#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hwt s ILE 60 N 0.00 1.84 0.20 0.55 1.01 -1.26 -4.78 121.20 118.76 1hwt s ILE 60 Ca 0.00 -0.81 -0.33 0.00 0.00 0.00 0.00 60.65 59.51 1hwt s ILE 60 Cb 0.00 -1.67 -0.14 0.00 0.01 0.00 0.00 42.46 40.66 1hwt s ILE 60 CO 0.00 0.50 1.47 -2.65 0.00 0.00 0.00 174.94 174.27 1hwt n PRO 61 N 4.49 2.03 0.11 2.79 -0.02 -1.26 -4.92 135.00 138.22 1hwt n PRO 61 Ca -0.19 0.73 0.12 0.00 -2.02 0.00 0.00 63.50 62.14 1hwt n PRO 61 Cb 0.50 -2.43 0.22 0.00 -0.02 0.00 0.00 33.50 31.78 1hwt n PRO 61 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1hwt h LEU 62 N 4.92 0.00 -9.71 2.45 3.38 -1.99 -3.40 115.31 110.96 1hwt h LEU 62 Ca -0.45 -0.08 -0.58 0.00 0.09 0.00 0.00 57.88 56.86 1hwt h LEU 62 Cb 1.27 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 1hwt h LEU 62 CO 0.81 0.04 -0.09 -0.44 0.09 0.00 0.00 178.44 178.85 1hwt s SER 63 N -4.85 6.97 0.54 -0.43 0.01 -1.26 -4.78 113.70 109.90 1hwt s SER 63 Ca 0.07 1.16 -0.21 0.00 1.31 0.00 0.00 55.95 58.27 1hwt s SER 63 Cb 0.11 -2.32 -0.06 0.00 0.21 0.00 0.00 66.02 63.96 1hwt s SER 63 CO 0.68 0.27 1.14 0.00 0.41 0.00 0.00 173.24 175.74 1hwt h THR 65 N 1.07 0.68 -0.22 0.00 1.35 -1.86 -2.03 112.91 111.90 1hwt h THR 65 Ca -0.49 -0.19 -0.04 0.00 -0.55 0.00 0.00 66.41 65.15 1hwt h THR 65 Cb 1.33 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 1hwt h THR 65 CO 0.54 0.10 -0.02 0.40 -0.25 0.00 0.00 175.52 176.29 1hwt h ILE 66 N 0.54 1.27 -0.22 6.82 1.08 -1.86 -1.41 117.51 123.73 1hwt h ILE 66 Ca 0.52 -0.96 -0.04 0.00 -0.39 0.00 0.00 64.86 63.99 1hwt h ILE 66 Cb 1.11 1.46 -0.01 0.00 -3.07 0.00 0.00 36.82 36.31 1hwt h ILE 66 CO -0.26 0.29 -0.04 0.00 -0.69 0.00 0.00 178.15 177.45 1hwt h ARG 68 N 0.32 -0.73 -0.36 0.00 9.65 -1.13 0.25 114.38 122.38 1hwt h ARG 68 Ca 0.07 0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.95 1hwt h ARG 68 Cb 0.29 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.01 1hwt h ARG 68 CO 0.01 -0.47 0.02 0.87 2.80 0.00 0.00 179.97 183.21 1hwt h LYS 69 N -0.79 0.55 0.00 0.20 1.57 -0.73 -1.89 116.57 115.48 1hwt h LYS 69 Ca -0.08 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1hwt h LYS 69 Cb 0.59 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1hwt h LYS 69 CO 0.13 0.55 -0.14 0.00 -0.57 0.00 0.00 179.45 179.43 1hwt h ARG 70 N 0.53 0.00 -3.19 3.15 3.08 -0.40 -3.47 114.38 114.08 1hwt h ARG 70 Ca 0.12 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.95 1hwt h ARG 70 Cb 0.30 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.41 1hwt h ARG 70 CO 0.01 0.14 -0.35 1.63 -1.07 0.00 0.00 179.97 180.32 1hwt n LYS 71 N -3.18 -3.59 -4.52 0.04 5.02 0.83 -5.04 118.16 107.72 1hwt n LYS 71 Ca 0.02 0.47 -0.26 0.00 -2.02 0.00 0.00 58.31 56.52 1hwt n LYS 71 Cb 0.49 -4.42 -0.10 0.00 -0.02 0.00 0.00 35.03 30.99 1hwt n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1hwt s VAL 72 N -3.04 2.23 0.01 -0.18 -7.23 -0.81 -5.05 120.40 106.33 1hwt s VAL 72 Ca 0.25 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.02 1hwt s VAL 72 Cb -0.11 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1hwt s VAL 72 CO 0.31 -0.14 1.17 -0.75 -0.31 0.00 0.00 175.10 175.38 1hwt s LYS 73 N -3.66 4.42 -0.15 4.82 2.47 -1.26 -4.63 119.74 121.74 1hwt s LYS 73 Ca 0.34 1.68 -0.14 0.00 -1.56 0.00 0.00 55.97 56.29 1hwt s LYS 73 Cb 0.04 -3.44 -0.05 0.00 -1.46 0.00 0.00 37.83 32.93 1hwt s LYS 73 CO 0.18 -0.29 0.31 0.00 0.16 0.00 0.00 175.35 175.70 1hwt n ASP 75 N 3.50 0.21 -2.18 0.00 5.75 -1.26 -4.90 116.55 117.67 1hwt n ASP 75 Ca -0.12 -1.28 -0.10 0.00 -0.01 0.00 0.00 54.79 53.29 1hwt n ASP 75 Cb 0.52 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.59 1hwt n ASP 75 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1hwt n LYS 76 N -0.74 -2.12 -2.96 0.11 5.02 -1.26 -4.93 118.16 111.28 1hwt n LYS 76 Ca 0.18 0.49 -0.36 0.00 -2.02 0.00 0.00 58.31 56.60 1hwt n LYS 76 Cb 0.12 -4.97 -0.06 0.00 -0.02 0.00 0.00 35.03 30.10 1hwt n LYS 76 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1hwt s LEU 77 N -4.96 4.34 0.23 -0.35 1.43 -1.26 -4.96 118.68 113.14 1hwt s LEU 77 Ca 0.00 1.60 0.07 0.00 -1.03 0.00 0.00 54.13 54.77 1hwt s LEU 77 Cb 0.00 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 1hwt s LEU 77 CO 0.00 -0.01 0.16 -0.13 0.23 0.00 0.00 176.35 176.60 1hwt s ARG 78 N -2.02 2.85 0.33 1.70 1.81 -1.26 -1.90 118.95 120.46 1hwt s ARG 78 Ca 0.46 -1.04 0.15 0.00 -1.72 0.00 0.00 55.73 53.58 1hwt s ARG 78 Cb -0.17 -2.54 0.55 0.00 -0.45 0.00 0.00 34.95 32.34 1hwt s ARG 78 CO 0.22 0.42 1.69 -1.00 -0.68 0.00 0.00 175.30 175.95 1hwt h PRO 79 N 1.77 0.00 -5.25 3.54 0.13 -1.99 -3.47 132.00 126.73 1hwt h PRO 79 Ca -0.48 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.18 1hwt h PRO 79 Cb 1.23 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.08 1hwt h PRO 79 CO 0.61 0.47 -0.81 -1.01 -0.23 0.00 0.00 178.00 177.04 1hwt s HIS 80 N -3.65 1.22 0.70 1.56 3.76 -1.22 -4.81 115.29 112.85 1hwt s HIS 80 Ca -0.01 -0.26 -0.12 0.00 -0.15 0.00 0.00 55.06 54.52 1hwt s HIS 80 Cb 0.12 -0.77 0.02 0.00 1.11 0.00 0.00 32.58 33.06 1hwt s HIS 80 CO 0.72 -0.01 1.09 0.00 -0.85 0.00 0.00 174.74 175.69 1hwt h GLN 82 N -0.52 0.00 -0.10 0.00 1.08 -1.94 -1.73 115.11 111.89 1hwt h GLN 82 Ca -0.45 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.73 1hwt h GLN 82 Cb 1.23 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.66 1hwt h GLN 82 CO 0.54 0.07 -0.01 1.96 -0.95 0.00 0.00 178.83 180.44 1hwt h GLN 83 N 0.00 0.18 -0.34 1.46 7.50 -1.92 0.25 115.11 122.25 1hwt h GLN 83 Ca -0.00 -0.06 -0.07 0.00 0.50 0.00 0.00 58.65 59.02 1hwt h GLN 83 Cb 0.47 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.98 1hwt h GLN 83 CO 0.01 0.46 -0.06 0.00 -1.50 0.00 0.00 178.83 177.74 1hwt h THR 85 N 0.42 0.35 0.00 0.00 2.02 -1.17 0.96 112.91 115.49 1hwt h THR 85 Ca 0.09 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1hwt h THR 85 Cb 0.55 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1hwt h THR 85 CO 0.03 0.00 -0.07 0.11 0.37 0.00 0.00 175.52 175.96 1hwt h LYS 86 N -0.46 0.00 -0.02 6.66 6.56 -0.45 -1.15 116.57 127.72 1hwt h LYS 86 Ca 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 1hwt h LYS 86 Cb 0.53 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.19 1hwt h LYS 86 CO -0.23 0.07 -0.05 0.25 -2.06 0.00 0.00 179.45 177.42 1hwt n THR 87 N -4.09 0.00 -0.94 -0.16 -2.24 -0.86 -4.93 114.28 101.06 1hwt n THR 87 Ca -0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1hwt n THR 87 Cb 0.15 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1hwt n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hwt n GLY 88 N 1.22 0.45 0.87 3.38 0.00 -0.43 -4.95 105.19 105.73 1hwt n GLY 88 Ca 0.17 -0.72 0.02 0.00 0.00 0.00 0.00 46.02 45.50 1hwt n GLY 88 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1hwt n VAL 89 N -2.94 2.35 -0.20 1.61 0.24 0.21 -4.74 118.33 114.87 1hwt n VAL 89 Ca 0.00 -2.51 0.23 0.00 -2.04 0.00 0.00 64.34 60.02 1hwt n VAL 89 Cb 0.00 -0.28 0.61 0.00 -1.47 0.00 0.00 33.84 32.69 1hwt n VAL 89 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hwt h ALA 90 N 1.07 2.47 0.00 2.33 0.00 -1.82 0.49 119.26 123.80 1hwt h ALA 90 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1hwt h ALA 90 Cb 1.43 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1hwt h ALA 90 CO 0.25 -0.74 0.00 -2.39 0.00 0.00 0.00 179.25 176.37 1hwt n HIS 91 N -4.41 0.00 0.29 0.00 1.44 -1.26 -1.61 115.22 109.67 1hwt n HIS 91 Ca 0.18 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.95 1hwt n HIS 91 Cb 0.79 -0.47 0.07 0.00 0.12 0.00 0.00 29.99 30.50 1hwt n HIS 91 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1hwt n LEU 92 N -1.47 2.12 -4.62 2.39 4.77 0.17 -4.96 117.00 115.40 1hwt n LEU 92 Ca 0.04 -1.24 -0.41 0.00 -0.03 0.00 0.00 56.01 54.36 1hwt n LEU 92 Cb 0.15 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1hwt n LEU 92 CO 0.12 0.45 0.52 0.00 -1.33 0.00 0.00 177.39 177.15 1hwt s HIS 94 N 2.75 -0.09 0.07 0.00 -3.43 -1.26 -4.78 115.29 108.55 1hwt s HIS 94 Ca 0.30 0.00 0.05 0.00 -0.80 0.00 0.00 55.06 54.61 1hwt s HIS 94 Cb -0.15 0.06 -0.04 0.00 -1.43 0.00 0.00 32.58 31.03 1hwt s HIS 94 CO 0.10 -0.45 -0.03 0.71 -2.00 0.00 0.00 174.74 173.07 1hwt s TYR 95 N -2.15 2.94 0.39 0.38 1.51 -1.26 -2.51 117.35 116.64 1hwt s TYR 95 Ca -0.08 -0.04 -0.25 0.00 -1.01 0.00 0.00 57.07 55.69 1hwt s TYR 95 Cb -0.02 -1.54 -0.09 0.00 -0.11 0.00 0.00 41.96 40.20 1hwt s TYR 95 CO -0.01 0.45 1.13 -1.64 -1.11 0.00 0.00 175.55 174.38 1hwt s MET 96 N -2.07 4.14 0.00 -0.62 -1.94 -1.26 -4.94 119.30 112.61 1hwt s MET 96 Ca 0.23 1.76 0.05 0.00 -1.71 0.00 0.00 55.69 56.02 1hwt s MET 96 Cb -0.11 -2.70 -0.04 0.00 2.01 0.00 0.00 34.83 33.99 1hwt s MET 96 CO 0.15 -0.22 0.26 0.39 -0.01 0.00 0.00 175.02 175.59 1hwt n GLU 97 N 0.16 4.69 -4.15 2.03 1.02 -1.26 -4.95 120.64 118.19 1hwt n GLU 97 Ca 0.04 -0.12 -0.15 0.00 -0.02 0.00 0.00 57.16 56.91 1hwt n GLU 97 Cb 0.47 -0.77 -0.06 0.00 -0.02 0.00 0.00 31.44 31.06 1hwt n GLU 97 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1hwt s GLN 98 N -1.28 1.77 0.87 3.49 -0.21 -1.26 -5.12 119.66 117.93 1hwt s GLN 98 Ca 0.02 -1.78 -0.11 0.00 0.02 0.00 0.00 55.36 53.51 1hwt s GLN 98 Cb 0.03 0.39 0.12 0.00 1.00 0.00 0.00 33.01 34.56 1hwt s GLN 98 CO 0.17 -0.70 1.10 0.95 -2.12 0.00 0.00 175.29 174.68 1hwt s THR 99 N -3.35 2.74 0.28 -0.19 -4.23 -1.26 -4.78 115.64 104.86 1hwt s THR 99 Ca 0.34 0.24 -0.02 0.00 -1.18 0.00 0.00 61.69 61.07 1hwt s THR 99 Cb 0.01 -2.61 0.19 0.00 1.34 0.00 0.00 72.50 71.43 1hwt s THR 99 CO 0.21 -0.32 1.87 -0.25 -0.54 0.00 0.00 174.62 175.59 1hwt h TRP 100 N -1.54 0.93 -0.19 3.99 7.01 -1.99 -1.11 115.95 123.04 1hwt h TRP 100 Ca -0.47 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 60.47 1hwt h TRP 100 Cb 1.27 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 28.03 1hwt h TRP 100 CO 0.48 0.71 0.06 0.00 -2.79 0.00 0.00 178.44 176.90 1hwt h ALA 101 N 1.38 0.25 -0.95 2.65 0.00 -1.99 -0.42 119.26 120.17 1hwt h ALA 101 Ca 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1hwt h ALA 101 Cb 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1hwt h ALA 101 CO -0.02 -0.13 0.58 0.93 0.00 0.00 0.00 179.25 180.61 1hwt h GLU 102 N 0.14 1.29 0.07 0.00 5.08 -1.82 -1.76 114.58 117.57 1hwt h GLU 102 Ca 0.06 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1hwt h GLU 102 Cb 0.22 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1hwt h GLU 102 CO -0.00 0.89 -0.03 1.49 -1.00 0.00 0.00 179.01 180.36 1hwt h GLU 103 N 1.31 -0.09 -0.79 2.33 4.81 -1.03 -2.11 114.58 119.02 1hwt h GLU 103 Ca 0.34 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.71 1hwt h GLU 103 Cb -0.07 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.24 1hwt h GLU 103 CO -0.07 0.32 0.38 0.00 -0.73 0.00 0.00 179.01 178.91 1hwt h ALA 104 N 0.37 1.15 -0.32 2.92 0.00 -0.92 0.11 119.26 122.56 1hwt h ALA 104 Ca -0.01 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1hwt h ALA 104 Cb 0.45 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1hwt h ALA 104 CO 0.02 -0.12 -0.11 1.49 0.00 0.00 0.00 179.25 180.52 1hwt h GLU 105 N 0.56 0.55 -0.35 0.00 4.57 -1.28 -1.90 114.58 116.74 1hwt h GLU 105 Ca 0.42 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 58.38 1hwt h GLU 105 Cb 0.58 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1hwt h GLU 105 CO -0.36 0.66 -0.02 -0.22 -1.18 0.00 0.00 179.01 177.90 1hwt h LYS 106 N 0.51 0.63 0.00 1.92 3.64 -0.13 -2.51 116.57 120.63 1hwt h LYS 106 Ca 0.09 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1hwt h LYS 106 Cb 0.50 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1hwt h LYS 106 CO 0.03 0.76 0.00 0.93 -2.27 0.00 0.00 179.45 178.90 1hwt h GLU 107 N 0.44 0.00 -0.07 1.90 4.39 -1.02 -1.99 114.58 118.22 1hwt h GLU 107 Ca 0.10 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.55 1hwt h GLU 107 Cb 0.49 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1hwt h GLU 107 CO 0.02 0.00 -0.92 -0.07 -1.16 0.00 0.00 179.01 176.89 1hwt h LEU 108 N 0.00 0.89 -0.76 1.33 3.38 -0.99 -1.90 115.31 117.27 1hwt h LEU 108 Ca 0.00 -0.65 -0.13 0.00 0.09 0.00 0.00 57.88 57.19 1hwt h LEU 108 Cb 0.52 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1hwt h LEU 108 CO 0.00 1.45 -0.47 -0.07 0.09 0.00 0.00 178.44 179.45 1hwt h LEU 109 N 0.45 0.39 -0.31 1.67 3.38 -1.12 -2.68 115.31 117.09 1hwt h LEU 109 Ca -0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1hwt h LEU 109 Cb 1.55 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1hwt h LEU 109 CO 0.18 0.80 0.09 0.11 0.09 0.00 0.00 178.44 179.71 1hwt h LYS 110 N 0.29 0.48 -0.52 1.13 6.56 -1.32 -0.06 116.57 123.14 1hwt h LYS 110 Ca 0.02 -0.11 0.10 0.00 -1.06 0.00 0.00 60.65 59.60 1hwt h LYS 110 Cb 0.93 -0.07 -0.08 0.00 -0.57 0.00 0.00 32.23 32.44 1hwt h LYS 110 CO 0.08 0.54 0.01 -0.44 -2.06 0.00 0.00 179.45 177.58 1hwt h ASP 111 N 0.34 -0.21 -0.44 0.86 5.19 -1.10 0.12 116.42 121.18 1hwt h ASP 111 Ca 0.10 0.12 -0.14 0.00 -0.62 0.00 0.00 57.03 56.49 1hwt h ASP 111 Cb 0.26 0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 1hwt h ASP 111 CO -0.00 -0.07 -0.29 -1.13 -3.12 0.00 0.00 179.24 174.63 1hwt h ASN 112 N 0.12 1.01 -0.19 6.45 -1.24 -1.26 -1.95 115.58 118.52 1hwt h ASN 112 Ca 0.26 -0.43 -0.09 0.00 0.71 0.00 0.00 56.30 56.76 1hwt h ASN 112 Cb 0.40 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 1hwt h ASN 112 CO -0.43 1.22 -0.15 -0.33 -1.29 0.00 0.00 177.43 176.45 1hwt h GLU 113 N 0.81 0.60 0.02 6.67 3.07 -0.48 -1.23 114.58 124.03 1hwt h GLU 113 Ca 0.09 -0.20 -0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1hwt h GLU 113 Cb 0.87 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1hwt h GLU 113 CO 0.08 0.73 -0.01 1.25 -1.40 0.00 0.00 179.01 179.66 1hwt h LEU 114 N 0.54 -0.02 -0.35 1.33 6.46 -0.62 -0.65 115.31 122.00 1hwt h LEU 114 Ca 0.09 -0.15 0.05 0.00 -0.12 0.00 0.00 57.88 57.76 1hwt h LEU 114 Cb 0.58 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.47 1hwt h LEU 114 CO 0.04 0.14 0.06 0.50 -0.62 0.00 0.00 178.44 178.55 1hwt h LYS 115 N -0.18 0.17 -0.15 1.25 3.64 -1.12 -0.90 116.57 119.30 1hwt h LYS 115 Ca -0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1hwt h LYS 115 Cb 0.17 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1hwt h LYS 115 CO 0.00 0.11 0.00 0.87 -2.27 0.00 0.00 179.45 178.17 1hwt h LYS 116 N 0.17 0.21 0.03 1.90 1.57 -1.02 -2.08 116.57 117.36 1hwt h LYS 116 Ca 0.17 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1hwt h LYS 116 Cb 0.19 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1hwt h LYS 116 CO -0.23 0.23 -0.02 -0.07 -0.57 0.00 0.00 179.45 178.79 1hwt h LEU 117 N 0.21 -0.04 -1.76 2.94 3.38 -0.08 -0.91 115.31 119.05 1hwt h LEU 117 Ca 0.05 -0.47 0.08 0.00 0.09 0.00 0.00 57.88 57.64 1hwt h LEU 117 Cb 0.14 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1hwt h LEU 117 CO 0.00 0.46 0.32 -0.09 0.09 0.00 0.00 178.44 179.22 1hwt h ARG 118 N -0.55 0.27 -0.09 1.13 2.43 -0.99 0.21 114.38 116.79 1hwt h ARG 118 Ca -0.00 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 58.95 1hwt h ARG 118 Cb 0.50 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1hwt h ARG 118 CO 0.01 0.18 -0.75 0.93 -1.51 0.00 0.00 179.97 178.83 1hwt h GLU 119 N 0.28 0.50 -0.10 0.20 5.08 -1.26 -2.75 114.58 116.52 1hwt h GLU 119 Ca 0.22 -0.41 -0.17 0.00 -1.00 0.00 0.00 59.36 57.99 1hwt h GLU 119 Cb 0.49 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1hwt h GLU 119 CO -0.05 1.04 -0.66 -0.09 -1.00 0.00 0.00 179.01 178.26 1hwt h ARG 120 N 0.34 0.42 -0.46 2.33 9.65 0.62 -1.94 114.38 125.34 1hwt h ARG 120 Ca -0.04 -0.31 -0.13 0.00 -1.10 0.00 0.00 59.98 58.40 1hwt h ARG 120 Cb 1.34 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.96 1hwt h ARG 120 CO 0.13 0.93 -0.22 0.28 2.80 0.00 0.00 179.97 183.89 1hwt h VAL 121 N 0.30 1.27 -0.29 0.20 2.07 -0.71 0.60 116.25 119.69 1hwt h VAL 121 Ca -0.02 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 1hwt h VAL 121 Cb 1.21 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1hwt h VAL 121 CO 0.11 0.47 0.07 0.11 0.02 0.00 0.00 177.57 178.35 1hwt h LYS 122 N 0.81 0.47 -0.35 1.57 1.79 -1.41 0.64 116.57 120.09 1hwt h LYS 122 Ca 0.11 -0.11 -0.10 0.00 -2.18 0.00 0.00 60.65 58.36 1hwt h LYS 122 Cb 0.79 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 1hwt h LYS 122 CO 0.07 0.55 -0.19 1.03 -1.08 0.00 0.00 179.45 179.83 1hwt h SER 123 N 0.30 0.65 1.05 0.86 0.87 -1.18 0.43 113.55 116.53 1hwt h SER 123 Ca 0.09 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.36 1hwt h SER 123 Cb 0.30 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1hwt h SER 123 CO 0.00 0.84 -0.40 -0.07 -0.53 0.00 0.00 176.83 176.67 1hwt h LEU 124 N 0.58 0.00 0.00 2.23 3.38 0.59 -3.12 115.31 118.96 1hwt h LEU 124 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1hwt h LEU 124 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1hwt h LEU 124 CO 0.05 0.40 -0.02 -0.33 0.09 0.00 0.00 178.44 178.62 1hwt h GLU 125 N 0.00 0.00 -0.03 1.13 5.08 0.73 -3.34 114.58 118.15 1hwt h GLU 125 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1hwt h GLU 125 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1hwt h GLU 125 CO 0.05 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.69 1hwt n LYS 126 N -2.84 0.03 -1.32 2.33 4.76 0.10 -1.22 118.16 120.00 1hwt n LYS 126 Ca -0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 1hwt n LYS 126 Cb 0.01 -1.01 0.11 0.00 -1.84 0.00 0.00 35.03 32.30 1hwt n LYS 126 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1hwt n THR 127 N 0.34 2.47 0.00 -0.18 5.66 -1.18 -5.01 114.28 116.38 1hwt n THR 127 Ca 0.00 -3.62 0.00 0.00 -3.05 0.00 0.00 64.05 57.38 1hwt n THR 127 Cb 0.01 -0.71 0.00 0.00 -1.55 0.00 0.00 70.33 68.08 1hwt n THR 127 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02