#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgh s TYR 105 N 0.00 3.02 -0.07 1.12 1.51 -0.20 -4.94 117.35 117.80 2hgh s TYR 105 Ca 0.00 -0.57 0.02 0.00 -1.01 0.00 0.00 57.07 55.51 2hgh s TYR 105 Cb 0.00 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 2hgh s TYR 105 CO 0.00 -0.32 -0.11 0.08 -1.11 0.00 0.00 175.55 174.09 2hgh s VAL 106 N 1.15 3.37 -0.02 0.71 1.01 -1.26 -0.21 120.40 125.14 2hgh s VAL 106 Ca 0.03 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 2hgh s VAL 106 Cb -0.14 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2hgh s VAL 106 CO 0.01 0.59 1.07 0.00 0.00 0.00 0.00 175.10 176.77 2hgh n HIS 108 N 4.40 1.24 -1.38 0.00 8.25 -1.26 -2.54 115.22 123.94 2hgh n HIS 108 Ca 0.08 -1.17 -0.34 0.00 -0.26 0.00 0.00 57.72 56.03 2hgh n HIS 108 Cb 0.49 -0.44 0.10 0.00 1.12 0.00 0.00 29.99 31.26 2hgh n HIS 108 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2hgh s PHE 109 N -2.99 1.99 -0.18 4.41 2.19 -1.26 -4.83 117.98 117.30 2hgh s PHE 109 Ca 0.45 1.61 -0.32 0.00 0.33 0.00 0.00 56.93 59.00 2hgh s PHE 109 Cb 0.38 -3.50 -0.09 0.00 -1.31 0.00 0.00 43.02 38.50 2hgh s PHE 109 CO 0.07 -2.71 2.07 -1.91 1.83 0.00 0.00 175.22 174.57 2hgh n GLU 110 N -2.80 1.92 -1.16 10.12 2.13 -1.26 -1.39 120.64 128.20 2hgh n GLU 110 Ca 0.14 0.62 -0.06 0.00 0.66 0.00 0.00 57.16 58.53 2hgh n GLU 110 Cb 0.50 -2.81 -0.02 0.00 0.27 0.00 0.00 31.44 29.37 2hgh n GLU 110 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2hgh n ASN 111 N 9.01 -4.41 0.00 4.31 5.15 -1.26 -4.94 115.26 123.12 2hgh n ASN 111 Ca 0.29 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.41 2hgh n ASN 111 Cb 0.34 -2.40 0.00 0.00 -0.53 0.00 0.00 39.78 37.19 2hgh n ASN 111 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2hgh n GLY 113 N 2.41 0.59 3.77 0.00 0.00 -1.05 -5.01 105.19 105.90 2hgh n GLY 113 Ca 0.00 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 2hgh n GLY 113 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hgh s LYS 114 N -1.55 4.10 -0.03 1.61 2.20 -1.25 -4.78 119.74 120.04 2hgh s LYS 114 Ca 0.00 1.91 0.06 0.00 -0.36 0.00 0.00 55.97 57.58 2hgh s LYS 114 Cb 0.00 -2.75 -0.01 0.00 -1.51 0.00 0.00 37.83 33.56 2hgh s LYS 114 CO 0.00 -0.30 -0.20 0.00 -0.36 0.00 0.00 175.35 174.49 2hgh s ALA 115 N -1.36 1.73 0.16 3.13 0.00 -1.26 -0.27 121.76 123.88 2hgh s ALA 115 Ca 0.56 -0.85 0.08 0.00 0.00 0.00 0.00 51.96 51.74 2hgh s ALA 115 Cb -0.32 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 2hgh s ALA 115 CO 0.41 0.38 -0.17 -0.06 0.00 0.00 0.00 175.76 176.32 2hgh s PHE 116 N -0.27 1.70 0.18 0.00 0.40 0.71 -4.98 117.98 115.72 2hgh s PHE 116 Ca 0.03 -0.50 -0.10 0.00 -0.60 0.00 0.00 56.93 55.75 2hgh s PHE 116 Cb -0.10 -0.85 0.07 0.00 0.51 0.00 0.00 43.02 42.65 2hgh s PHE 116 CO 0.01 0.28 1.67 -0.22 0.70 0.00 0.00 175.22 177.66 2hgh h LYS 117 N 3.25 1.02 -4.96 0.44 3.64 -1.97 -0.50 116.57 117.49 2hgh h LYS 117 Ca -0.41 -0.27 -0.38 0.00 -1.27 0.00 0.00 60.65 58.31 2hgh h LYS 117 Cb 1.20 -0.12 -0.25 0.00 -0.41 0.00 0.00 32.23 32.66 2hgh h LYS 117 CO 0.52 0.95 -0.77 0.15 -2.27 0.00 0.00 179.45 178.03 2hgh s LYS 118 N -5.21 0.75 0.47 1.90 -0.14 -1.26 -4.52 119.74 111.73 2hgh s LYS 118 Ca -0.12 -0.64 0.18 0.00 -1.36 0.00 0.00 55.97 54.02 2hgh s LYS 118 Cb 0.13 -0.70 1.14 0.00 -1.68 0.00 0.00 37.83 36.72 2hgh s LYS 118 CO 0.84 0.17 2.02 1.12 -0.76 0.00 0.00 175.35 178.74 2hgh h HIS 119 N 5.06 0.00 -0.12 3.18 2.07 -1.92 -1.19 115.15 122.23 2hgh h HIS 119 Ca -0.36 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.12 2hgh h HIS 119 Cb 1.19 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.16 2hgh h HIS 119 CO 0.53 0.16 -0.13 -0.91 -3.07 0.00 0.00 177.93 174.51 2hgh h ASN 120 N 0.00 0.17 -0.02 3.10 2.35 -1.98 0.23 115.58 119.43 2hgh h ASN 120 Ca -0.00 -0.03 -0.20 0.00 -0.55 0.00 0.00 56.30 55.51 2hgh h ASN 120 Cb 0.30 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2hgh h ASN 120 CO 0.02 0.33 -0.73 1.56 -1.65 0.00 0.00 177.43 176.96 2hgh h GLN 121 N 0.18 0.67 -0.31 0.81 4.20 -1.66 -1.27 115.11 117.73 2hgh h GLN 121 Ca 0.04 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 58.22 2hgh h GLN 121 Cb 0.35 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2hgh h GLN 121 CO 0.02 1.14 0.20 1.25 -0.67 0.00 0.00 178.83 180.78 2hgh h LEU 122 N 0.46 0.35 -0.69 1.46 5.85 -1.01 0.23 115.31 121.96 2hgh h LEU 122 Ca -0.04 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.73 2hgh h LEU 122 Cb 1.34 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 2hgh h LEU 122 CO 0.14 0.25 0.40 0.50 -0.34 0.00 0.00 178.44 179.39 2hgh h LYS 123 N 0.41 0.72 -0.89 1.25 3.64 -0.54 -0.38 116.57 120.78 2hgh h LYS 123 Ca 0.11 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2hgh h LYS 123 Cb -0.04 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.56 2hgh h LYS 123 CO -0.03 0.47 0.58 0.28 -2.27 0.00 0.00 179.45 178.49 2hgh h VAL 124 N 0.74 1.18 -0.23 2.00 2.07 -0.73 -2.21 116.25 119.07 2hgh h VAL 124 Ca 0.30 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 2hgh h VAL 124 Cb 0.16 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 2hgh h VAL 124 CO -0.17 0.21 -0.13 -0.74 0.02 0.00 0.00 177.57 176.76 2hgh h HIS 125 N 1.15 0.58 -0.12 1.57 -0.00 -0.06 -3.19 115.15 115.08 2hgh h HIS 125 Ca 0.34 -0.15 -0.07 0.00 -0.00 0.00 0.00 60.37 60.50 2hgh h HIS 125 Cb -0.05 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 2hgh h HIS 125 CO -0.01 0.78 -0.23 1.96 -0.00 0.00 0.00 177.93 180.44 2hgh h GLN 126 N 0.20 0.20 -0.45 5.26 4.20 -0.92 -1.59 115.11 122.01 2hgh h GLN 126 Ca 0.05 -0.06 0.13 0.00 0.06 0.00 0.00 58.65 58.83 2hgh h GLN 126 Cb 0.65 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 2hgh h GLN 126 CO 0.04 0.43 0.36 0.27 -0.67 0.00 0.00 178.83 179.25 2hgh h PHE 127 N 0.19 0.00 -0.16 2.96 -5.15 -1.38 -0.73 116.94 112.67 2hgh h PHE 127 Ca 0.03 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.76 2hgh h PHE 127 Cb 0.51 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.67 2hgh h PHE 127 CO 0.01 0.00 -0.05 1.03 -2.00 0.00 0.00 178.31 177.30 2hgh h SER 128 N 0.00 0.31 -0.38 -0.68 0.87 -1.38 0.24 113.55 112.54 2hgh h SER 128 Ca 0.21 -0.38 -0.06 0.00 -1.23 0.00 0.00 61.79 60.33 2hgh h SER 128 Cb 0.92 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 2hgh h SER 128 CO -0.00 0.63 0.04 0.45 -0.53 0.00 0.00 176.83 177.41 2hgh h HIS 129 N -0.00 0.77 0.00 2.24 3.86 -1.25 -2.50 115.15 118.26 2hgh h HIS 129 Ca 0.04 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2hgh h HIS 129 Cb 0.50 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2hgh h HIS 129 CO 0.06 0.70 -0.19 1.79 0.86 0.00 0.00 177.93 181.14 2hgh h THR 130 N 0.70 0.00 -3.84 2.45 1.35 -1.17 -3.48 112.91 108.92 2hgh h THR 130 Ca 0.14 -0.88 -0.35 0.00 -0.55 0.00 0.00 66.41 64.78 2hgh h THR 130 Cb 0.38 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 2hgh h THR 130 CO 0.01 0.00 -0.47 1.67 -0.25 0.00 0.00 175.52 176.48 2hgh n GLN 131 N -2.83 -2.62 -4.24 4.72 -0.06 0.81 -5.00 117.38 108.15 2hgh n GLN 131 Ca 0.04 0.78 -0.18 0.00 -2.00 0.00 0.00 57.00 55.64 2hgh n GLN 131 Cb 0.51 -5.46 -0.11 0.00 -4.06 0.00 0.00 30.24 21.12 2hgh n GLN 131 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 2hgh s GLN 132 N -5.26 1.03 -0.10 3.69 1.03 -1.07 -5.04 119.66 113.95 2hgh s GLN 132 Ca 0.10 -1.27 -0.15 0.00 0.04 0.00 0.00 55.36 54.08 2hgh s GLN 132 Cb -0.05 -0.88 -0.05 0.00 0.03 0.00 0.00 33.01 32.06 2hgh s GLN 132 CO 0.12 0.16 0.36 -0.51 -2.54 0.00 0.00 175.29 172.89 2hgh s LEU 133 N -2.55 4.32 0.07 2.60 1.43 -1.26 -4.60 118.68 118.70 2hgh s LEU 133 Ca 0.10 0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 53.83 2hgh s LEU 133 Cb -0.04 -2.50 -0.26 0.00 0.03 0.00 0.00 46.19 43.42 2hgh s LEU 133 CO 0.03 0.15 1.14 1.55 0.23 0.00 0.00 176.35 179.45 2hgh h PRO 134 N 6.05 0.40 -3.94 1.29 0.13 -1.87 -3.43 132.00 130.63 2hgh h PRO 134 Ca -0.45 -0.60 -0.77 0.00 -0.87 0.00 0.00 66.00 63.31 2hgh h PRO 134 Cb 1.19 0.21 -0.26 0.00 0.13 0.00 0.00 31.00 32.27 2hgh h PRO 134 CO 0.71 1.27 -0.05 0.71 -0.23 0.00 0.00 178.00 180.40 2hgh s TYR 135 N -2.80 3.55 -0.07 1.56 2.02 -1.13 -4.99 117.35 115.50 2hgh s TYR 135 Ca -0.06 -1.75 -0.03 0.00 -0.37 0.00 0.00 57.07 54.86 2hgh s TYR 135 Cb 0.07 -3.79 -0.04 0.00 -0.40 0.00 0.00 41.96 37.80 2hgh s TYR 135 CO 0.90 -1.00 0.09 -1.83 -1.57 0.00 0.00 175.55 172.14 2hgh s GLU 136 N 0.73 3.22 -0.14 -0.62 -1.05 -1.26 -0.11 118.70 119.47 2hgh s GLU 136 Ca 0.12 -0.31 -0.29 0.00 -0.15 0.00 0.00 54.97 54.33 2hgh s GLU 136 Cb -0.18 -2.99 -0.02 0.00 -0.44 0.00 0.00 34.13 30.50 2hgh s GLU 136 CO -0.04 0.72 1.28 0.00 0.95 0.00 0.00 175.26 178.16 2hgh n PRO 138 N 6.38 1.96 -2.06 0.00 -0.04 -1.26 -4.38 135.00 135.60 2hgh n PRO 138 Ca 0.14 -1.45 -0.36 0.00 -0.04 0.00 0.00 63.50 61.79 2hgh n PRO 138 Cb 0.45 -1.41 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 2hgh n PRO 138 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2hgh s HIS 139 N -1.67 2.49 -0.00 0.54 2.46 -1.26 -4.93 115.29 112.92 2hgh s HIS 139 Ca 0.33 1.50 -0.30 0.00 0.47 0.00 0.00 55.06 57.06 2hgh s HIS 139 Cb 0.18 -3.48 -0.07 0.00 -0.13 0.00 0.00 32.58 29.08 2hgh s HIS 139 CO 0.26 -2.11 1.69 -2.00 -2.47 0.00 0.00 174.74 170.12 2hgh s GLU 140 N -3.16 4.18 0.00 2.88 2.12 -1.26 -2.02 118.70 121.44 2hgh s GLU 140 Ca 0.74 2.29 0.00 0.00 0.36 0.00 0.00 54.97 58.36 2hgh s GLU 140 Cb -0.31 -3.88 0.00 0.00 0.26 0.00 0.00 34.13 30.20 2hgh s GLU 140 CO 0.34 -0.82 0.00 0.41 -0.54 0.00 0.00 175.26 174.65 2hgh n GLY 141 N 4.14 0.75 3.52 -1.50 0.00 -1.26 -5.06 105.19 105.78 2hgh n GLY 141 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 2hgh n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgh n ASP 143 N -0.03 0.00 -4.76 0.00 2.03 -1.26 -4.66 116.55 107.86 2hgh n ASP 143 Ca -0.10 -1.16 -0.37 0.00 0.52 0.00 0.00 54.79 53.67 2hgh n ASP 143 Cb 0.56 -0.03 0.01 0.00 -0.72 0.00 0.00 41.12 40.94 2hgh n ASP 143 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2hgh s LYS 144 N 0.00 3.46 0.06 -0.67 1.02 -1.26 -4.81 119.74 117.54 2hgh s LYS 144 Ca 0.00 1.96 0.04 0.00 0.02 0.00 0.00 55.97 57.99 2hgh s LYS 144 Cb 0.00 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 2hgh s LYS 144 CO 0.00 -0.85 -0.11 1.03 -0.92 0.00 0.00 175.35 174.50 2hgh s ARG 145 N -2.82 0.69 0.12 1.68 0.52 -1.26 -0.74 118.95 117.14 2hgh s ARG 145 Ca 0.68 -0.90 0.03 0.00 -0.52 0.00 0.00 55.73 55.01 2hgh s ARG 145 Cb -0.33 -0.54 -0.04 0.00 0.52 0.00 0.00 34.95 34.55 2hgh s ARG 145 CO 0.40 0.11 -0.07 -0.06 0.02 0.00 0.00 175.30 175.69 2hgh s PHE 146 N -1.51 1.06 -0.02 -0.53 0.40 0.85 -4.98 117.98 113.24 2hgh s PHE 146 Ca -0.04 -0.87 0.12 0.00 -0.60 0.00 0.00 56.93 55.54 2hgh s PHE 146 Cb -0.09 -0.58 -0.15 0.00 0.51 0.00 0.00 43.02 42.71 2hgh s PHE 146 CO 0.01 -0.07 1.08 0.77 0.70 0.00 0.00 175.22 177.71 2hgh h SER 147 N 2.87 0.00 -4.36 1.36 0.02 -1.97 -2.98 113.55 108.49 2hgh h SER 147 Ca -0.36 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.26 2hgh h SER 147 Cb 1.18 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.54 2hgh h SER 147 CO 0.64 0.83 -0.74 -0.76 -1.14 0.00 0.00 176.83 175.66 2hgh s LEU 148 N -6.34 2.39 0.37 5.07 2.01 -1.26 -4.80 118.68 116.12 2hgh s LEU 148 Ca -0.01 -0.79 0.12 0.00 0.01 0.00 0.00 54.13 53.46 2hgh s LEU 148 Cb 0.09 -0.34 0.72 0.00 0.01 0.00 0.00 46.19 46.67 2hgh s LEU 148 CO 0.81 -0.23 1.84 1.55 1.01 0.00 0.00 176.35 181.32 2hgh h PRO 149 N 3.64 0.05 -0.71 1.29 0.13 -1.96 -2.38 132.00 132.06 2hgh h PRO 149 Ca -0.38 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 2hgh h PRO 149 Cb 1.19 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2hgh h PRO 149 CO 0.51 0.38 0.40 0.66 -0.23 0.00 0.00 178.00 179.72 2hgh h SER 150 N 0.05 0.87 -0.17 1.44 4.64 -1.98 0.13 113.55 118.52 2hgh h SER 150 Ca 0.00 -0.06 -0.20 0.00 -0.47 0.00 0.00 61.79 61.06 2hgh h SER 150 Cb 0.61 -0.22 0.01 0.00 -0.31 0.00 0.00 62.40 62.49 2hgh h SER 150 CO 0.04 0.69 -0.67 0.03 -0.87 0.00 0.00 176.83 176.06 2hgh h ARG 151 N 0.99 0.75 -0.42 4.77 2.47 -1.86 -1.58 114.38 119.50 2hgh h ARG 151 Ca 0.25 -0.58 -0.04 0.00 -1.26 0.00 0.00 59.98 58.35 2hgh h ARG 151 Cb 0.01 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 2hgh h ARG 151 CO -0.04 1.20 0.10 1.25 0.56 0.00 0.00 179.97 183.03 2hgh h LEU 152 N 0.47 0.63 -0.56 3.04 5.85 -1.28 -0.14 115.31 123.32 2hgh h LEU 152 Ca -0.04 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.53 2hgh h LEU 152 Cb 1.30 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 2hgh h LEU 152 CO 0.14 0.71 0.23 0.50 -0.34 0.00 0.00 178.44 179.67 2hgh h LYS 153 N 0.53 0.41 -0.02 1.25 3.64 -0.69 0.15 116.57 121.84 2hgh h LYS 153 Ca 0.13 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 2hgh h LYS 153 Cb 0.32 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2hgh h LYS 153 CO 0.00 0.27 -0.39 0.00 -2.27 0.00 0.00 179.45 177.06 2hgh h ARG 154 N 0.43 0.05 -0.38 1.90 3.08 -1.08 -2.86 114.38 115.51 2hgh h ARG 154 Ca 0.27 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 2hgh h ARG 154 Cb 0.29 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2hgh h ARG 154 CO -0.26 0.44 -0.28 1.25 -1.07 0.00 0.00 179.97 180.05 2hgh h HIS 155 N 0.04 1.01 -0.26 3.04 2.76 0.38 -3.05 115.15 119.07 2hgh h HIS 155 Ca 0.00 -0.28 0.03 0.00 -2.20 0.00 0.00 60.37 57.93 2hgh h HIS 155 Cb 0.72 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 2hgh h HIS 155 CO 0.00 1.07 0.18 0.93 -1.30 0.00 0.00 177.93 178.81 2hgh h GLU 156 N 0.66 0.20 -0.01 5.26 5.08 -0.55 0.24 114.58 125.46 2hgh h GLU 156 Ca 0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2hgh h GLU 156 Cb 0.85 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2hgh h GLU 156 CO 0.07 0.13 0.01 -0.22 -1.00 0.00 0.00 179.01 178.01 2hgh h LYS 157 N 0.21 0.00 -0.68 2.33 1.63 -1.42 -1.42 116.57 117.22 2hgh h LYS 157 Ca 0.11 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 2hgh h LYS 157 Cb 0.18 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 2hgh h LYS 157 CO -0.02 0.00 0.37 0.28 -3.45 0.00 0.00 179.45 176.63 2hgh h VAL 158 N 0.00 1.22 -0.00 2.00 2.07 -1.04 -0.52 116.25 119.97 2hgh h VAL 158 Ca 0.01 -0.55 -0.16 0.00 0.82 0.00 0.00 66.70 66.81 2hgh h VAL 158 Cb 0.03 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 2hgh h VAL 158 CO -0.00 0.24 -0.76 0.45 0.02 0.00 0.00 177.57 177.52 2hgh h HIS 159 N 0.94 0.01 0.00 1.57 3.86 -1.39 -2.95 115.15 117.19 2hgh h HIS 159 Ca 0.24 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.38 2hgh h HIS 159 Cb 0.05 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 2hgh h HIS 159 CO -0.00 0.77 -0.34 0.00 0.86 0.00 0.00 177.93 179.22 2hgh h ALA 160 N 1.23 1.06 0.00 2.45 0.00 -1.01 -3.50 119.26 119.51 2hgh h ALA 160 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2hgh h ALA 160 Cb 1.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2hgh h ALA 160 CO 0.10 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.18 2hgh n GLY 161 N 0.06 -0.31 2.88 0.00 0.00 -0.24 -4.91 105.19 102.67 2hgh n GLY 161 Ca -0.01 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 2hgh n GLY 161 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hgh s TYR 162 N -2.00 2.86 0.31 1.61 1.51 -0.10 -4.87 117.35 116.66 2hgh s TYR 162 Ca 0.00 -2.72 -0.22 0.00 -1.01 0.00 0.00 57.07 53.12 2hgh s TYR 162 Cb 0.00 -2.47 -0.09 0.00 -0.11 0.00 0.00 41.96 39.28 2hgh s TYR 162 CO 0.00 -0.84 0.85 -1.25 -1.11 0.00 0.00 175.55 173.20 2hgh s PRO 163 N 0.54 4.35 0.32 -1.71 0.04 -1.26 -1.19 135.00 136.09 2hgh s PRO 163 Ca 0.14 1.07 -0.28 0.00 0.04 0.00 0.00 61.00 61.98 2hgh s PRO 163 Cb -0.22 -2.68 -0.09 0.00 0.04 0.00 0.00 34.50 31.55 2hgh s PRO 163 CO -0.07 0.25 1.09 0.00 0.04 0.00 0.00 177.00 178.32 2hgh n LYS 165 N 0.75 0.00 0.27 0.00 3.00 -1.26 -4.76 118.16 116.16 2hgh n LYS 165 Ca 0.01 -0.55 0.14 0.00 -0.00 0.00 0.00 58.31 57.91 2hgh n LYS 165 Cb 0.46 -0.42 0.74 0.00 0.00 0.00 0.00 35.03 35.81 2hgh n LYS 165 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2hgh h LYS 166 N 0.00 0.00 -3.08 1.64 1.79 -1.98 -3.43 116.57 111.51 2hgh h LYS 166 Ca 0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 2hgh h LYS 166 Cb 1.11 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.53 2hgh h LYS 166 CO 0.00 0.10 -0.35 0.34 -1.08 0.00 0.00 179.45 178.46 2hgh s ASP 167 N -5.98 -0.23 0.48 0.86 -1.08 -1.26 -5.05 116.67 104.40 2hgh s ASP 167 Ca -0.02 0.35 0.22 0.00 -0.52 0.00 0.00 52.55 52.57 2hgh s ASP 167 Cb 0.12 0.47 1.20 0.00 -1.46 0.00 0.00 42.92 43.25 2hgh s ASP 167 CO 0.57 -0.24 2.01 -0.78 0.52 0.00 0.00 175.17 177.24 2hgh h ASP 168 N 4.95 0.00 -0.49 -0.34 3.58 -1.97 -2.40 116.42 119.75 2hgh h ASP 168 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2hgh h ASP 168 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2hgh h ASP 168 CO 0.35 0.18 0.00 -1.20 -2.88 0.00 0.00 179.24 175.69 2hgh n SER 169 N -3.89 4.26 -4.96 2.28 7.64 -1.26 -4.90 113.62 112.79 2hgh n SER 169 Ca -0.02 -2.52 -0.22 0.00 1.01 0.00 0.00 58.87 57.12 2hgh n SER 169 Cb 0.27 -0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 62.88 2hgh n SER 169 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hgh n SER 171 N -1.56 0.00 -4.76 0.00 3.41 -1.26 -4.98 113.62 104.46 2hgh n SER 171 Ca -0.07 -1.00 -0.41 0.00 -0.26 0.00 0.00 58.87 57.13 2hgh n SER 171 Cb 0.57 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 2hgh n SER 171 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2hgh s PHE 172 N 0.00 2.96 -0.10 7.33 2.19 -1.26 -4.86 117.98 124.24 2hgh s PHE 172 Ca 0.00 1.24 0.01 0.00 0.33 0.00 0.00 56.93 58.51 2hgh s PHE 172 Cb 0.00 -3.79 0.02 0.00 -1.31 0.00 0.00 43.02 37.94 2hgh s PHE 172 CO 0.00 -2.33 -0.10 0.08 1.83 0.00 0.00 175.22 174.70 2hgh s VAL 173 N -0.74 1.16 0.09 3.12 1.01 -1.26 -0.64 120.40 123.14 2hgh s VAL 173 Ca 0.53 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 2hgh s VAL 173 Cb -0.42 -1.12 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 2hgh s VAL 173 CO 0.51 0.38 0.62 -0.83 0.00 0.00 0.00 175.10 175.79 2hgh s GLY 174 N 1.28 2.73 0.53 4.51 0.00 -0.33 -4.83 107.32 111.21 2hgh s GLY 174 Ca -0.02 0.12 0.34 0.00 0.00 0.00 0.00 44.72 45.15 2hgh s GLY 174 CO -0.04 0.59 1.99 1.70 0.00 0.00 0.00 173.10 177.34 2hgh h LYS 175 N 4.59 0.00 -3.83 2.90 3.64 -1.89 -0.25 116.57 121.73 2hgh h LYS 175 Ca -0.49 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.81 2hgh h LYS 175 Cb 1.21 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.89 2hgh h LYS 175 CO 0.65 0.00 -0.37 0.95 -2.27 0.00 0.00 179.45 178.41 2hgh s THR 176 N -3.68 0.13 0.29 1.00 -4.23 -1.26 -4.64 115.64 103.25 2hgh s THR 176 Ca 0.01 -1.22 -0.01 0.00 -1.18 0.00 0.00 61.69 59.30 2hgh s THR 176 Cb 0.09 -1.42 0.28 0.00 1.34 0.00 0.00 72.50 72.79 2hgh s THR 176 CO 0.51 -0.60 1.92 -0.25 -0.54 0.00 0.00 174.62 175.66 2hgh h TRP 177 N 2.72 1.08 -0.35 3.99 -0.00 -1.94 -1.96 115.95 119.48 2hgh h TRP 177 Ca -0.34 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.62 2hgh h TRP 177 Cb 1.20 -0.36 -0.04 0.00 -0.00 0.00 0.00 29.16 29.97 2hgh h TRP 177 CO 0.42 0.59 0.13 1.79 -0.00 0.00 0.00 178.44 181.37 2hgh h THR 178 N 1.08 0.91 -0.47 2.65 1.35 -1.98 -1.41 112.91 115.05 2hgh h THR 178 Ca 0.38 -0.10 -0.02 0.00 -0.55 0.00 0.00 66.41 66.12 2hgh h THR 178 Cb 0.13 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 67.13 2hgh h THR 178 CO -0.14 0.05 0.19 -0.07 -0.25 0.00 0.00 175.52 175.31 2hgh h LEU 179 N 0.29 0.60 -0.09 3.87 3.38 -1.76 0.18 115.31 121.78 2hgh h LEU 179 Ca 0.16 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2hgh h LEU 179 Cb 0.12 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2hgh h LEU 179 CO -0.15 0.54 -0.05 0.22 0.09 0.00 0.00 178.44 179.09 2hgh h TYR 180 N 0.66 0.23 -0.94 1.13 3.20 -1.25 -1.17 116.97 118.84 2hgh h TYR 180 Ca 0.16 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2hgh h TYR 180 Cb 0.12 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 2hgh h TYR 180 CO 0.01 0.57 0.55 -0.07 -1.64 0.00 0.00 178.16 177.58 2hgh h LEU 181 N -0.17 1.14 -0.48 2.82 3.38 -0.71 0.14 115.31 121.42 2hgh h LEU 181 Ca 0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2hgh h LEU 181 Cb 0.51 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2hgh h LEU 181 CO 0.01 0.88 0.16 0.11 0.09 0.00 0.00 178.44 179.69 2hgh h LYS 182 N 1.30 0.75 -0.71 1.13 1.57 -0.65 -0.72 116.57 119.22 2hgh h LYS 182 Ca 0.33 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2hgh h LYS 182 Cb -0.04 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 2hgh h LYS 182 CO -0.06 0.70 0.38 1.25 -0.57 0.00 0.00 179.45 181.14 2hgh h HIS 183 N 0.65 1.00 -0.40 -1.35 2.76 -0.54 -2.18 115.15 115.09 2hgh h HIS 183 Ca 0.16 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 2hgh h HIS 183 Cb 0.26 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 2hgh h HIS 183 CO 0.01 0.72 0.16 0.28 -1.30 0.00 0.00 177.93 177.80 2hgh h VAL 184 N 0.99 1.20 -0.24 5.26 2.07 -0.51 0.37 116.25 125.39 2hgh h VAL 184 Ca 0.25 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 2hgh h VAL 184 Cb 0.07 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2hgh h VAL 184 CO -0.04 0.22 -0.08 0.00 0.02 0.00 0.00 177.57 177.69 2hgh h ALA 185 N 1.00 1.43 0.00 1.67 0.00 -0.91 0.62 119.26 123.07 2hgh h ALA 185 Ca 0.13 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 2hgh h ALA 185 Cb 0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2hgh h ALA 185 CO -0.01 0.40 -1.48 1.49 0.00 0.00 0.00 179.25 179.65 2hgh h GLU 186 N 0.36 0.00 0.00 0.00 4.81 -1.17 -3.31 114.58 115.27 2hgh h GLU 186 Ca 0.07 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2hgh h GLU 186 Cb 0.37 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 2hgh h GLU 186 CO 0.02 0.41 -1.40 0.00 -0.73 0.00 0.00 179.01 177.31 2hgh n HIS 188 N -1.84 0.00 -4.18 0.00 8.25 0.17 -5.04 115.22 112.58 2hgh n HIS 188 Ca -0.03 -0.19 -0.15 0.00 -0.26 0.00 0.00 57.72 57.10 2hgh n HIS 188 Cb 0.27 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.29 2hgh n HIS 188 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2hgh s GLN 189 N -0.38 1.65 0.00 -0.41 -0.21 -0.93 -4.96 119.66 114.43 2hgh s GLN 189 Ca 0.00 -1.77 0.00 0.00 0.02 0.00 0.00 55.36 53.61 2hgh s GLN 189 Cb 0.00 0.36 0.00 0.00 1.00 0.00 0.00 33.01 34.37 2hgh s GLN 189 CO 0.00 -0.63 0.00 -3.47 -2.12 0.00 0.00 175.29 169.07