#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vr8 h ILE -6 N 0.00 1.28 -3.24 -0.18 3.07 -2.05 -3.41 117.51 112.98 1vr8 h ILE -6 Ca 0.00 -1.36 -0.53 0.00 1.55 0.00 0.00 64.86 64.52 1vr8 h ILE -6 Cb 0.00 1.63 -0.36 0.00 -0.27 0.00 0.00 36.82 37.82 1vr8 h ILE -6 CO 0.00 0.40 -0.81 -1.00 -1.05 0.00 0.00 178.15 175.69 1vr8 s HIS -5 N -4.23 1.56 -1.42 0.16 3.76 -1.26 -4.98 115.29 108.89 1vr8 s HIS -5 Ca -0.04 -0.74 0.28 0.00 -0.15 0.00 0.00 55.06 54.41 1vr8 s HIS -5 Cb 0.14 -1.23 1.16 0.00 1.11 0.00 0.00 32.58 33.76 1vr8 s HIS -5 CO 0.75 -0.47 1.83 0.72 -0.85 0.00 0.00 174.74 176.73 1vr8 n HIS -4 N 4.60 0.00 -3.80 1.40 8.25 -1.26 -4.78 115.22 119.63 1vr8 n HIS -4 Ca -0.16 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.16 1vr8 n HIS -4 Cb 0.50 -0.26 -0.15 0.00 1.12 0.00 0.00 29.99 31.20 1vr8 n HIS -4 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1vr8 s HIS -3 N -2.65 0.01 0.22 4.41 3.76 -1.26 -0.79 115.29 118.98 1vr8 s HIS -3 Ca 0.24 0.11 -0.05 0.00 -0.15 0.00 0.00 55.06 55.21 1vr8 s HIS -3 Cb 0.20 -0.15 0.02 0.00 1.11 0.00 0.00 32.58 33.75 1vr8 s HIS -3 CO 0.51 -0.07 0.38 1.58 -0.85 0.00 0.00 174.74 176.30 1vr8 n HIS -2 N 3.83 -1.45 -1.49 1.40 -0.00 -1.26 -5.03 115.22 111.22 1vr8 n HIS -2 Ca -0.23 -1.21 -0.30 0.00 -0.00 0.00 0.00 57.72 55.99 1vr8 n HIS -2 Cb 0.53 0.44 -0.00 0.00 -0.00 0.00 0.00 29.99 30.96 1vr8 n HIS -2 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1vr8 n HIS -1 N -0.32 2.14 -3.46 1.57 8.25 -1.26 -2.93 115.22 119.21 1vr8 n HIS -1 Ca -0.03 -2.18 -0.13 0.00 -0.26 0.00 0.00 57.72 55.12 1vr8 n HIS -1 Cb 0.34 -1.27 -0.03 0.00 1.12 0.00 0.00 29.99 30.15 1vr8 n HIS -1 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1vr8 s HIS 0 N -2.60 -0.55 0.97 4.41 -3.43 -1.26 -4.89 115.29 107.93 1vr8 s HIS 0 Ca 0.53 0.50 -0.11 0.00 -0.80 0.00 0.00 55.06 55.18 1vr8 s HIS 0 Cb 0.39 0.51 0.18 0.00 -1.43 0.00 0.00 32.58 32.22 1vr8 s HIS 0 CO -0.21 -0.78 1.09 -2.14 -2.00 0.00 0.00 174.74 170.69 1vr8 s PRO 25 N -3.12 0.60 0.80 -0.38 0.02 -1.26 -4.81 135.00 126.86 1vr8 s PRO 25 Ca -0.02 1.08 -0.14 0.00 0.02 0.00 0.00 61.00 61.94 1vr8 s PRO 25 Cb -0.01 -1.71 0.03 0.00 0.02 0.00 0.00 34.50 32.83 1vr8 s PRO 25 CO -0.07 -2.76 0.82 -2.30 -0.33 0.00 0.00 177.00 172.36 1vr8 n PRO 26 N -4.28 0.15 0.18 5.54 -0.02 -1.26 -4.90 135.00 130.42 1vr8 n PRO 26 Ca 0.07 0.11 0.06 0.00 -2.02 0.00 0.00 63.50 61.72 1vr8 n PRO 26 Cb 0.54 -2.12 0.52 0.00 -0.02 0.00 0.00 33.50 32.42 1vr8 n PRO 26 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1vr8 h GLU 27 N -0.82 0.13 -0.00 -0.52 5.08 -1.94 -2.32 114.58 114.19 1vr8 h GLU 27 Ca -0.46 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1vr8 h GLU 27 Cb 1.31 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1vr8 h GLU 27 CO 0.43 0.17 -0.07 0.00 -1.00 0.00 0.00 179.01 178.54 1vr8 n ALA 28 N -2.51 2.69 -1.78 3.43 0.00 -1.26 -4.94 120.51 116.14 1vr8 n ALA 28 Ca -0.01 -0.24 -0.37 0.00 0.00 0.00 0.00 53.44 52.82 1vr8 n ALA 28 Cb 0.16 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 1vr8 n ALA 28 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1vr8 s TYR 29 N -2.44 3.34 0.28 0.00 5.04 -0.88 -4.98 117.35 117.71 1vr8 s TYR 29 Ca 0.31 1.66 -0.30 0.00 -2.44 0.00 0.00 57.07 56.30 1vr8 s TYR 29 Cb 0.20 -3.13 -0.10 0.00 0.35 0.00 0.00 41.96 39.28 1vr8 s TYR 29 CO 0.46 -0.55 1.42 0.45 -1.34 0.00 0.00 175.55 175.99 1vr8 s SER 30 N -1.49 6.65 0.21 4.32 0.15 -1.26 -4.94 113.70 117.33 1vr8 s SER 30 Ca 0.56 2.71 -0.10 0.00 0.70 0.00 0.00 55.95 59.82 1vr8 s SER 30 Cb -0.23 -2.63 0.19 0.00 -1.71 0.00 0.00 66.02 61.63 1vr8 s SER 30 CO 0.29 -0.68 1.85 0.25 1.20 0.00 0.00 173.24 176.14 1vr8 h LEU 31 N 4.48 0.72 -0.41 3.45 6.46 -1.99 -0.67 115.31 127.35 1vr8 h LEU 31 Ca -0.47 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1vr8 h LEU 31 Cb 1.22 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.98 1vr8 h LEU 31 CO 0.74 0.50 0.25 0.44 -0.62 0.00 0.00 178.44 179.75 1vr8 h ASP 32 N 0.86 0.49 0.07 1.25 3.32 -2.01 -2.38 116.42 118.02 1vr8 h ASP 32 Ca 0.28 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 1vr8 h ASP 32 Cb 0.02 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1vr8 h ASP 32 CO -0.11 0.38 -0.22 0.74 -1.72 0.00 0.00 179.24 178.31 1vr8 h THR 33 N 0.54 1.23 -0.12 0.35 2.02 -1.87 -1.04 112.91 114.03 1vr8 h THR 33 Ca 0.15 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.30 1vr8 h THR 33 Cb -0.02 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1vr8 h THR 33 CO -0.03 0.33 0.09 0.00 0.37 0.00 0.00 175.52 176.27 1vr8 h ALA 34 N 1.53 2.10 0.00 6.16 0.00 -0.61 0.02 119.26 128.45 1vr8 h ALA 34 Ca 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1vr8 h ALA 34 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1vr8 h ALA 34 CO 0.04 -0.13 -0.00 0.82 0.00 0.00 0.00 179.25 179.98 1vr8 h ILE 35 N 0.01 1.42 0.00 0.00 2.04 -1.02 -3.39 117.51 116.57 1vr8 h ILE 35 Ca 0.06 -2.05 -0.06 0.00 1.00 0.00 0.00 64.86 63.80 1vr8 h ILE 35 Cb 0.21 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 1vr8 h ILE 35 CO -0.00 0.48 -0.29 -0.26 0.00 0.00 0.00 178.15 178.07 1vr8 h PHE 36 N -1.00 0.00 0.00 1.37 0.04 -0.80 -1.70 116.94 114.85 1vr8 h PHE 36 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1vr8 h PHE 36 Cb 0.79 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1vr8 h PHE 36 CO 0.22 0.29 0.00 1.55 -0.60 0.00 0.00 178.31 179.77 1vr8 n VAL 37 N -4.10 0.85 0.78 -0.55 3.14 -0.04 -2.60 118.33 115.80 1vr8 n VAL 37 Ca -0.02 0.33 0.13 0.00 -2.96 0.00 0.00 64.34 61.82 1vr8 n VAL 37 Cb 0.35 -1.29 0.41 0.00 -1.06 0.00 0.00 33.84 32.25 1vr8 n VAL 37 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1vr8 n LEU 38 N -2.29 0.51 -4.76 6.55 4.77 -0.64 -4.88 117.00 116.25 1vr8 n LEU 38 Ca 0.01 0.42 -0.41 0.00 -0.03 0.00 0.00 56.01 56.00 1vr8 n LEU 38 Cb 0.19 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1vr8 n LEU 38 CO 0.18 -0.06 0.94 -0.70 -1.33 0.00 0.00 177.39 176.42 1vr8 s GLU 39 N -3.07 4.42 0.29 3.23 2.12 -1.07 -4.85 118.70 119.76 1vr8 s GLU 39 Ca 0.11 2.11 0.04 0.00 0.36 0.00 0.00 54.97 57.59 1vr8 s GLU 39 Cb 0.15 -3.11 -0.02 0.00 0.26 0.00 0.00 34.13 31.41 1vr8 s GLU 39 CO 0.61 -0.11 0.29 0.25 -0.54 0.00 0.00 175.26 175.76 1vr8 n THR 40 N 1.13 0.00 0.30 -1.70 -2.24 -0.64 -4.96 114.28 106.17 1vr8 n THR 40 Ca 0.01 -1.92 0.17 0.00 -2.27 0.00 0.00 64.05 60.04 1vr8 n THR 40 Cb 0.42 1.01 0.91 0.00 -2.10 0.00 0.00 70.33 70.57 1vr8 n THR 40 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1vr8 h ARG 41 N 0.00 0.00 -0.00 -0.78 -0.00 -2.01 -2.54 114.38 109.05 1vr8 h ARG 41 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.77 1vr8 h ARG 41 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.99 1vr8 h ARG 41 CO 0.30 0.04 -0.75 -0.25 -0.00 0.00 0.00 179.97 179.31 1vr8 n ASP 42 N -3.42 1.00 -3.57 0.08 8.00 -1.26 -4.68 116.55 112.70 1vr8 n ASP 42 Ca -0.02 -0.86 -0.29 0.00 0.71 0.00 0.00 54.79 54.33 1vr8 n ASP 42 Cb 0.17 0.68 -0.12 0.00 -0.02 0.00 0.00 41.12 41.83 1vr8 n ASP 42 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1vr8 s TYR 43 N -2.90 1.36 -0.21 1.24 2.02 -0.96 -4.32 117.35 113.59 1vr8 s TYR 43 Ca 0.11 -2.08 -0.12 0.00 -0.37 0.00 0.00 57.07 54.61 1vr8 s TYR 43 Cb 0.17 -1.36 -0.05 0.00 -0.40 0.00 0.00 41.96 40.32 1vr8 s TYR 43 CO 0.76 -0.80 0.23 1.03 -1.57 0.00 0.00 175.55 175.20 1vr8 s ARG 44 N 0.59 4.16 0.03 -0.62 1.81 -0.58 -1.62 118.95 122.71 1vr8 s ARG 44 Ca 0.20 -0.09 -0.30 0.00 -1.72 0.00 0.00 55.73 53.81 1vr8 s ARG 44 Cb -0.20 -3.49 -0.06 0.00 -0.45 0.00 0.00 34.95 30.76 1vr8 s ARG 44 CO -0.02 0.13 1.30 -1.17 -0.68 0.00 0.00 175.30 174.86 1vr8 s LEU 45 N 0.83 4.34 -0.00 2.53 2.96 -1.26 0.22 118.68 128.28 1vr8 s LEU 45 Ca 0.12 2.06 0.04 0.00 -0.22 0.00 0.00 54.13 56.13 1vr8 s LEU 45 Cb -0.13 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 1vr8 s LEU 45 CO 0.03 -0.60 0.11 -1.54 -1.32 0.00 0.00 176.35 173.04 1vr8 n SER 46 N 4.63 2.81 -3.57 3.68 3.41 0.64 -4.90 113.62 120.32 1vr8 n SER 46 Ca 0.11 -0.19 -0.15 0.00 -0.26 0.00 0.00 58.87 58.37 1vr8 n SER 46 Cb 0.45 1.12 -0.06 0.00 -0.26 0.00 0.00 64.21 65.46 1vr8 n SER 46 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1vr8 s ASP 47 N -2.10 -0.65 -0.03 4.04 -1.08 -1.18 -4.96 116.67 110.70 1vr8 s ASP 47 Ca -0.01 0.96 -0.01 0.00 -0.52 0.00 0.00 52.55 52.98 1vr8 s ASP 47 Cb 0.03 0.87 0.03 0.00 -1.46 0.00 0.00 42.92 42.38 1vr8 s ASP 47 CO 0.16 -0.43 0.06 -0.69 0.52 0.00 0.00 175.17 174.79 1vr8 s VAL 48 N -0.53 -0.05 -0.08 1.11 1.01 -1.26 -1.07 120.40 119.53 1vr8 s VAL 48 Ca -0.05 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 1vr8 s VAL 48 Cb -0.02 -0.11 0.03 0.00 0.00 0.00 0.00 36.38 36.28 1vr8 s VAL 48 CO 0.05 0.07 0.19 -0.75 0.00 0.00 0.00 175.10 174.66 1vr8 s LYS 49 N 0.89 0.18 0.38 2.72 2.20 -0.06 -5.01 119.74 121.04 1vr8 s LYS 49 Ca -0.07 0.37 -0.27 0.00 -0.36 0.00 0.00 55.97 55.64 1vr8 s LYS 49 Cb -0.10 -0.04 -0.09 0.00 -1.51 0.00 0.00 37.83 36.09 1vr8 s LYS 49 CO -0.03 -0.10 1.26 -1.21 -0.36 0.00 0.00 175.35 174.91 1vr8 s GLU 50 N 0.74 4.10 0.12 4.03 2.02 -1.26 -0.64 118.70 127.80 1vr8 s GLU 50 Ca -0.05 2.08 0.05 0.00 0.02 0.00 0.00 54.97 57.06 1vr8 s GLU 50 Cb -0.07 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 1vr8 s GLU 50 CO -0.04 -0.35 -0.12 0.96 0.02 0.00 0.00 175.26 175.73 1vr8 s ILE 51 N -1.27 1.14 -0.29 -1.63 -4.36 -0.38 -4.88 121.20 109.54 1vr8 s ILE 51 Ca 0.55 -1.75 0.13 0.00 -0.26 0.00 0.00 60.65 59.31 1vr8 s ILE 51 Cb -0.36 -1.52 -0.17 0.00 1.25 0.00 0.00 42.46 41.66 1vr8 s ILE 51 CO 0.47 -0.54 0.40 0.47 0.24 0.00 0.00 174.94 175.98 1vr8 n ASP 52 N 0.40 1.37 -3.58 4.36 8.00 -1.26 -1.83 116.55 124.01 1vr8 n ASP 52 Ca -0.15 -0.38 -0.11 0.00 0.71 0.00 0.00 54.79 54.86 1vr8 n ASP 52 Cb 0.58 1.30 -0.04 0.00 -0.02 0.00 0.00 41.12 42.94 1vr8 n ASP 52 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1vr8 s SER 53 N -2.85 -0.33 -0.30 -2.24 1.04 -1.26 -3.92 113.70 103.84 1vr8 s SER 53 Ca -0.00 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.25 1vr8 s SER 53 Cb 0.09 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.78 1vr8 s SER 53 CO 0.52 -0.86 -0.02 -0.47 0.98 0.00 0.00 173.24 173.39 1vr8 s TYR 54 N -3.62 3.37 0.00 5.02 6.14 0.03 -4.97 117.35 123.32 1vr8 s TYR 54 Ca 0.01 -2.26 0.00 0.00 0.64 0.00 0.00 57.07 55.46 1vr8 s TYR 54 Cb 0.01 -2.25 0.00 0.00 0.42 0.00 0.00 41.96 40.14 1vr8 s TYR 54 CO -0.11 -0.87 0.00 0.41 0.64 0.00 0.00 175.55 175.62 1vr8 n GLY 55 N 4.49 3.66 0.60 8.97 0.00 -1.26 -1.21 105.19 120.44 1vr8 n GLY 55 Ca -0.10 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1vr8 n GLY 55 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vr8 n ASP 56 N 6.07 1.77 -4.52 1.61 5.75 -1.26 -4.86 116.55 121.10 1vr8 n ASP 56 Ca 0.00 -1.86 -0.36 0.00 -0.01 0.00 0.00 54.79 52.57 1vr8 n ASP 56 Cb 0.00 -0.17 -0.11 0.00 -1.03 0.00 0.00 41.12 39.80 1vr8 n ASP 56 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1vr8 s VAL 57 N -1.65 4.48 0.79 2.12 1.01 -0.35 -5.13 120.40 121.66 1vr8 s VAL 57 Ca 0.28 -0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 1vr8 s VAL 57 Cb 0.15 -3.06 0.07 0.00 0.00 0.00 0.00 36.38 33.54 1vr8 s VAL 57 CO 0.21 0.39 1.13 -0.70 0.00 0.00 0.00 175.10 176.13 1vr8 s GLU 58 N 1.09 1.96 -0.25 2.72 2.12 -1.26 -0.79 118.70 124.29 1vr8 s GLU 58 Ca 0.04 1.41 -0.02 0.00 0.36 0.00 0.00 54.97 56.76 1vr8 s GLU 58 Cb -0.14 -1.85 0.14 0.00 0.26 0.00 0.00 34.13 32.54 1vr8 s GLU 58 CO 0.03 -1.90 0.40 0.15 -0.54 0.00 0.00 175.26 173.40 1vr8 s LYS 60 N -4.54 0.37 0.00 4.30 1.02 -1.25 -4.84 119.74 114.80 1vr8 s LYS 60 Ca 0.66 0.55 0.00 0.00 0.02 0.00 0.00 55.97 57.20 1vr8 s LYS 60 Cb -0.21 -0.38 0.00 0.00 -0.52 0.00 0.00 37.83 36.72 1vr8 s LYS 60 CO 0.53 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 174.70 1vr8 n GLY 61 N 5.37 3.02 3.03 -3.33 0.00 -0.76 -4.58 105.19 107.93 1vr8 n GLY 61 Ca -0.03 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 1vr8 n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vr8 s LYS 62 N 2.57 0.45 -0.05 1.61 1.02 -0.66 -1.25 119.74 123.42 1vr8 s LYS 62 Ca 0.00 -0.88 0.06 0.00 0.02 0.00 0.00 55.97 55.18 1vr8 s LYS 62 Cb 0.00 0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 37.44 1vr8 s LYS 62 CO 0.00 -0.07 -0.24 0.54 -0.92 0.00 0.00 175.35 174.65 1vr8 s VAL 63 N -2.51 1.99 0.03 3.17 0.11 0.19 -0.46 120.40 122.91 1vr8 s VAL 63 Ca -0.06 -1.03 0.08 0.00 -2.93 0.00 0.00 61.98 58.04 1vr8 s VAL 63 Cb -0.02 -1.68 -0.03 0.00 -1.53 0.00 0.00 36.38 33.12 1vr8 s VAL 63 CO -0.05 0.55 -0.25 0.00 -3.33 0.00 0.00 175.10 172.03 1vr8 s ALA 64 N -0.19 2.09 -0.17 1.54 0.00 0.58 -0.88 121.76 124.74 1vr8 s ALA 64 Ca -0.02 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 1vr8 s ALA 64 Cb -0.13 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1vr8 s ALA 64 CO 0.03 0.49 -0.06 0.08 0.00 0.00 0.00 175.76 176.30 1vr8 s VAL 65 N -0.76 3.58 -0.15 0.00 1.01 -0.23 -0.26 120.40 123.59 1vr8 s VAL 65 Ca 0.10 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1vr8 s VAL 65 Cb -0.10 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1vr8 s VAL 65 CO 0.01 0.48 -0.07 -0.36 0.00 0.00 0.00 175.10 175.16 1vr8 s PHE 66 N 0.63 2.94 -0.04 5.22 0.40 -0.17 -0.26 117.98 126.71 1vr8 s PHE 66 Ca -0.04 -0.45 -0.27 0.00 -0.60 0.00 0.00 56.93 55.57 1vr8 s PHE 66 Cb -0.15 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 1vr8 s PHE 66 CO 0.02 -0.12 0.84 -1.21 0.70 0.00 0.00 175.22 175.46 1vr8 s GLU 67 N 0.39 4.49 0.31 0.44 0.41 0.13 -1.16 118.70 123.71 1vr8 s GLU 67 Ca -0.07 1.15 0.03 0.00 -0.41 0.00 0.00 54.97 55.67 1vr8 s GLU 67 Cb -0.15 -3.46 -0.05 0.00 -1.78 0.00 0.00 34.13 28.70 1vr8 s GLU 67 CO 0.04 -0.01 0.11 0.95 -0.49 0.00 0.00 175.26 175.86 1vr8 s THR 68 N 0.96 0.66 0.21 3.63 -4.23 -1.04 -1.53 115.64 114.31 1vr8 s THR 68 Ca 0.45 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.31 1vr8 s THR 68 Cb -0.19 -2.61 0.39 0.00 1.34 0.00 0.00 72.50 71.43 1vr8 s THR 68 CO 0.23 0.00 2.07 1.05 -0.54 0.00 0.00 174.62 177.42 1vr8 h GLU 69 N 2.20 0.00 0.00 3.99 4.11 -1.97 -2.30 114.58 120.61 1vr8 h GLU 69 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 1vr8 h GLU 69 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1vr8 h GLU 69 CO 0.60 0.00 -0.46 0.66 0.07 0.00 0.00 179.01 179.88 1vr8 n TYR 70 N -2.98 0.53 0.00 2.06 4.01 -1.26 -5.06 117.16 114.46 1vr8 n TYR 70 Ca -0.00 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1vr8 n TYR 70 Cb 0.22 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 38.59 1vr8 n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vr8 n GLY 71 N 1.36 0.07 3.76 2.72 0.00 -0.87 -4.58 105.19 107.65 1vr8 n GLY 71 Ca 0.04 -2.29 -0.40 0.00 0.00 0.00 0.00 46.02 43.37 1vr8 n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vr8 s PRO 72 N -0.30 4.70 -0.05 1.61 0.04 -1.26 -2.51 135.00 137.24 1vr8 s PRO 72 Ca 0.00 1.72 0.06 0.00 0.04 0.00 0.00 61.00 62.81 1vr8 s PRO 72 Cb 0.00 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.32 1vr8 s PRO 72 CO 0.00 0.30 -0.22 0.08 0.04 0.00 0.00 177.00 177.20 1vr8 s VAL 73 N -1.16 1.78 -0.16 -0.36 1.01 -0.31 -4.47 120.40 116.73 1vr8 s VAL 73 Ca 0.44 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 1vr8 s VAL 73 Cb -0.30 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1vr8 s VAL 73 CO 0.39 0.50 0.06 -0.36 0.00 0.00 0.00 175.10 175.69 1vr8 s PHE 74 N -0.15 3.28 -0.18 5.22 0.40 0.40 -1.00 117.98 125.95 1vr8 s PHE 74 Ca -0.02 0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.46 1vr8 s PHE 74 Cb -0.12 -2.03 0.02 0.00 0.51 0.00 0.00 43.02 41.40 1vr8 s PHE 74 CO 0.02 0.26 -0.20 -1.17 0.70 0.00 0.00 175.22 174.84 1vr8 s LEU 75 N 0.05 2.16 -0.17 -0.37 2.96 0.64 -1.04 118.68 122.91 1vr8 s LEU 75 Ca 0.06 -0.66 -0.08 0.00 -0.22 0.00 0.00 54.13 53.23 1vr8 s LEU 75 Cb -0.12 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1vr8 s LEU 75 CO 0.01 -0.00 0.09 -0.31 -1.32 0.00 0.00 176.35 174.81 1vr8 s TYR 76 N 1.29 3.35 -0.02 5.38 1.51 0.78 -0.31 117.35 129.32 1vr8 s TYR 76 Ca 0.05 0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.37 1vr8 s TYR 76 Cb -0.13 -2.06 -0.00 0.00 -0.11 0.00 0.00 41.96 39.66 1vr8 s TYR 76 CO -0.13 0.31 -0.11 0.14 -1.11 0.00 0.00 175.55 174.65 1vr8 s VAL 77 N 0.04 0.95 -0.03 0.71 -7.23 0.39 -1.03 120.40 114.20 1vr8 s VAL 77 Ca 0.07 -0.47 0.02 0.00 -1.81 0.00 0.00 61.98 59.80 1vr8 s VAL 77 Cb -0.12 -0.82 0.00 0.00 0.56 0.00 0.00 36.38 36.00 1vr8 s VAL 77 CO 0.00 0.28 -0.09 -0.47 -0.31 0.00 0.00 175.10 174.52 1vr8 s TYR 78 N 0.04 0.94 -0.09 2.82 6.14 -0.35 -1.65 117.35 125.19 1vr8 s TYR 78 Ca -0.01 -0.24 0.04 0.00 0.64 0.00 0.00 57.07 57.50 1vr8 s TYR 78 Cb -0.08 -0.68 -0.00 0.00 0.42 0.00 0.00 41.96 41.62 1vr8 s TYR 78 CO 0.01 -0.11 -0.23 0.21 0.64 0.00 0.00 175.55 176.06 1vr8 s LYS 79 N 0.25 2.94 0.00 4.97 2.20 -1.26 -1.28 119.74 127.55 1vr8 s LYS 79 Ca -0.04 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.71 1vr8 s LYS 79 Cb -0.09 -2.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 1vr8 s LYS 79 CO 0.01 0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.60 1vr8 n GLY 80 N 3.48 -2.06 0.00 5.54 0.00 0.55 -4.97 105.19 107.73 1vr8 n GLY 80 Ca -0.19 -1.43 0.14 0.00 0.00 0.00 0.00 46.02 44.53 1vr8 n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vr8 n GLU 81 N -1.03 0.27 -0.69 1.61 4.71 -1.26 -3.58 120.64 120.67 1vr8 n GLU 81 Ca 0.00 0.02 -0.00 0.00 -0.01 0.00 0.00 57.16 57.17 1vr8 n GLU 81 Cb 0.00 -1.50 0.23 0.00 -1.01 0.00 0.00 31.44 29.16 1vr8 n GLU 81 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1vr8 n GLU 82 N -1.36 2.41 -0.03 3.49 1.02 -1.26 -4.74 120.64 120.18 1vr8 n GLU 82 Ca 0.11 -3.02 -0.10 0.00 -0.02 0.00 0.00 57.16 54.13 1vr8 n GLU 82 Cb 0.26 -1.87 -0.04 0.00 -0.02 0.00 0.00 31.44 29.77 1vr8 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vr8 h ALA 83 N 1.41 0.19 -0.09 0.62 0.00 -1.85 -1.92 119.26 117.63 1vr8 h ALA 83 Ca 0.15 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1vr8 h ALA 83 Cb 1.68 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 1vr8 h ALA 83 CO 0.38 -0.35 -0.03 -0.22 0.00 0.00 0.00 179.25 179.03 1vr8 h LYS 84 N 0.17 -0.02 -0.58 0.00 3.64 -1.86 -0.50 116.57 117.43 1vr8 h LYS 84 Ca 0.07 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1vr8 h LYS 84 Cb 0.01 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 1vr8 h LYS 84 CO -0.05 -0.01 0.23 -0.22 -2.27 0.00 0.00 179.45 177.13 1vr8 h LYS 85 N -0.02 0.41 -0.14 1.90 3.64 -1.84 0.14 116.57 120.66 1vr8 h LYS 85 Ca 0.05 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1vr8 h LYS 85 Cb 0.09 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1vr8 h LYS 85 CO -0.11 0.27 -0.06 0.82 -2.27 0.00 0.00 179.45 178.11 1vr8 h ILE 86 N 0.43 1.31 -0.81 2.00 2.04 -1.18 -1.26 117.51 120.03 1vr8 h ILE 86 Ca 0.28 -1.07 0.05 0.00 1.00 0.00 0.00 64.86 65.12 1vr8 h ILE 86 Cb 0.31 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 1vr8 h ILE 86 CO -0.27 0.31 0.50 -0.25 0.00 0.00 0.00 178.15 178.45 1vr8 h TRP 87 N -0.04 0.93 -0.72 1.37 7.01 -0.67 0.15 115.95 123.99 1vr8 h TRP 87 Ca 0.03 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.00 1vr8 h TRP 87 Cb 0.51 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 1vr8 h TRP 87 CO 0.06 0.49 0.21 0.87 -2.79 0.00 0.00 178.44 177.28 1vr8 h LYS 88 N 0.93 1.12 -0.71 2.65 1.57 -0.57 1.00 116.57 122.57 1vr8 h LYS 88 Ca 0.35 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1vr8 h LYS 88 Cb 0.13 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1vr8 h LYS 88 CO -0.16 0.97 0.31 0.87 -0.57 0.00 0.00 179.45 180.86 1vr8 h LYS 89 N 1.08 1.03 -0.31 3.15 1.57 -0.14 -1.57 116.57 121.36 1vr8 h LYS 89 Ca 0.23 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1vr8 h LYS 89 Cb 0.32 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1vr8 h LYS 89 CO -0.01 0.82 0.04 -0.07 -0.57 0.00 0.00 179.45 179.66 1vr8 h LEU 90 N 1.01 0.50 -1.38 2.94 3.38 -0.18 -2.69 115.31 118.90 1vr8 h LEU 90 Ca 0.24 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1vr8 h LEU 90 Cb 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1vr8 h LEU 90 CO -0.03 0.65 -0.16 -1.13 0.09 0.00 0.00 178.44 177.86 1vr8 h ASN 91 N 0.34 0.21 0.41 -0.43 -1.24 -0.60 -2.44 115.58 111.83 1vr8 h ASN 91 Ca 0.09 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.06 1vr8 h ASN 91 Cb 0.36 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1vr8 h ASN 91 CO 0.01 0.39 -0.05 0.61 -1.29 0.00 0.00 177.43 177.10 1vr8 n GLY 92 N -0.83 -1.09 0.00 1.57 0.00 -0.61 -5.10 105.19 99.14 1vr8 n GLY 92 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1vr8 n GLY 92 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1vr8 n ARG 93 N -1.09 0.00 0.00 1.61 1.85 -0.92 -5.08 116.66 113.03 1vr8 n ARG 93 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 1vr8 n ARG 93 Cb 0.24 -0.28 0.00 0.00 -1.05 0.00 0.00 32.46 31.37 1vr8 n ARG 93 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1vr8 n VAL 97 N -0.33 0.00 -0.10 8.89 0.24 -1.26 -5.06 118.33 120.71 1vr8 n VAL 97 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1vr8 n VAL 97 Cb 0.00 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 1vr8 n VAL 97 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1vr8 n SER 98 N -0.70 2.35 -4.38 -1.34 7.64 -1.26 -5.01 113.62 110.92 1vr8 n SER 98 Ca 0.00 -0.10 -0.30 0.00 1.01 0.00 0.00 58.87 59.48 1vr8 n SER 98 Cb 0.00 -0.20 -0.14 0.00 -1.01 0.00 0.00 64.21 62.86 1vr8 n SER 98 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1vr8 s ILE 99 N -2.39 2.33 -0.03 0.44 1.10 -1.26 -5.13 121.20 116.25 1vr8 s ILE 99 Ca -0.25 -1.38 -0.22 0.00 -0.51 0.00 0.00 60.65 58.29 1vr8 s ILE 99 Cb 0.07 -1.94 0.04 0.00 0.15 0.00 0.00 42.46 40.78 1vr8 s ILE 99 CO 0.47 0.33 0.48 0.00 -2.11 0.00 0.00 174.94 174.11 1vr8 s ARG 100 N -1.39 0.85 -0.08 3.50 1.70 -1.26 -3.95 118.95 118.33 1vr8 s ARG 100 Ca 0.13 0.01 0.03 0.00 -0.47 0.00 0.00 55.73 55.43 1vr8 s ARG 100 Cb -0.10 0.39 0.01 0.00 -0.57 0.00 0.00 34.95 34.68 1vr8 s ARG 100 CO 0.03 -0.25 -0.17 0.45 -1.08 0.00 0.00 175.30 174.28 1vr8 s SER 101 N -1.28 2.33 -0.05 -2.89 0.15 -0.35 -5.00 113.70 106.60 1vr8 s SER 101 Ca -0.12 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1vr8 s SER 101 Cb -0.03 -1.07 0.02 0.00 -1.71 0.00 0.00 66.02 63.23 1vr8 s SER 101 CO 0.07 0.09 -0.03 -0.69 1.20 0.00 0.00 173.24 173.87 1vr8 s VAL 102 N 0.54 0.49 -0.25 4.45 1.01 -1.26 -1.22 120.40 124.16 1vr8 s VAL 102 Ca -0.16 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 1vr8 s VAL 102 Cb -0.17 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 1vr8 s VAL 102 CO 0.06 0.23 0.02 -0.22 0.00 0.00 0.00 175.10 175.20 1vr8 s LEU 103 N 1.21 3.28 -0.32 3.92 2.96 0.58 -5.01 118.68 125.30 1vr8 s LEU 103 Ca -0.06 -0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 53.47 1vr8 s LEU 103 Cb -0.14 -1.84 0.10 0.00 0.50 0.00 0.00 46.19 44.82 1vr8 s LEU 103 CO -0.02 -0.06 0.11 -0.62 -1.32 0.00 0.00 176.35 174.45 1vr8 s ASP 104 N 1.54 3.99 0.32 3.68 -1.08 -1.26 -1.21 116.67 122.64 1vr8 s ASP 104 Ca 0.05 -1.75 0.08 0.00 -0.52 0.00 0.00 52.55 50.42 1vr8 s ASP 104 Cb -0.15 -0.88 -0.04 0.00 -1.46 0.00 0.00 42.92 40.39 1vr8 s ASP 104 CO 0.01 -0.40 0.13 -0.76 0.52 0.00 0.00 175.17 174.66 1vr8 s LEU 105 N 1.48 3.30 0.30 -1.34 1.43 -1.26 -5.03 118.68 117.56 1vr8 s LEU 105 Ca 0.11 -0.70 0.03 0.00 -1.03 0.00 0.00 54.13 52.53 1vr8 s LEU 105 Cb -0.18 -1.80 0.60 0.00 0.03 0.00 0.00 46.19 44.85 1vr8 s LEU 105 CO -0.22 -0.24 1.84 -0.65 0.23 0.00 0.00 176.35 177.31 1vr8 h PRO 106 N 1.58 0.91 -0.28 1.29 0.11 -2.04 -3.42 132.00 130.17 1vr8 h PRO 106 Ca -0.44 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1vr8 h PRO 106 Cb 1.25 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 1vr8 h PRO 106 CO 0.62 0.60 -0.03 0.09 -0.21 0.00 0.00 178.00 179.08 1vr8 n ASN 107 N -4.61 3.18 -3.58 -2.05 3.02 -1.26 -5.11 115.26 104.84 1vr8 n ASN 107 Ca 0.19 -3.34 -0.06 0.00 -0.03 0.00 0.00 54.58 51.34 1vr8 n ASN 107 Cb 0.38 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 1vr8 n ASN 107 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1vr8 s GLY 109 N -2.26 -0.24 -0.11 7.41 0.00 -0.89 -4.18 107.32 107.04 1vr8 s GLY 109 Ca 0.42 1.85 -0.08 0.00 0.00 0.00 0.00 44.72 46.92 1vr8 s GLY 109 CO 0.05 0.74 0.28 1.25 0.00 0.00 0.00 173.10 175.42 1vr8 s LYS 110 N -1.92 0.28 0.12 2.90 2.20 -0.35 -1.14 119.74 121.83 1vr8 s LYS 110 Ca 0.06 0.50 0.06 0.00 -0.36 0.00 0.00 55.97 56.23 1vr8 s LYS 110 Cb -0.01 0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.29 1vr8 s LYS 110 CO -0.04 -0.11 -0.15 -0.59 -0.36 0.00 0.00 175.35 174.10 1vr8 s PHE 111 N 0.79 1.43 -0.01 4.03 -0.12 0.02 -0.31 117.98 123.80 1vr8 s PHE 111 Ca -0.05 -0.54 0.04 0.00 -0.05 0.00 0.00 56.93 56.33 1vr8 s PHE 111 Cb -0.06 -0.75 -0.01 0.00 -0.63 0.00 0.00 43.02 41.57 1vr8 s PHE 111 CO -0.05 0.15 -0.15 -1.12 -0.05 0.00 0.00 175.22 174.00 1vr8 s SER 112 N -2.39 1.72 0.38 1.98 0.01 -0.36 -1.15 113.70 113.88 1vr8 s SER 112 Ca 0.08 -0.27 -0.08 0.00 1.31 0.00 0.00 55.95 57.00 1vr8 s SER 112 Cb -0.05 -0.23 0.03 0.00 0.21 0.00 0.00 66.02 65.98 1vr8 s SER 112 CO 0.03 0.17 0.64 0.28 0.41 0.00 0.00 173.24 174.78 1vr8 s THR 113 N -0.29 0.00 -0.03 1.44 -1.32 0.18 -1.21 115.64 114.41 1vr8 s THR 113 Ca 0.05 -1.30 0.01 0.00 -1.21 0.00 0.00 61.69 59.23 1vr8 s THR 113 Cb -0.06 -2.85 0.01 0.00 -1.51 0.00 0.00 72.50 68.09 1vr8 s THR 113 CO -0.00 0.00 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.68 1vr8 s VAL 114 N -2.49 0.42 -0.13 5.08 1.01 -1.25 -1.03 120.40 122.01 1vr8 s VAL 114 Ca 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 1vr8 s VAL 114 Cb -0.03 -0.43 0.04 0.00 0.00 0.00 0.00 36.38 35.96 1vr8 s VAL 114 CO 0.17 0.17 0.02 -0.55 0.00 0.00 0.00 175.10 174.91 1vr8 s SER 115 N 0.58 2.26 -1.40 3.32 0.15 0.24 -4.40 113.70 114.46 1vr8 s SER 115 Ca -0.07 -0.46 -0.12 0.00 0.70 0.00 0.00 55.95 56.00 1vr8 s SER 115 Cb -0.10 -0.53 0.01 0.00 -1.71 0.00 0.00 66.02 63.70 1vr8 s SER 115 CO -0.00 -0.25 0.33 0.59 1.20 0.00 0.00 173.24 175.11 1vr8 n ASN 116 N 5.10 -1.22 0.00 5.45 3.02 -1.26 -1.15 115.26 125.20 1vr8 n ASN 116 Ca -0.08 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 1vr8 n ASN 116 Cb 0.49 -1.97 0.00 0.00 -0.61 0.00 0.00 39.78 37.69 1vr8 n ASN 116 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vr8 n GLY 117 N -2.28 2.11 3.66 7.41 0.00 -1.26 -5.02 105.19 109.81 1vr8 n GLY 117 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1vr8 n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vr8 s LYS 118 N -0.55 4.05 0.30 1.61 3.01 -0.30 -4.54 119.74 123.32 1vr8 s LYS 118 Ca 0.00 -0.29 -0.28 0.00 -1.01 0.00 0.00 55.97 54.39 1vr8 s LYS 118 Cb 0.00 -3.37 -0.09 0.00 -1.01 0.00 0.00 37.83 33.35 1vr8 s LYS 118 CO 0.00 0.20 1.04 0.21 0.51 0.00 0.00 175.35 177.31 1vr8 s LYS 119 N 0.62 4.59 -0.06 1.68 2.47 -0.28 -0.59 119.74 128.16 1vr8 s LYS 119 Ca 0.06 1.64 0.01 0.00 -1.56 0.00 0.00 55.97 56.12 1vr8 s LYS 119 Cb -0.12 -3.05 0.02 0.00 -1.46 0.00 0.00 37.83 33.22 1vr8 s LYS 119 CO 0.01 0.22 -0.05 0.42 0.16 0.00 0.00 175.35 176.11 1vr8 s ILE 120 N -1.30 0.63 -0.10 5.43 1.01 -0.19 -1.82 121.20 124.87 1vr8 s ILE 120 Ca 0.47 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 61.00 1vr8 s ILE 120 Cb -0.28 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.54 1vr8 s ILE 120 CO 0.35 0.26 -0.14 -0.69 0.00 0.00 0.00 174.94 174.73 1vr8 s VAL 121 N 1.17 1.37 -0.03 2.92 1.01 -0.09 -0.65 120.40 126.09 1vr8 s VAL 121 Ca -0.07 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1vr8 s VAL 121 Cb -0.14 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.00 1vr8 s VAL 121 CO -0.01 0.41 -0.06 0.00 0.00 0.00 0.00 175.10 175.44 1vr8 s ALA 122 N 0.94 0.72 0.03 5.51 0.00 -0.30 -0.28 121.76 128.37 1vr8 s ALA 122 Ca -0.08 -0.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 1vr8 s ALA 122 Cb -0.15 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 1vr8 s ALA 122 CO -0.00 0.05 0.10 1.67 0.00 0.00 0.00 175.76 177.58 1vr8 s TRP 123 N 0.58 0.17 0.05 0.00 -2.14 -0.20 -0.80 118.94 116.60 1vr8 s TRP 123 Ca -0.08 -0.44 0.03 0.00 2.66 0.00 0.00 56.10 58.27 1vr8 s TRP 123 Cb -0.12 -0.13 -0.03 0.00 -3.10 0.00 0.00 33.47 30.10 1vr8 s TRP 123 CO 0.00 -0.35 -0.08 1.67 -2.66 0.00 0.00 176.95 175.53 1vr8 s TRP 124 N -2.35 0.74 -0.18 1.66 1.48 -0.29 -0.75 118.94 119.24 1vr8 s TRP 124 Ca -0.07 -0.52 -0.28 0.00 -1.06 0.00 0.00 56.10 54.17 1vr8 s TRP 124 Cb -0.03 -0.44 0.11 0.00 -1.16 0.00 0.00 33.47 31.95 1vr8 s TRP 124 CO -0.03 -0.07 0.91 0.50 -4.06 0.00 0.00 176.95 174.20 1vr8 s ARG 125 N -1.72 0.69 3.58 3.25 3.52 -0.75 -2.10 118.95 125.41 1vr8 s ARG 125 Ca -0.08 0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.91 1vr8 s ARG 125 Cb -0.09 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.63 1vr8 s ARG 125 CO 0.00 -0.17 0.00 1.63 -0.81 0.00 0.00 175.30 175.95 1vr8 n LYS 126 N 1.40 0.00 -0.93 5.12 4.76 -1.26 -1.48 118.16 125.77 1vr8 n LYS 126 Ca -0.13 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.24 1vr8 n LYS 126 Cb 0.57 0.00 0.24 0.00 -1.84 0.00 0.00 35.03 34.00 1vr8 n LYS 126 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1vr8 n ASN 127 N 4.72 3.84 -4.14 4.39 6.94 -1.26 -4.73 115.26 125.02 1vr8 n ASN 127 Ca 0.00 -3.43 -0.22 0.00 -0.02 0.00 0.00 54.58 50.92 1vr8 n ASN 127 Cb 0.00 -0.71 -0.14 0.00 -2.36 0.00 0.00 39.78 36.57 1vr8 n ASN 127 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1vr8 s TRP 128 N -3.11 1.30 -0.04 -2.53 0.52 -0.55 -0.33 118.94 114.20 1vr8 s TRP 128 Ca 0.51 -0.30 0.01 0.00 0.02 0.00 0.00 56.10 56.34 1vr8 s TRP 128 Cb 0.43 -0.80 0.02 0.00 -1.15 0.00 0.00 33.47 31.97 1vr8 s TRP 128 CO 0.09 0.01 -0.03 -1.17 0.02 0.00 0.00 176.95 175.87 1vr8 s LEU 129 N -0.74 1.29 0.04 2.99 2.96 -0.41 -1.81 118.68 123.01 1vr8 s LEU 129 Ca 0.04 -0.09 0.08 0.00 -0.22 0.00 0.00 54.13 53.94 1vr8 s LEU 129 Cb -0.07 -0.37 -0.03 0.00 0.50 0.00 0.00 46.19 46.23 1vr8 s LEU 129 CO 0.00 -0.07 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.38 1vr8 s PHE 130 N 0.93 2.00 -0.06 5.38 0.08 0.07 -1.22 117.98 125.16 1vr8 s PHE 130 Ca -0.11 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.57 1vr8 s PHE 130 Cb -0.14 -1.19 0.02 0.00 -0.57 0.00 0.00 43.02 41.13 1vr8 s PHE 130 CO -0.00 0.10 -0.10 0.42 -0.10 0.00 0.00 175.22 175.54 1vr8 s ILE 131 N -0.80 0.96 -0.12 0.64 1.01 -0.20 -1.03 121.20 121.66 1vr8 s ILE 131 Ca 0.09 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1vr8 s ILE 131 Cb -0.09 -0.90 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 1vr8 s ILE 131 CO 0.02 0.32 -0.16 -0.69 0.00 0.00 0.00 174.94 174.43 1vr8 s VAL 132 N 0.74 2.80 0.02 2.92 1.01 0.62 -0.16 120.40 128.36 1vr8 s VAL 132 Ca -0.14 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1vr8 s VAL 132 Cb -0.15 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1vr8 s VAL 132 CO 0.03 0.53 -0.04 -1.83 0.00 0.00 0.00 175.10 173.79 1vr8 s GLU 133 N 0.36 0.35 0.00 2.72 -1.05 -0.20 -0.91 118.70 119.97 1vr8 s GLU 133 Ca -0.13 -0.61 0.00 0.00 -0.15 0.00 0.00 54.97 54.08 1vr8 s GLU 133 Cb -0.16 -0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.52 1vr8 s GLU 133 CO 0.06 -0.02 0.00 0.41 0.95 0.00 0.00 175.26 176.66 1vr8 n GLY 134 N 1.66 1.39 0.21 -3.83 0.00 -0.76 -0.46 105.19 103.41 1vr8 n GLY 134 Ca -0.23 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 1vr8 n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vr8 h LYS 135 N 0.00 0.53 -3.00 1.61 1.79 -1.80 -0.73 116.57 114.96 1vr8 h LYS 135 Ca 0.00 -0.30 -0.13 0.00 -2.18 0.00 0.00 60.65 58.04 1vr8 h LYS 135 Cb 0.00 0.02 -0.22 0.00 -1.58 0.00 0.00 32.23 30.46 1vr8 h LYS 135 CO 0.00 0.90 -0.30 -0.80 -1.08 0.00 0.00 179.45 178.17 1vr8 s ASN 136 N -6.89 -0.25 0.00 0.86 0.01 -1.26 -4.66 114.94 102.76 1vr8 s ASN 136 Ca -0.07 0.30 0.00 0.00 -0.71 0.00 0.00 52.86 52.38 1vr8 s ASN 136 Cb 0.12 0.45 0.00 0.00 0.41 0.00 0.00 41.25 42.23 1vr8 s ASN 136 CO 0.83 -0.32 0.00 0.61 -1.51 0.00 0.00 177.10 176.71 1vr8 n GLY 137 N 1.89 0.62 0.10 0.66 0.00 -1.26 -4.56 105.19 102.63 1vr8 n GLY 137 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1vr8 n GLY 137 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vr8 h VAL 138 N 0.00 1.18 -0.92 1.61 2.07 -1.91 -1.46 116.25 116.83 1vr8 h VAL 138 Ca 0.00 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1vr8 h VAL 138 Cb 0.00 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1vr8 h VAL 138 CO 0.00 0.17 0.52 -0.33 0.02 0.00 0.00 177.57 177.95 1vr8 h GLU 139 N 0.04 1.27 -0.47 1.57 3.07 -1.98 0.36 114.58 118.45 1vr8 h GLU 139 Ca 0.05 -0.14 -0.03 0.00 -0.50 0.00 0.00 59.36 58.73 1vr8 h GLU 139 Cb 0.23 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 1vr8 h GLU 139 CO -0.00 0.92 0.16 0.93 -1.40 0.00 0.00 179.01 179.62 1vr8 h GLU 140 N 1.28 0.72 -0.47 2.33 3.07 -1.96 -1.17 114.58 118.37 1vr8 h GLU 140 Ca 0.32 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.36 58.98 1vr8 h GLU 140 Cb 0.01 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 1vr8 h GLU 140 CO -0.05 0.67 0.09 0.35 -1.40 0.00 0.00 179.01 178.67 1vr8 h PHE 141 N 0.62 0.83 -0.61 4.33 3.57 -0.85 -1.86 116.94 122.96 1vr8 h PHE 141 Ca 0.15 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1vr8 h PHE 141 Cb 0.25 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 1vr8 h PHE 141 CO 0.01 0.76 0.39 0.28 -2.23 0.00 0.00 178.31 177.52 1vr8 h VAL 142 N 0.65 1.10 -0.89 1.41 2.07 -0.70 -0.16 116.25 119.72 1vr8 h VAL 142 Ca 0.15 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1vr8 h VAL 142 Cb 0.38 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1vr8 h VAL 142 CO 0.01 0.14 0.53 0.50 0.02 0.00 0.00 177.57 178.76 1vr8 h LYS 143 N 0.77 1.22 -0.03 1.57 1.63 -1.07 0.11 116.57 120.76 1vr8 h LYS 143 Ca 0.24 -0.12 0.02 0.00 -0.85 0.00 0.00 60.65 59.95 1vr8 h LYS 143 Cb -0.01 -0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 31.34 1vr8 h LYS 143 CO -0.09 0.86 -0.10 1.25 -3.45 0.00 0.00 179.45 177.92 1vr8 h HIS 144 N 1.23 -0.26 -0.35 1.91 2.76 -0.61 -0.90 115.15 118.93 1vr8 h HIS 144 Ca 0.32 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.53 1vr8 h HIS 144 Cb -0.03 0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 1vr8 h HIS 144 CO 0.00 -0.16 0.14 0.28 -1.30 0.00 0.00 177.93 176.89 1vr8 h VAL 145 N -0.17 0.93 -0.36 5.26 2.07 -0.29 -0.71 116.25 122.98 1vr8 h VAL 145 Ca 0.05 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.54 1vr8 h VAL 145 Cb 0.23 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 1vr8 h VAL 145 CO -0.13 0.05 -0.12 1.88 0.02 0.00 0.00 177.57 179.27 1vr8 h TYR 146 N 0.29 -0.28 -0.83 1.57 -1.99 -0.65 -1.50 116.97 113.59 1vr8 h TYR 146 Ca 0.15 0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.88 1vr8 h TYR 146 Cb 0.11 0.18 -0.04 0.00 2.00 0.00 0.00 36.73 38.98 1vr8 h TYR 146 CO -0.13 -0.20 0.38 0.00 -0.00 0.00 0.00 178.16 178.21 1vr8 h ARG 147 N -0.05 1.21 -0.11 4.88 3.08 -0.67 0.86 114.38 123.58 1vr8 h ARG 147 Ca 0.18 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1vr8 h ARG 147 Cb 0.32 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1vr8 h ARG 147 CO -0.40 0.94 -0.06 0.28 -1.07 0.00 0.00 179.97 179.67 1vr8 h VAL 148 N 1.19 1.32 -0.23 2.04 2.07 -0.86 -3.13 116.25 118.64 1vr8 h VAL 148 Ca 0.28 -1.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.60 1vr8 h VAL 148 Cb 0.15 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1vr8 h VAL 148 CO -0.03 0.31 -0.35 1.88 0.02 0.00 0.00 177.57 179.39 1vr8 h TYR 149 N -0.12 0.59 -0.13 1.57 0.05 -1.22 -2.96 116.97 114.74 1vr8 h TYR 149 Ca 0.02 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.65 1vr8 h TYR 149 Cb 0.51 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 1vr8 h TYR 149 CO 0.07 0.80 0.09 1.49 -1.05 0.00 0.00 178.16 179.55 1vr8 h GLU 150 N 0.43 0.17 -2.84 4.88 4.57 -0.70 -3.41 114.58 117.68 1vr8 h GLU 150 Ca 0.05 -0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 58.04 1vr8 h GLU 150 Cb 0.82 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 1vr8 h GLU 150 CO 0.07 0.11 0.86 0.39 -1.18 0.00 0.00 179.01 179.26 1vr8 n GLU 151 N -4.52 1.29 -4.17 1.92 4.71 -1.12 -4.49 120.64 114.26 1vr8 n GLU 151 Ca -0.01 -0.79 -0.24 0.00 -0.01 0.00 0.00 57.16 56.12 1vr8 n GLU 151 Cb 0.08 -1.97 -0.17 0.00 -1.01 0.00 0.00 31.44 28.37 1vr8 n GLU 151 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1vr8 s LYS 153 N 2.54 1.28 0.00 3.49 2.20 -1.26 -5.10 119.74 122.89 1vr8 s LYS 153 Ca 0.34 -0.22 0.20 0.00 -0.36 0.00 0.00 55.97 55.93 1vr8 s LYS 153 Cb 0.14 -1.26 1.19 0.00 -1.51 0.00 0.00 37.83 36.39 1vr8 s LYS 153 CO -0.01 -0.13 1.57 1.04 -0.36 0.00 0.00 175.35 177.46