#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 0.59 0.49 5.15 1.01 -1.26 -4.60 121.20 122.58 1hwt s ILE 60 Ca 0.00 -0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.29 1hwt s ILE 60 Cb 0.00 -0.78 -0.08 0.00 0.01 0.00 0.00 42.46 41.61 1hwt s ILE 60 CO 0.00 0.19 1.06 -2.65 0.00 0.00 0.00 174.94 173.54 1hwt n PRO 61 N 5.07 1.33 0.05 2.79 -0.02 -1.26 -4.95 135.00 138.02 1hwt n PRO 61 Ca -0.09 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 61.99 1hwt n PRO 61 Cb 0.49 -2.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 1hwt n PRO 61 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1hwt n LEU 62 N -0.02 0.59 -4.82 2.45 4.77 -1.26 -4.56 117.00 114.16 1hwt n LEU 62 Ca 0.10 0.14 -0.38 0.00 -0.03 0.00 0.00 56.01 55.85 1hwt n LEU 62 Cb 0.42 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1hwt n LEU 62 CO 0.55 -0.07 0.25 -0.44 -1.33 0.00 0.00 177.39 176.35 1hwt s SER 63 N -4.66 7.00 0.56 -1.43 0.01 -1.26 -4.79 113.70 109.13 1hwt s SER 63 Ca -0.00 1.20 -0.20 0.00 1.31 0.00 0.00 55.95 58.26 1hwt s SER 63 Cb 0.12 -2.34 -0.05 0.00 0.21 0.00 0.00 66.02 63.96 1hwt s SER 63 CO 0.81 0.25 1.14 0.00 0.41 0.00 0.00 173.24 175.85 1hwt h THR 65 N 0.97 0.70 -0.21 0.00 1.35 -1.86 -2.10 112.91 111.76 1hwt h THR 65 Ca -0.49 -0.23 -0.03 0.00 -0.55 0.00 0.00 66.41 65.12 1hwt h THR 65 Cb 1.34 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 1hwt h THR 65 CO 0.54 0.12 0.03 0.40 -0.25 0.00 0.00 175.52 176.36 1hwt h ILE 66 N 0.66 1.23 -0.17 6.82 1.08 -1.86 -1.18 117.51 124.09 1hwt h ILE 66 Ca 0.55 -0.75 -0.04 0.00 -0.39 0.00 0.00 64.86 64.23 1hwt h ILE 66 Cb 0.99 1.32 -0.01 0.00 -3.07 0.00 0.00 36.82 36.04 1hwt h ILE 66 CO -0.32 0.23 -0.07 0.00 -0.69 0.00 0.00 178.15 177.30 1hwt h ARG 68 N 0.25 -0.62 -0.28 0.00 9.65 -1.07 0.30 114.38 122.61 1hwt h ARG 68 Ca 0.05 0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.93 1hwt h ARG 68 Cb 0.29 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 1hwt h ARG 68 CO 0.01 -0.37 -0.04 0.87 2.80 0.00 0.00 179.97 183.24 1hwt h LYS 69 N -0.72 0.44 0.00 0.20 1.57 -0.59 -1.89 116.57 115.57 1hwt h LYS 69 Ca -0.07 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1hwt h LYS 69 Cb 0.53 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1hwt h LYS 69 CO 0.11 0.50 -0.16 0.00 -0.57 0.00 0.00 179.45 179.32 1hwt h ARG 70 N 0.42 0.00 -3.01 3.15 3.08 -0.21 -3.47 114.38 114.33 1hwt h ARG 70 Ca 0.09 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.91 1hwt h ARG 70 Cb 0.34 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.44 1hwt h ARG 70 CO 0.01 0.16 -0.35 1.63 -1.07 0.00 0.00 179.97 180.35 1hwt n LYS 71 N -3.19 -3.25 -4.39 0.04 5.02 0.98 -5.04 118.16 108.33 1hwt n LYS 71 Ca 0.02 0.50 -0.25 0.00 -2.02 0.00 0.00 58.31 56.56 1hwt n LYS 71 Cb 0.51 -4.52 -0.09 0.00 -0.02 0.00 0.00 35.03 30.91 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 -2.97 2.41 0.02 -0.18 -7.23 -0.76 -5.04 120.40 106.64 1hwt s VAL 72 Ca 0.21 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 1hwt s VAL 72 Cb -0.09 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.97 1hwt s VAL 72 CO 0.27 -0.14 1.16 -0.75 -0.31 0.00 0.00 175.10 175.32 1hwt s LYS 73 N -3.72 4.44 -0.15 4.82 2.47 -1.26 -4.64 119.74 121.70 1hwt s LYS 73 Ca 0.35 1.68 -0.16 0.00 -1.56 0.00 0.00 55.97 56.28 1hwt s LYS 73 Cb 0.03 -3.42 -0.04 0.00 -1.46 0.00 0.00 37.83 32.93 1hwt s LYS 73 CO 0.19 -0.27 0.37 0.00 0.16 0.00 0.00 175.35 175.80 1hwt n ASP 75 N 3.65 0.09 -2.23 0.00 5.75 -1.26 -4.90 116.55 117.65 1hwt n ASP 75 Ca -0.10 -1.19 -0.10 0.00 -0.01 0.00 0.00 54.79 53.39 1hwt n ASP 75 Cb 0.52 -0.00 -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 -0.85 -2.14 -3.00 0.11 5.02 -1.26 -4.94 118.16 111.10 1hwt n LYS 76 Ca 0.20 0.51 -0.37 0.00 -2.02 0.00 0.00 58.31 56.63 1hwt n LYS 76 Cb 0.11 -5.02 -0.06 0.00 -0.02 0.00 0.00 35.03 30.04 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 -5.09 4.43 0.23 -0.35 1.43 -1.26 -4.97 118.68 113.10 1hwt s LEU 77 Ca 0.00 1.57 0.07 0.00 -1.03 0.00 0.00 54.13 54.74 1hwt s LEU 77 Cb 0.00 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1hwt s LEU 77 CO 0.00 0.08 0.17 -0.13 0.23 0.00 0.00 176.35 176.69 1hwt s ARG 78 N -1.70 2.87 0.36 1.70 1.81 -1.26 -1.80 118.95 120.93 1hwt s ARG 78 Ca 0.42 -1.04 0.17 0.00 -1.72 0.00 0.00 55.73 53.56 1hwt s ARG 78 Cb -0.19 -2.55 0.67 0.00 -0.45 0.00 0.00 34.95 32.42 1hwt s ARG 78 CO 0.23 0.42 1.74 -1.00 -0.68 0.00 0.00 175.30 176.01 1hwt h PRO 79 N 1.75 0.00 -5.06 3.54 0.13 -1.99 -3.47 132.00 126.90 1hwt h PRO 79 Ca -0.48 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.21 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 0.41 -0.79 -1.01 -0.23 0.00 0.00 178.00 176.99 1hwt s HIS 80 N -3.74 1.07 0.72 1.56 3.76 -1.22 -4.80 115.29 112.63 1hwt s HIS 80 Ca -0.01 -0.23 -0.12 0.00 -0.15 0.00 0.00 55.06 54.55 1hwt s HIS 80 Cb 0.12 -0.67 0.03 0.00 1.11 0.00 0.00 32.58 33.16 1hwt s HIS 80 CO 0.70 -0.01 1.09 0.00 -0.85 0.00 0.00 174.74 175.67 1hwt h GLN 82 N -0.64 0.00 -0.13 0.00 1.08 -1.94 -1.75 115.11 111.73 1hwt h GLN 82 Ca -0.45 0.00 -0.03 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 0.53 0.06 -0.02 1.96 -0.95 0.00 0.00 178.83 180.41 1hwt h GLN 83 N 0.00 0.24 -0.32 1.46 7.50 -1.92 0.18 115.11 122.25 1hwt h GLN 83 Ca -0.00 -0.09 -0.07 0.00 0.50 0.00 0.00 58.65 58.99 1hwt h GLN 83 Cb 0.50 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.00 1hwt h GLN 83 CO 0.01 0.51 -0.09 0.00 -1.50 0.00 0.00 178.83 177.76 1hwt h THR 85 N 0.40 0.30 0.00 0.00 2.02 -1.16 0.52 112.91 115.00 1hwt h THR 85 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1hwt h THR 85 Cb 0.59 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1hwt h THR 85 CO 0.03 0.00 -0.04 0.11 0.37 0.00 0.00 175.52 175.99 1hwt h LYS 86 N -0.52 0.00 -0.02 6.66 6.56 -0.63 -0.70 116.57 127.92 1hwt h LYS 86 Ca 0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1hwt h LYS 86 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.23 1hwt h LYS 86 CO -0.22 0.04 -0.00 0.25 -2.06 0.00 0.00 179.45 177.46 1hwt n THR 87 N -4.25 0.00 -0.95 -0.16 -2.24 -0.90 -4.93 114.28 100.84 1hwt n THR 87 Ca -0.03 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1hwt n THR 87 Cb 0.13 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 1.19 0.46 0.90 3.38 0.00 -0.27 -4.95 105.19 105.89 1hwt n GLY 88 Ca 0.19 -0.62 0.01 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.95 2.38 -0.16 1.61 0.24 0.07 -4.74 118.33 114.78 1hwt n VAL 89 Ca 0.00 -2.66 0.20 0.00 -2.04 0.00 0.00 64.34 59.84 1hwt n VAL 89 Cb 0.00 -0.29 0.58 0.00 -1.47 0.00 0.00 33.84 32.67 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 1.02 2.35 0.00 2.33 0.00 -1.82 0.39 119.26 123.53 1hwt h ALA 90 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1hwt h ALA 90 Cb 1.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1hwt h ALA 90 CO 0.25 -0.58 0.00 -2.39 0.00 0.00 0.00 179.25 176.53 1hwt n HIS 91 N -4.43 0.00 0.34 0.00 1.44 -1.26 -1.58 115.22 109.73 1hwt n HIS 91 Ca 0.16 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.92 1hwt n HIS 91 Cb 0.67 -0.48 0.06 0.00 0.12 0.00 0.00 29.99 30.37 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 -1.48 2.06 -4.63 2.39 4.77 0.14 -4.96 117.00 115.29 1hwt n LEU 92 Ca 0.03 -1.17 -0.42 0.00 -0.03 0.00 0.00 56.01 54.43 1hwt n LEU 92 Cb 0.14 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1hwt n LEU 92 CO 0.11 0.42 0.60 0.00 -1.33 0.00 0.00 177.39 177.19 1hwt s HIS 94 N 2.85 -0.09 0.07 0.00 -3.43 -1.26 -4.79 115.29 108.65 1hwt s HIS 94 Ca 0.33 -0.01 0.05 0.00 -0.80 0.00 0.00 55.06 54.63 1hwt s HIS 94 Cb -0.15 0.07 -0.04 0.00 -1.43 0.00 0.00 32.58 31.03 1hwt s HIS 94 CO 0.09 -0.46 -0.04 0.71 -2.00 0.00 0.00 174.74 173.05 1hwt s TYR 95 N -2.24 2.91 0.38 0.38 1.51 -1.26 -2.57 117.35 116.46 1hwt s TYR 95 Ca -0.07 -0.06 -0.25 0.00 -1.01 0.00 0.00 57.07 55.68 1hwt s TYR 95 Cb -0.02 -1.53 -0.09 0.00 -0.11 0.00 0.00 41.96 40.21 1hwt s TYR 95 CO -0.02 0.44 1.12 -1.64 -1.11 0.00 0.00 175.55 174.35 1hwt s MET 96 N -2.07 4.17 0.00 -0.62 -1.94 -1.26 -4.94 119.30 112.65 1hwt s MET 96 Ca 0.23 1.74 0.05 0.00 -1.71 0.00 0.00 55.69 55.99 1hwt s MET 96 Cb -0.11 -2.71 -0.04 0.00 2.01 0.00 0.00 34.83 33.98 1hwt s MET 96 CO 0.14 -0.19 0.26 0.39 -0.01 0.00 0.00 175.02 175.61 1hwt n GLU 97 N 0.19 4.70 -4.15 2.03 1.02 -1.26 -4.93 120.64 118.25 1hwt n GLU 97 Ca 0.04 -0.11 -0.15 0.00 -0.02 0.00 0.00 57.16 56.92 1hwt n GLU 97 Cb 0.47 -0.77 -0.07 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 -1.29 1.67 0.98 3.49 -0.21 -1.26 -5.11 119.66 117.93 1hwt s GLN 98 Ca 0.02 -1.73 -0.12 0.00 0.02 0.00 0.00 55.36 53.56 1hwt s GLN 98 Cb 0.04 0.38 0.18 0.00 1.00 0.00 0.00 33.01 34.60 1hwt s GLN 98 CO 0.17 -0.65 1.08 0.95 -2.12 0.00 0.00 175.29 174.72 1hwt s THR 99 N -3.52 2.35 0.29 -0.19 -4.23 -1.26 -4.77 115.64 104.32 1hwt s THR 99 Ca 0.34 0.11 0.01 0.00 -1.18 0.00 0.00 61.69 60.98 1hwt s THR 99 Cb 0.02 -2.40 0.13 0.00 1.34 0.00 0.00 72.50 71.59 1hwt s THR 99 CO 0.19 -0.15 1.80 -0.25 -0.54 0.00 0.00 174.62 175.67 1hwt h TRP 100 N -1.92 0.67 -0.22 3.99 7.01 -2.00 -1.29 115.95 122.20 1hwt h TRP 100 Ca -0.52 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 60.36 1hwt h TRP 100 Cb 1.30 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 28.16 1hwt h TRP 100 CO 0.39 0.66 -0.01 0.00 -2.79 0.00 0.00 178.44 176.70 1hwt h ALA 101 N 1.37 0.30 -0.89 2.65 0.00 -1.97 -0.91 119.26 119.81 1hwt h ALA 101 Ca 0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1hwt h ALA 101 Cb 0.43 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1hwt h ALA 101 CO 0.02 0.03 0.55 0.93 0.00 0.00 0.00 179.25 180.79 1hwt h GLU 102 N 0.16 1.20 -0.01 0.00 5.08 -1.86 -1.79 114.58 117.36 1hwt h GLU 102 Ca 0.06 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1hwt h GLU 102 Cb 0.42 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1hwt h GLU 102 CO 0.01 0.82 -0.01 1.49 -1.00 0.00 0.00 179.01 180.33 1hwt h GLU 103 N 1.22 0.03 -0.82 2.33 4.81 -1.16 -2.15 114.58 118.84 1hwt h GLU 103 Ca 0.32 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.65 1hwt h GLU 103 Cb -0.08 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.22 1hwt h GLU 103 CO -0.06 0.46 0.45 0.00 -0.73 0.00 0.00 179.01 179.13 1hwt h ALA 104 N 0.57 1.19 -0.29 2.92 0.00 -1.04 -0.27 119.26 122.35 1hwt h ALA 104 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1hwt h ALA 104 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1hwt h ALA 104 CO 0.00 0.03 -0.19 1.49 0.00 0.00 0.00 179.25 180.58 1hwt h GLU 105 N 0.73 0.52 -0.38 0.00 4.57 -1.29 -1.90 114.58 116.83 1hwt h GLU 105 Ca 0.41 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 58.35 1hwt h GLU 105 Cb 0.45 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1hwt h GLU 105 CO -0.28 0.69 -0.01 -0.22 -1.18 0.00 0.00 179.01 178.01 1hwt h LYS 106 N 0.47 0.67 0.00 1.92 3.64 -0.40 -2.48 116.57 120.38 1hwt h LYS 106 Ca 0.08 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1hwt h LYS 106 Cb 0.60 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1hwt h LYS 106 CO 0.04 0.78 0.00 0.93 -2.27 0.00 0.00 179.45 178.93 1hwt h GLU 107 N 0.49 0.00 -0.09 1.90 4.39 -1.08 -1.92 114.58 118.27 1hwt h GLU 107 Ca 0.11 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.56 1hwt h GLU 107 Cb 0.48 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1hwt h GLU 107 CO 0.02 0.00 -0.89 -0.07 -1.16 0.00 0.00 179.01 176.91 1hwt h LEU 108 N 0.00 0.94 -0.81 1.33 3.38 -0.94 -1.79 115.31 117.43 1hwt h LEU 108 Ca 0.00 -0.67 -0.12 0.00 0.09 0.00 0.00 57.88 57.18 1hwt h LEU 108 Cb 0.53 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1hwt h LEU 108 CO 0.00 1.48 -0.44 -0.07 0.09 0.00 0.00 178.44 179.49 1hwt h LEU 109 N 0.49 0.36 -0.35 1.67 3.38 -1.08 -2.53 115.31 117.25 1hwt h LEU 109 Ca -0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1hwt h LEU 109 Cb 1.53 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 1hwt h LEU 109 CO 0.18 0.76 0.09 0.11 0.09 0.00 0.00 178.44 179.67 1hwt h LYS 110 N 0.28 0.55 -0.44 1.13 6.56 -1.29 0.15 116.57 123.51 1hwt h LYS 110 Ca 0.02 -0.13 0.09 0.00 -1.06 0.00 0.00 60.65 59.57 1hwt h LYS 110 Cb 0.89 -0.07 -0.08 0.00 -0.57 0.00 0.00 32.23 32.40 1hwt h LYS 110 CO 0.07 0.60 -0.04 -0.44 -2.06 0.00 0.00 179.45 177.58 1hwt h ASP 111 N 0.41 -0.27 -0.49 0.86 5.19 -1.00 0.91 116.42 122.04 1hwt h ASP 111 Ca 0.11 0.11 -0.12 0.00 -0.62 0.00 0.00 57.03 56.51 1hwt h ASP 111 Cb 0.29 0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1hwt h ASP 111 CO -0.00 -0.09 -0.17 -1.13 -3.12 0.00 0.00 179.24 174.73 1hwt h ASN 112 N 0.07 1.00 -0.19 6.45 -1.24 -1.22 -1.92 115.58 118.52 1hwt h ASN 112 Ca 0.22 -0.38 -0.07 0.00 0.71 0.00 0.00 56.30 56.78 1hwt h ASN 112 Cb 0.33 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 1hwt h ASN 112 CO -0.40 1.15 -0.11 -0.33 -1.29 0.00 0.00 177.43 176.45 1hwt h GLU 113 N 0.83 0.56 -0.03 6.67 3.07 -0.47 -1.25 114.58 123.96 1hwt h GLU 113 Ca 0.12 -0.16 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1hwt h GLU 113 Cb 0.74 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.59 1hwt h GLU 113 CO 0.06 0.66 0.01 1.25 -1.40 0.00 0.00 179.01 179.59 1hwt h LEU 114 N 0.52 0.04 -0.37 1.33 6.46 -0.63 -0.68 115.31 121.98 1hwt h LEU 114 Ca 0.10 -0.20 0.06 0.00 -0.12 0.00 0.00 57.88 57.71 1hwt h LEU 114 Cb 0.50 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.36 1hwt h LEU 114 CO 0.03 0.23 0.07 0.50 -0.62 0.00 0.00 178.44 178.65 1hwt h LYS 115 N -0.14 0.18 -0.03 1.25 3.64 -1.04 -0.90 116.57 119.52 1hwt h LYS 115 Ca 0.01 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1hwt h LYS 115 Cb 0.20 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1hwt h LYS 115 CO -0.00 0.12 -0.10 0.87 -2.27 0.00 0.00 179.45 178.07 1hwt h LYS 116 N 0.19 0.05 -0.00 1.90 1.57 -1.03 -2.07 116.57 117.17 1hwt h LYS 116 Ca 0.18 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1hwt h LYS 116 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1hwt h LYS 116 CO -0.24 0.16 -0.01 -0.07 -0.57 0.00 0.00 179.45 178.72 1hwt h LEU 117 N 0.05 0.02 -1.71 2.94 3.38 -0.05 -1.18 115.31 118.75 1hwt h LEU 117 Ca 0.01 -0.58 0.08 0.00 0.09 0.00 0.00 57.88 57.49 1hwt h LEU 117 Cb 0.21 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1hwt h LEU 117 CO 0.01 0.59 0.34 -0.09 0.09 0.00 0.00 178.44 179.38 1hwt h ARG 118 N -0.56 0.33 -0.13 1.13 2.43 -0.96 0.18 114.38 116.80 1hwt h ARG 118 Ca 0.00 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 1hwt h ARG 118 Cb 0.59 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1hwt h ARG 118 CO 0.00 0.22 -0.68 0.93 -1.51 0.00 0.00 179.97 178.92 1hwt h GLU 119 N 0.34 0.53 -0.10 0.20 5.08 -1.29 -2.63 114.58 116.71 1hwt h GLU 119 Ca 0.23 -0.40 -0.18 0.00 -1.00 0.00 0.00 59.36 58.00 1hwt h GLU 119 Cb 0.46 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1hwt h GLU 119 CO -0.05 1.03 -0.70 -0.09 -1.00 0.00 0.00 179.01 178.20 1hwt h ARG 120 N 0.38 0.45 -0.51 2.33 9.65 0.38 -1.91 114.38 125.16 1hwt h ARG 120 Ca -0.02 -0.35 -0.12 0.00 -1.10 0.00 0.00 59.98 58.38 1hwt h ARG 120 Cb 1.26 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.89 1hwt h ARG 120 CO 0.13 0.98 -0.16 0.28 2.80 0.00 0.00 179.97 183.99 1hwt h VAL 121 N 0.32 1.27 0.37 0.20 2.07 -0.76 0.21 116.25 119.93 1hwt h VAL 121 Ca -0.03 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 1hwt h VAL 121 Cb 1.27 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1hwt h VAL 121 CO 0.12 0.46 -0.18 0.11 0.02 0.00 0.00 177.57 178.11 1hwt h LYS 122 N 0.88 -0.48 -0.09 1.57 6.56 -1.41 0.18 116.57 123.78 1hwt h LYS 122 Ca 0.13 0.03 0.04 0.00 -1.06 0.00 0.00 60.65 59.79 1hwt h LYS 122 Cb 0.73 0.11 -0.06 0.00 -0.57 0.00 0.00 32.23 32.44 1hwt h LYS 122 CO 0.06 -0.28 -0.38 1.03 -2.06 0.00 0.00 179.45 177.82 1hwt h SER 123 N -0.57 -1.17 0.37 0.86 0.87 -1.17 0.50 113.55 113.23 1hwt h SER 123 Ca -0.05 0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1hwt h SER 123 Cb 0.43 0.48 -0.02 0.00 -0.44 0.00 0.00 62.40 62.84 1hwt h SER 123 CO 0.08 -0.41 -0.41 -0.07 -0.53 0.00 0.00 176.83 175.49 1hwt h LEU 124 N -0.48 -1.15 -0.73 2.23 3.38 -0.41 -2.70 115.31 115.44 1hwt h LEU 124 Ca 0.08 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1hwt h LEU 124 Cb 0.60 0.38 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1hwt h LEU 124 CO -0.35 -0.53 0.25 1.05 0.09 0.00 0.00 178.44 178.94 1hwt h GLU 125 N -0.79 1.13 -0.72 1.13 4.11 -0.86 -1.49 114.58 117.09 1hwt h GLU 125 Ca -0.05 -0.23 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1hwt h GLU 125 Cb 0.70 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1hwt h GLU 125 CO -0.07 0.95 0.00 1.63 0.07 0.00 0.00 179.01 181.59 1hwt n LYS 126 N -4.29 0.72 0.00 1.06 4.01 0.17 -0.32 118.16 119.52 1hwt n LYS 126 Ca 0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 1hwt n LYS 126 Cb 0.22 -1.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 1hwt n LYS 126 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1hwt n THR 127 N 0.14 0.00 1.44 -0.18 -1.04 -0.72 -4.94 114.28 108.97 1hwt n THR 127 Ca 0.00 -0.01 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 1hwt n THR 127 Cb 0.18 0.23 0.68 0.00 -1.82 0.00 0.00 70.33 69.60 1hwt n THR 127 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32