72.50 71.80 3kgg s THR 279 CO 0.00 0.00 1.39 0.29 -0.54 0.00 0.00 174.62 175.76 3kgg n LYS 280 N -0.70 2.50 -2.69 3.99 5.02 -1.26 -3.36 118.16 121.66 3kgg n LYS 280 Ca 0.00 -2.29 -0.42 0.00 -2.02 0.00 0.00 58.31 53.58 3kgg n LYS 280 Cb 0.64 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 34.12 3kgg n LYS 280 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kgg s THR 281 N -1.48 4.79 -0.17 -0.18 2.01 -1.26 -0.13 115.64 119.22 3kgg s THR 281 Ca 0.38 2.04 -0.02 0.00 0.31 0.00 0.00 61.69 64.41 3kgg s THR 281 Cb 0.23 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 3kgg s THR 281 CO 0.31 0.01 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.53 3kgg s ILE 282 N 1.95 3.17 -0.17 1.82 1.01 -0.11 -0.93 121.20 127.94 3kgg s ILE 282 Ca 0.48 -0.59 -0.14 0.00 0.00 0.00 0.00 60.65 60.40 3kgg s ILE 282 Cb -0.18 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 3kgg s ILE 282 CO 0.18 0.48 0.32 -0.36 0.00 0.00 0.00 174.94 175.57 3kgg s PHE 283 N 0.86 3.44 -0.07 3.97 0.40 0.54 -1.87 117.98 125.25 3kgg s PHE 283 Ca -0.03 0.60 0.05 0.00 -0.60 0.00 0.00 56.93 56.96 3kgg s PHE 283 Cb -0.15 -2.38 -0.01 0.00 0.51 0.00 0.00 43.02 40.99 3kgg s PHE 283 CO 0.01 0.18 -0.24 0.08 0.70 0.00 0.00 175.22 175.95 3kgg s VAL 284 N 0.65 2.11 0.04 -0.44 1.01 0.68 -1.03 120.40 123.42 3kgg s VAL 284 Ca 0.17 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 3kgg s VAL 284 Cb -0.13 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 3kgg s VAL 284 CO 0.05 0.57 0.18 0.42 0.00 0.00 0.00 175.10 176.31 3kgg s THR 285 N -0.02 5.23 -0.05 3.92 -4.23 -0.47 -0.69 115.64 119.32 3kgg s THR 285 Ca -0.08 -0.39 -0.10 0.00 -1.18 0.00 0.00 61.69 59.95 3kgg s THR 285 Cb -0.15 -3.51 0.02 0.00 1.34 0.00 0.00 72.50 70.20 3kgg s THR 285 CO 0.05 0.20 0.24 -1.83 -0.54 0.00 0.00 174.62 172.74 3kgg s GLU 286 N -2.30 0.43 0.00 3.99 4.04 -0.83 -0.45 118.70 123.58 3kgg s GLU 286 Ca 0.31 0.05 0.21 0.00 0.04 0.00 0.00 54.97 55.58 3kgg s GLU 286 Cb -0.13 0.19 0.57 0.00 0.02 0.00 0.00 34.13 34.78 3kgg s GLU 286 CO 0.24 -0.09 1.46 0.72 -1.84 0.00 0.00 175.26 175.75 3kgg n HIS 287 N 2.20 0.38 -0.03 4.83 8.25 0.36 -2.24 115.22 128.97 3kgg n HIS 287 Ca -0.17 -0.19 -0.16 0.00 -0.26 0.00 0.00 57.72 56.94 3kgg n HIS 287 Cb 0.57 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.55 3kgg n HIS 287 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3kgg h GLU 288 N 3.26 0.11 -0.08 -0.41 4.81 -1.96 -3.36 114.58 116.95 3kgg h GLU 288 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3kgg h GLU 288 Cb 0.72 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3kgg h GLU 288 CO 0.00 1.04 0.00 0.09 -0.73 0.00 0.00 179.01 179.41 3kgg n ASN 289 N -4.47 2.20 -3.64 1.04 4.13 -1.26 -5.00 115.26 108.27 3kgg n ASN 289 Ca -0.11 -1.60 -0.28 0.00 1.68 0.00 0.00 54.58 54.28 3kgg n ASN 289 Cb 0.57 -0.04 0.04 0.00 -1.54 0.00 0.00 39.78 38.81 3kgg n ASN 289 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3kgg n ASN 290 N 0.69 -4.71 -3.84 6.41 3.02 -0.95 -4.22 115.26 111.66 3kgg n ASN 290 Ca 0.08 -0.95 -0.18 0.00 -0.03 0.00 0.00 54.58 53.50 3kgg n ASN 290 Cb 0.33 -3.70 -0.09 0.00 -0.61 0.00 0.00 39.78 35.72 3kgg n ASN 290 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kgg s ALA 291 N -3.51 1.83 -0.08 5.41 0.00 -1.05 -1.40 121.76 122.96 3kgg s ALA 291 Ca 0.39 -1.82 0.05 0.00 0.00 0.00 0.00 51.96 50.58 3kgg s ALA 291 Cb -0.12 1.28 -0.00 0.00 0.00 0.00 0.00 23.12 24.27 3kgg s ALA 291 CO 0.84 -0.56 -0.24 0.08 0.00 0.00 0.00 175.76 175.88 3kgg s VAL 292 N -3.64 2.03 0.34 0.00 1.01 0.07 -1.97 120.40 118.23 3kgg s VAL 292 Ca 0.37 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.36 3kgg s VAL 292 Cb 0.04 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 3kgg s VAL 292 CO 0.19 0.56 0.08 0.26 0.00 0.00 0.00 175.10 176.19 3kgg s TRP 293 N 0.10 1.87 -0.01 5.22 0.52 0.13 -0.04 118.94 126.74 3kgg s TRP 293 Ca -0.11 -1.06 -0.07 0.00 0.02 0.00 0.00 56.10 54.88 3kgg s TRP 293 Cb -0.16 -1.21 0.00 0.00 -1.15 0.00 0.00 33.47 30.95 3kgg s TRP 293 CO 0.06 -0.10 0.14 -1.59 0.02 0.00 0.00 176.95 175.48 3kgg s LYS 294 N -3.87 0.44 0.15 4.98 -2.85 -0.23 -0.23 119.74 118.12 3kgg s LYS 294 Ca 0.34 -0.31 -0.14 0.00 -1.00 0.00 0.00 55.97 54.86 3kgg s LYS 294 Cb 0.07 0.18 0.02 0.00 -2.06 0.00 0.00 37.83 36.04 3kgg s LYS 294 CO 0.15 -0.10 0.38 -0.59 0.10 0.00 0.00 175.35 175.29 3kgg s PHE 295 N -1.17 0.03 -0.21 1.78 -0.71 -0.78 -0.83 117.98 116.09 3kgg s PHE 295 Ca -0.13 -0.38 -0.14 0.00 -1.04 0.00 0.00 56.93 55.24 3kgg s PHE 295 Cb -0.07 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.87 3kgg s PHE 295 CO 0.01 -0.75 0.33 -1.21 -1.34 0.00 0.00 175.22 172.26 3kgg s GLU 296 N -3.88 4.15 0.77 1.99 0.41 -1.26 -0.94 118.70 119.95 3kgg s GLU 296 Ca 0.09 0.07 -0.05 0.00 -0.41 0.00 0.00 54.97 54.67 3kgg s GLU 296 Cb 0.02 -3.53 0.13 0.00 -1.78 0.00 0.00 34.13 28.97 3kgg s GLU 296 CO -0.06 0.01 1.06 -0.46 -0.49 0.00 0.00 175.26 175.32 3kgg s TRP 297 N 1.17 1.83 -0.36 1.61 -0.00 0.81 -4.97 118.94 119.03 3kgg s TRP 297 Ca 0.16 -0.03 0.27 0.00 -0.00 0.00 0.00 56.10 56.50 3kgg s TRP 297 Cb -0.14 -3.27 0.99 0.00 -0.00 0.00 0.00 33.47 31.05 3kgg s TRP 297 CO 0.07 -1.84 1.79 1.96 -0.00 0.00 0.00 176.95 178.92 3kgg h GLN 298 N -0.76 0.00 -2.91 5.86 4.20 -1.98 -3.47 115.11 116.04 3kgg h GLN 298 Ca -0.40 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.34 3kgg h GLN 298 Cb 1.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 3kgg h GLN 298 CO 0.43 0.00 0.32 -0.98 -0.67 0.00 0.00 178.83 177.93 3kgg s ARG 299 N -3.36 2.03 0.73 1.46 1.70 -1.26 -5.10 118.95 115.15 3kgg s ARG 299 Ca 0.05 -1.29 -0.12 0.00 -0.47 0.00 0.00 55.73 53.90 3kgg s ARG 299 Cb 0.09 0.58 0.04 0.00 -0.57 0.00 0.00 34.95 35.09 3kgg s ARG 299 CO 0.50 -0.95 1.10 -0.80 -1.08 0.00 0.00 175.30 174.07 3kgg s ASN 300 N -3.11 4.73 0.69 -2.89 -0.87 -1.26 -4.44 114.94 107.80 3kgg s ASN 300 Ca 0.16 1.88 -0.10 0.00 -1.57 0.00 0.00 52.86 53.23 3kgg s ASN 300 Cb -0.05 -2.53 0.03 0.00 -0.02 0.00 0.00 41.25 38.68 3kgg s ASN 300 CO 0.10 -1.88 1.05 -0.83 -2.57 0.00 0.00 177.10 172.97 3kgg s GLY 301 N -3.12 1.62 0.25 0.66 0.00 -1.21 0.17 107.32 105.69 3kgg s GLY 301 Ca 0.63 -0.53 -0.30 0.00 0.00 0.00 0.00 44.72 44.52 3kgg s GLY 301 CO 0.51 -0.16 1.09 1.25 0.00 0.00 0.00 173.10 175.78 3kgg s LYS 302 N -5.29 4.65 0.31 2.90 2.47 -0.75 -3.78 119.74 120.25 3kgg s LYS 302 Ca 0.58 1.76 -0.30 0.00 -1.56 0.00 0.00 55.97 56.45 3kgg s LYS 302 Cb -0.11 -3.22 -0.11 0.00 -1.46 0.00 0.00 37.83 32.93 3kgg s LYS 302 CO 0.49 0.20 1.59 0.15 0.16 0.00 0.00 175.35 177.94 3kgg s LYS 303 N -1.12 4.10 0.67 4.03 1.02 -1.26 -4.90 119.74 122.28 3kgg s LYS 303 Ca 0.46 2.60 -0.09 0.00 0.02 0.00 0.00 55.97 58.96 3kgg s LYS 303 Cb -0.31 -3.01 0.02 0.00 -0.52 0.00 0.00 37.83 34.02 3kgg s LYS 303 CO 0.39 -0.64 1.02 -0.65 -0.92 0.00 0.00 175.35 174.54 3kgg s GLN 304 N -0.75 2.76 0.26 1.68 -1.52 -1.26 -4.95 119.66 115.87 3kgg s GLN 304 Ca 0.62 0.19 -0.02 0.00 -1.95 0.00 0.00 55.36 54.20 3kgg s GLN 304 Cb -0.48 -2.13 0.47 0.00 -0.22 0.00 0.00 33.01 30.65 3kgg s GLN 304 CO 0.51 -0.96 1.80 -0.92 -0.25 0.00 0.00 175.29 175.47 3kgg h TYR 305 N -0.49 0.90 0.00 0.91 3.20 -1.88 -1.29 116.97 118.31 3kgg h TYR 305 Ca -0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.45 3kgg h TYR 305 Cb 1.27 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.26 3kgg h TYR 305 CO 0.46 0.33 0.00 0.00 -1.64 0.00 0.00 178.16 177.31 3kgg n GLU 307 N -1.90 0.00 -2.42 0.00 1.02 -0.49 -4.78 120.64 112.08 3kgg n GLU 307 Ca 0.00 -0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 3kgg n GLU 307 Cb 0.08 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.02 3kgg n GLU 307 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3kgg s THR 308 N -3.00 4.15 -0.17 2.62 -4.23 -0.71 -4.99 115.64 109.30 3kgg s THR 308 Ca 0.09 0.15 -0.06 0.00 -1.18 0.00 0.00 61.69 60.69 3kgg s THR 308 Cb 0.17 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 3kgg s THR 308 CO 0.79 -0.65 0.04 -0.76 -0.54 0.00 0.00 174.62 173.50 3kgg s LEU 309 N -4.94 3.69 0.03 4.79 1.43 -1.26 -5.00 118.68 117.43 3kgg s LEU 309 Ca 0.52 0.05 -0.19 0.00 -1.03 0.00 0.00 54.13 53.48 3kgg s LEU 309 Cb -0.10 -1.92 -0.19 0.00 0.03 0.00 0.00 46.19 44.00 3kgg s LEU 309 CO 0.46 0.19 1.19 0.50 0.23 0.00 0.00 176.35 178.92 3kgg h LYS 310 N 6.57 0.47 -1.47 1.70 3.64 -1.97 -3.33 116.57 122.18 3kgg h LYS 310 Ca -0.37 -0.40 -0.69 0.00 -1.27 0.00 0.00 60.65 57.92 3kgg h LYS 310 Cb 1.17 0.09 -0.31 0.00 -0.41 0.00 0.00 32.23 32.77 3kgg h LYS 310 CO 0.68 1.04 0.58 1.19 -2.27 0.00 0.00 179.45 180.67 3kgg n PHE 311 N -4.26 3.10 -2.52 1.91 3.72 -1.26 -5.01 117.46 113.15 3kgg n PHE 311 Ca -0.09 -2.66 -0.23 0.00 -0.05 0.00 0.00 57.45 54.42 3kgg n PHE 311 Cb 0.60 -1.05 0.09 0.00 -0.94 0.00 0.00 39.48 38.18 3kgg n PHE 311 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kgg s GLY 312 N -1.91 1.77 -0.22 1.37 0.00 -1.25 -5.04 107.32 102.04 3kgg s GLY 312 Ca 0.56 -1.49 -0.18 0.00 0.00 0.00 0.00 44.72 43.61 3kgg s GLY 312 CO -0.20 -1.01 0.02 1.39 0.00 0.00 0.00 173.10 173.29 3kgg n ILE 313 N -2.75 1.52 1.14 0.90 5.41 -1.26 -5.14 119.36 119.18 3kgg n ILE 313 Ca 0.12 -0.08 0.13 0.00 1.00 0.00 0.00 62.75 63.92 3kgg n ILE 313 Cb 0.60 -2.05 0.22 0.00 -0.71 0.00 0.00 39.64 37.70 3kgg n ILE 313 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04