#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 0.11 -4.94 117.35 118.10 2hgh s TYR 105 Ca 0.00 -0.60 0.01 0.00 -1.01 0.00 0.00 57.07 55.47 2hgh s TYR 105 Cb 0.00 -2.12 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 2hgh s TYR 105 CO 0.00 -0.37 -0.08 0.08 -1.11 0.00 0.00 175.55 174.08 2hgh s VAL 106 N 1.29 3.61 0.02 0.71 1.01 -1.26 -0.25 120.40 125.53 2hgh s VAL 106 Ca 0.04 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 2hgh s VAL 106 Cb -0.15 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2hgh s VAL 106 CO 0.01 0.59 1.04 0.00 0.00 0.00 0.00 175.10 176.73 2hgh n HIS 108 N 3.88 0.97 -1.49 0.00 8.25 -1.26 -2.59 115.22 122.97 2hgh n HIS 108 Ca 0.07 -1.21 -0.35 0.00 -0.26 0.00 0.00 57.72 55.97 2hgh n HIS 108 Cb 0.50 -0.39 0.09 0.00 1.12 0.00 0.00 29.99 31.31 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 -3.02 2.02 -0.18 4.41 5.36 -1.26 -4.82 117.98 120.48 2hgh s PHE 109 Ca 0.43 1.57 -0.32 0.00 -0.96 0.00 0.00 56.93 57.65 2hgh s PHE 109 Cb 0.37 -3.55 -0.09 0.00 -0.34 0.00 0.00 43.02 39.40 2hgh s PHE 109 CO 0.05 -2.76 2.06 -0.85 -1.46 0.00 0.00 175.22 172.26 2hgh n GLU 110 N -2.52 1.91 -1.16 10.12 0.28 -1.26 -1.30 120.64 126.72 2hgh n GLU 110 Ca 0.14 0.62 -0.05 0.00 -0.16 0.00 0.00 57.16 57.71 2hgh n GLU 110 Cb 0.50 -2.81 -0.02 0.00 1.43 0.00 0.00 31.44 30.54 2hgh n GLU 110 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2hgh n ASN 111 N 8.97 -4.40 0.00 -1.84 5.15 -1.26 -4.94 115.26 116.93 2hgh n ASN 111 Ca 0.29 0.13 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 2hgh n ASN 111 Cb 0.33 -2.38 0.00 0.00 -0.53 0.00 0.00 39.78 37.20 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 2.43 0.70 3.77 0.00 0.00 -1.07 -5.01 105.19 106.00 2hgh n GLY 113 Ca 0.00 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.85 4.12 -0.04 1.61 2.20 -1.25 -4.79 119.74 119.75 2hgh s LYS 114 Ca 0.00 1.84 0.05 0.00 -0.36 0.00 0.00 55.97 57.50 2hgh s LYS 114 Cb 0.00 -2.73 -0.01 0.00 -1.51 0.00 0.00 37.83 33.58 2hgh s LYS 114 CO 0.00 -0.26 -0.21 0.00 -0.36 0.00 0.00 175.35 174.52 2hgh s ALA 115 N -1.40 1.79 0.16 3.13 0.00 -1.26 -0.26 121.76 123.92 2hgh s ALA 115 Ca 0.56 -0.87 0.08 0.00 0.00 0.00 0.00 51.96 51.73 2hgh s ALA 115 Cb -0.31 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 2hgh s ALA 115 CO 0.39 0.36 -0.17 -0.06 0.00 0.00 0.00 175.76 176.28 2hgh s PHE 116 N -0.18 1.71 0.17 0.00 0.40 0.66 -4.97 117.98 115.78 2hgh s PHE 116 Ca -0.00 -0.50 0.04 0.00 -0.60 0.00 0.00 56.93 55.87 2hgh s PHE 116 Cb -0.11 -0.86 0.01 0.00 0.51 0.00 0.00 43.02 42.58 2hgh s PHE 116 CO 0.02 0.29 1.40 1.57 0.70 0.00 0.00 175.22 179.20 2hgh h LYS 117 N 3.22 0.13 -6.22 0.44 2.10 -1.97 0.34 116.57 114.62 2hgh h LYS 117 Ca -0.41 -0.15 -0.59 0.00 -2.00 0.00 0.00 60.65 57.50 2hgh h LYS 117 Cb 1.21 0.04 -0.24 0.00 -0.90 0.00 0.00 32.23 32.33 2hgh h LYS 117 CO 0.52 0.91 -0.84 0.15 -2.00 0.00 0.00 179.45 178.19 2hgh s LYS 118 N -3.19 1.35 0.44 0.07 -0.14 -1.26 -4.60 119.74 112.42 2hgh s LYS 118 Ca -0.02 -1.04 0.17 0.00 -1.36 0.00 0.00 55.97 53.72 2hgh s LYS 118 Cb 0.10 -1.54 1.01 0.00 -1.68 0.00 0.00 37.83 35.73 2hgh s LYS 118 CO 0.82 0.38 1.95 1.12 -0.76 0.00 0.00 175.35 178.86 2hgh h HIS 119 N 4.58 0.00 -0.18 3.18 2.07 -1.92 -1.87 115.15 121.01 2hgh h HIS 119 Ca -0.44 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.03 2hgh h HIS 119 Cb 1.16 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.13 2hgh h HIS 119 CO 0.54 0.23 -0.09 -0.91 -3.07 0.00 0.00 177.93 174.63 2hgh h ASN 120 N 0.00 0.27 -0.07 3.10 2.35 -1.99 0.15 115.58 119.38 2hgh h ASN 120 Ca -0.00 -0.05 -0.18 0.00 -0.55 0.00 0.00 56.30 55.52 2hgh h ASN 120 Cb 0.45 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 2hgh h ASN 120 CO 0.03 0.40 -0.61 1.56 -1.65 0.00 0.00 177.43 177.16 2hgh h GLN 121 N 0.27 0.68 -0.27 0.81 4.20 -1.78 -1.66 115.11 117.36 2hgh h GLN 121 Ca 0.06 -0.46 -0.00 0.00 0.06 0.00 0.00 58.65 58.30 2hgh h GLN 121 Cb 0.34 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2hgh h GLN 121 CO 0.02 1.08 0.16 1.25 -0.67 0.00 0.00 178.83 180.67 2hgh h LEU 122 N 0.51 0.33 -0.70 1.46 5.85 -0.96 0.76 115.31 122.57 2hgh h LEU 122 Ca -0.00 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.71 2hgh h LEU 122 Cb 1.19 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 2hgh h LEU 122 CO 0.12 0.29 0.41 0.11 -0.34 0.00 0.00 178.44 179.03 2hgh h LYS 123 N 0.34 0.74 -0.88 1.25 1.57 -0.72 -0.07 116.57 118.80 2hgh h LYS 123 Ca 0.10 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2hgh h LYS 123 Cb 0.02 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.12 2hgh h LYS 123 CO -0.02 0.49 0.58 0.28 -0.57 0.00 0.00 179.45 180.21 2hgh h VAL 124 N 0.76 1.19 -0.24 0.50 2.07 -0.84 -2.01 116.25 117.68 2hgh h VAL 124 Ca 0.30 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 2hgh h VAL 124 Cb 0.14 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 2hgh h VAL 124 CO -0.16 0.21 -0.15 -0.74 0.02 0.00 0.00 177.57 176.75 2hgh h HIS 125 N 1.16 0.62 -0.56 1.57 -0.00 -0.00 -3.12 115.15 114.81 2hgh h HIS 125 Ca 0.34 -0.16 -0.03 0.00 -0.00 0.00 0.00 60.37 60.52 2hgh h HIS 125 Cb -0.07 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.17 2hgh h HIS 125 CO -0.01 0.82 0.24 1.96 -0.00 0.00 0.00 177.93 180.94 2hgh h GLN 126 N 0.25 0.80 -0.67 5.26 4.20 -0.84 -1.01 115.11 123.10 2hgh h GLN 126 Ca 0.05 -0.11 0.14 0.00 0.06 0.00 0.00 58.65 58.79 2hgh h GLN 126 Cb 0.67 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 2hgh h GLN 126 CO 0.04 0.64 0.45 0.27 -0.67 0.00 0.00 178.83 179.57 2hgh h PHE 127 N 0.80 0.38 -0.38 2.96 -5.15 -1.31 -0.40 116.94 113.83 2hgh h PHE 127 Ca 0.19 0.01 -0.05 0.00 -0.20 0.00 0.00 57.97 57.93 2hgh h PHE 127 Cb 0.12 -0.12 -0.02 0.00 0.22 0.00 0.00 35.95 36.15 2hgh h PHE 127 CO 0.01 0.16 0.04 1.03 -2.00 0.00 0.00 178.31 177.54 2hgh h SER 128 N 0.33 0.55 0.29 -0.68 0.87 -1.19 0.47 113.55 114.19 2hgh h SER 128 Ca 0.32 -0.10 -0.23 0.00 -1.23 0.00 0.00 61.79 60.56 2hgh h SER 128 Cb 0.80 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2hgh h SER 128 CO -0.08 0.59 -0.94 0.45 -0.53 0.00 0.00 176.83 176.32 2hgh h HIS 129 N 0.56 0.66 0.00 2.24 3.86 -1.14 -3.27 115.15 118.06 2hgh h HIS 129 Ca 0.12 -0.36 -0.02 0.00 -1.16 0.00 0.00 60.37 58.96 2hgh h HIS 129 Cb 0.31 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 2hgh h HIS 129 CO 0.01 1.18 -0.16 1.79 0.86 0.00 0.00 177.93 181.60 2hgh h THR 130 N 0.25 0.14 -3.90 2.45 1.35 -0.76 -3.47 112.91 108.97 2hgh h THR 130 Ca -0.08 -1.20 -0.29 0.00 -0.55 0.00 0.00 66.41 64.28 2hgh h THR 130 Cb 1.58 2.03 -0.02 0.00 -1.73 0.00 0.00 68.15 70.01 2hgh h THR 130 CO 0.17 0.08 -0.39 0.00 -0.25 0.00 0.00 175.52 175.12 2hgh n GLN 131 N -3.09 -2.41 -4.60 4.72 1.13 0.16 -4.99 117.38 108.30 2hgh n GLN 131 Ca 0.03 0.67 -0.25 0.00 -1.94 0.00 0.00 57.00 55.51 2hgh n GLN 131 Cb 0.57 -5.31 -0.14 0.00 0.11 0.00 0.00 30.24 25.47 2hgh n GLN 131 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 2hgh s GLN 132 N -5.17 1.36 -0.11 -1.09 1.03 -1.22 -5.07 119.66 109.39 2hgh s GLN 132 Ca 0.06 -0.97 -0.18 0.00 0.04 0.00 0.00 55.36 54.31 2hgh s GLN 132 Cb -0.03 -1.49 -0.04 0.00 0.03 0.00 0.00 33.01 31.47 2hgh s GLN 132 CO 0.07 0.38 0.47 -0.51 -2.54 0.00 0.00 175.29 173.16 2hgh s LEU 133 N -1.27 4.29 0.11 2.60 1.43 -1.26 -4.69 118.68 119.89 2hgh s LEU 133 Ca 0.07 0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 53.95 2hgh s LEU 133 Cb -0.09 -2.68 -0.16 0.00 0.03 0.00 0.00 46.19 43.29 2hgh s LEU 133 CO 0.02 0.03 1.25 1.55 0.23 0.00 0.00 176.35 179.43 2hgh h PRO 134 N 6.55 0.38 -4.07 1.29 0.13 -1.87 -3.42 132.00 130.98 2hgh h PRO 134 Ca -0.42 -0.47 -0.77 0.00 -0.87 0.00 0.00 66.00 63.48 2hgh h PRO 134 Cb 1.18 0.15 -0.24 0.00 0.13 0.00 0.00 31.00 32.22 2hgh h PRO 134 CO 0.74 1.15 0.19 0.71 -0.23 0.00 0.00 178.00 180.56 2hgh s TYR 135 N -3.07 3.59 0.00 1.56 2.02 -1.11 -4.99 117.35 115.35 2hgh s TYR 135 Ca -0.05 -1.80 -0.12 0.00 -0.37 0.00 0.00 57.07 54.73 2hgh s TYR 135 Cb 0.08 -3.90 -0.05 0.00 -0.40 0.00 0.00 41.96 37.69 2hgh s TYR 135 CO 0.87 -1.08 0.36 -1.21 -1.57 0.00 0.00 175.55 172.92 2hgh s GLU 136 N 0.78 3.78 -0.14 -0.62 2.02 -1.26 -0.14 118.70 123.12 2hgh s GLU 136 Ca 0.19 0.24 -0.29 0.00 0.02 0.00 0.00 54.97 55.12 2hgh s GLU 136 Cb -0.12 -3.15 -0.02 0.00 0.10 0.00 0.00 34.13 30.94 2hgh s GLU 136 CO -0.07 0.67 1.33 0.00 0.02 0.00 0.00 175.26 177.20 2hgh n PRO 138 N 6.66 2.00 -2.47 0.00 -0.04 -1.26 -4.57 135.00 135.31 2hgh n PRO 138 Ca 0.14 -1.51 -0.36 0.00 -0.04 0.00 0.00 63.50 61.73 2hgh n PRO 138 Cb 0.44 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 2hgh n PRO 138 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2hgh s HIS 139 N -1.63 3.07 0.11 0.54 3.76 -1.26 -4.97 115.29 114.91 2hgh s HIS 139 Ca 0.33 1.60 -0.31 0.00 -0.15 0.00 0.00 55.06 56.53 2hgh s HIS 139 Cb 0.18 -3.16 -0.09 0.00 1.11 0.00 0.00 32.58 30.62 2hgh s HIS 139 CO 0.26 -0.92 1.64 -1.21 -0.85 0.00 0.00 174.74 173.66 2hgh s GLU 140 N -2.83 4.20 0.00 1.40 2.02 -1.26 -2.24 118.70 119.99 2hgh s GLU 140 Ca 0.63 2.37 0.00 0.00 0.02 0.00 0.00 54.97 57.99 2hgh s GLU 140 Cb -0.21 -3.44 0.00 0.00 0.10 0.00 0.00 34.13 30.58 2hgh s GLU 140 CO 0.26 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 175.25 2hgh n GLY 141 N 3.93 0.79 3.54 -1.39 0.00 -1.26 -5.05 105.19 105.74 2hgh n GLY 141 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 0.31 0.00 -4.76 0.00 2.03 -1.26 -4.73 116.55 108.15 2hgh n ASP 143 Ca -0.12 -1.59 -0.38 0.00 0.52 0.00 0.00 54.79 53.22 2hgh n ASP 143 Cb 0.54 -0.12 0.03 0.00 -0.72 0.00 0.00 41.12 40.85 2hgh n ASP 143 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2hgh s LYS 144 N 0.00 3.30 0.04 -0.67 2.47 -1.26 -4.84 119.74 118.77 2hgh s LYS 144 Ca 0.00 2.04 0.02 0.00 -1.56 0.00 0.00 55.97 56.47 2hgh s LYS 144 Cb 0.00 -2.26 -0.02 0.00 -1.46 0.00 0.00 37.83 34.09 2hgh s LYS 144 CO 0.00 -1.00 -0.06 1.03 0.16 0.00 0.00 175.35 175.47 2hgh s ARG 145 N -2.90 0.47 0.10 4.03 0.52 -1.26 -0.49 118.95 119.42 2hgh s ARG 145 Ca 0.70 -0.71 0.03 0.00 -0.52 0.00 0.00 55.73 55.23 2hgh s ARG 145 Cb -0.35 -0.18 -0.04 0.00 0.52 0.00 0.00 34.95 34.89 2hgh s ARG 145 CO 0.42 0.02 -0.09 -0.06 0.02 0.00 0.00 175.30 175.62 2hgh s PHE 146 N -1.39 1.01 -0.06 -0.53 0.08 0.80 -4.99 117.98 112.90 2hgh s PHE 146 Ca -0.11 -0.77 0.13 0.00 0.12 0.00 0.00 56.93 56.29 2hgh s PHE 146 Cb -0.10 -0.55 -0.10 0.00 -0.57 0.00 0.00 43.02 41.70 2hgh s PHE 146 CO 0.00 -0.05 1.14 0.66 -0.10 0.00 0.00 175.22 176.88 2hgh h SER 147 N 3.23 0.00 -4.21 1.36 4.64 -1.96 -2.95 113.55 113.65 2hgh h SER 147 Ca -0.36 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.63 2hgh h SER 147 Cb 1.18 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.10 2hgh h SER 147 CO 0.59 0.72 -0.73 -0.76 -0.87 0.00 0.00 176.83 175.78 2hgh s LEU 148 N -6.31 2.45 0.43 5.97 2.01 -1.26 -4.80 118.68 117.17 2hgh s LEU 148 Ca 0.00 -0.88 0.19 0.00 0.01 0.00 0.00 54.13 53.45 2hgh s LEU 148 Cb 0.09 -0.34 0.99 0.00 0.01 0.00 0.00 46.19 46.94 2hgh s LEU 148 CO 0.79 -0.28 1.91 1.55 1.01 0.00 0.00 176.35 181.34 2hgh h PRO 149 N 3.28 0.00 -0.62 1.29 0.13 -1.96 -2.70 132.00 131.42 2hgh h PRO 149 Ca -0.37 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.74 2hgh h PRO 149 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2hgh h PRO 149 CO 0.56 0.26 0.32 0.66 -0.23 0.00 0.00 178.00 179.58 2hgh h SER 150 N 0.00 0.79 -0.46 1.44 4.64 -1.98 0.14 113.55 118.11 2hgh h SER 150 Ca -0.00 -0.11 -0.12 0.00 -0.47 0.00 0.00 61.79 61.09 2hgh h SER 150 Cb 0.55 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2hgh h SER 150 CO 0.03 0.67 -0.19 0.03 -0.87 0.00 0.00 176.83 176.51 2hgh h ARG 151 N 0.85 0.97 -0.16 4.77 -0.00 -1.91 -1.53 114.38 117.36 2hgh h ARG 151 Ca 0.22 -0.39 -0.03 0.00 -0.50 0.00 0.00 59.98 59.27 2hgh h ARG 151 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 29.99 2hgh h ARG 151 CO -0.03 1.06 -0.03 1.25 0.00 0.00 0.00 179.97 182.23 2hgh h LEU 152 N 0.84 0.30 -1.28 3.04 5.85 -1.30 -0.66 115.31 122.11 2hgh h LEU 152 Ca 0.12 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.52 2hgh h LEU 152 Cb 0.75 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 2hgh h LEU 152 CO 0.06 0.58 0.50 0.11 -0.34 0.00 0.00 178.44 179.35 2hgh h LYS 153 N 0.02 0.92 -0.16 1.25 1.57 -0.63 -0.08 116.57 119.45 2hgh h LYS 153 Ca 0.04 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 2hgh h LYS 153 Cb 0.44 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2hgh h LYS 153 CO 0.01 0.61 -0.66 -0.09 -0.57 0.00 0.00 179.45 178.75 2hgh h ARG 154 N 0.95 0.63 -0.32 3.15 2.43 -1.20 -3.14 114.38 116.87 2hgh h ARG 154 Ca 0.30 -0.46 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 2hgh h ARG 154 Cb 0.03 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2hgh h ARG 154 CO -0.09 1.08 0.04 1.25 -1.51 0.00 0.00 179.97 180.74 2hgh h HIS 155 N 0.46 0.49 -0.17 2.20 2.76 -0.01 -2.20 115.15 118.67 2hgh h HIS 155 Ca -0.02 -0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.16 2hgh h HIS 155 Cb 1.25 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 2hgh h HIS 155 CO 0.06 0.46 0.12 0.93 -1.30 0.00 0.00 177.93 178.20 2hgh h GLU 156 N 0.47 0.04 -0.04 5.26 5.08 -1.00 -0.33 114.58 124.06 2hgh h GLU 156 Ca 0.11 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2hgh h GLU 156 Cb 0.25 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2hgh h GLU 156 CO 0.00 0.03 0.04 -0.22 -1.00 0.00 0.00 179.01 177.86 2hgh h LYS 157 N 0.04 0.00 -0.67 2.33 3.64 -1.48 -0.78 116.57 119.65 2hgh h LYS 157 Ca 0.08 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2hgh h LYS 157 Cb 0.26 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2hgh h LYS 157 CO -0.00 0.00 0.36 0.28 -2.27 0.00 0.00 179.45 177.81 2hgh h VAL 158 N 0.00 1.21 0.00 2.00 2.07 -1.19 -0.14 116.25 120.20 2hgh h VAL 158 Ca 0.02 -0.56 -0.15 0.00 0.82 0.00 0.00 66.70 66.84 2hgh h VAL 158 Cb 0.09 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2hgh h VAL 158 CO -0.00 0.24 -0.69 0.45 0.02 0.00 0.00 177.57 177.59 2hgh h HIS 159 N 0.93 0.00 0.00 1.57 3.86 -1.31 -3.02 115.15 117.18 2hgh h HIS 159 Ca 0.24 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.34 2hgh h HIS 159 Cb 0.06 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 2hgh h HIS 159 CO -0.00 0.69 -0.49 0.00 0.86 0.00 0.00 177.93 178.99 2hgh h ALA 160 N 1.31 1.09 0.00 2.45 0.00 -0.97 -3.50 119.26 119.64 2hgh h ALA 160 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2hgh h ALA 160 Cb 1.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2hgh h ALA 160 CO 0.09 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.36 2hgh n GLY 161 N 0.04 -0.68 2.88 0.00 0.00 -0.10 -4.90 105.19 102.43 2hgh n GLY 161 Ca -0.01 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.66 2.85 0.22 1.61 1.51 0.37 -4.87 117.35 117.39 2hgh s TYR 162 Ca 0.00 -2.73 -0.29 0.00 -1.01 0.00 0.00 57.07 53.05 2hgh s TYR 162 Cb 0.00 -2.47 -0.09 0.00 -0.11 0.00 0.00 41.96 39.30 2hgh s TYR 162 CO 0.00 -0.84 0.90 -1.25 -1.11 0.00 0.00 175.55 173.26 2hgh s PRO 163 N 0.52 4.79 0.34 -1.71 0.04 -1.26 -0.76 135.00 136.97 2hgh s PRO 163 Ca 0.14 1.42 -0.27 0.00 0.04 0.00 0.00 61.00 62.32 2hgh s PRO 163 Cb -0.22 -3.28 -0.09 0.00 0.04 0.00 0.00 34.50 30.95 2hgh s PRO 163 CO -0.06 0.53 1.18 0.00 0.04 0.00 0.00 177.00 178.69 2hgh n LYS 165 N 0.62 0.00 0.27 0.00 4.81 -1.26 -4.75 118.16 117.85 2hgh n LYS 165 Ca 0.01 -0.53 0.14 0.00 -0.87 0.00 0.00 58.31 57.07 2hgh n LYS 165 Cb 0.45 -0.43 0.72 0.00 0.02 0.00 0.00 35.03 35.79 2hgh n LYS 165 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2hgh h LYS 166 N 0.00 0.00 -3.00 1.64 1.79 -1.98 -3.43 116.57 111.59 2hgh h LYS 166 Ca 0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 2hgh h LYS 166 Cb 1.08 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.51 2hgh h LYS 166 CO 0.00 0.10 -0.31 0.34 -1.08 0.00 0.00 179.45 178.50 2hgh s ASP 167 N -5.93 -0.26 0.47 0.86 -1.08 -1.26 -5.05 116.67 104.41 2hgh s ASP 167 Ca -0.01 0.36 0.19 0.00 -0.52 0.00 0.00 52.55 52.57 2hgh s ASP 167 Cb 0.11 0.49 1.15 0.00 -1.46 0.00 0.00 42.92 43.21 2hgh s ASP 167 CO 0.57 -0.28 2.01 -0.78 0.52 0.00 0.00 175.17 177.21 2hgh h ASP 168 N 4.75 0.00 -0.46 -0.34 3.58 -1.96 -2.40 116.42 119.59 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 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2hgh h ASP 168 CO 0.35 0.18 0.00 -1.54 -2.88 0.00 0.00 179.24 175.35 2hgh n SER 169 N -4.06 3.29 -4.94 2.28 3.41 -1.26 -4.89 113.62 107.45 2hgh n SER 169 Ca -0.02 -2.25 -0.24 0.00 -0.26 0.00 0.00 58.87 56.09 2hgh n SER 169 Cb 0.25 -0.45 -0.02 0.00 -0.26 0.00 0.00 64.21 63.73 2hgh n SER 169 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hgh n SER 171 N -1.28 0.00 -4.77 0.00 3.41 -1.26 -4.96 113.62 104.75 2hgh n SER 171 Ca -0.06 -1.00 -0.40 0.00 -0.26 0.00 0.00 58.87 57.15 2hgh n SER 171 Cb 0.56 0.00 -0.01 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 2.86 -0.11 7.33 2.19 -1.26 -4.84 117.98 124.15 2hgh s PHE 172 Ca 0.00 1.37 0.00 0.00 0.33 0.00 0.00 56.93 58.63 2hgh s PHE 172 Cb 0.00 -3.73 0.02 0.00 -1.31 0.00 0.00 43.02 38.00 2hgh s PHE 172 CO 0.00 -2.16 -0.10 0.08 1.83 0.00 0.00 175.22 174.87 2hgh s VAL 173 N -1.19 1.17 0.03 3.12 1.01 -1.26 -0.61 120.40 122.67 2hgh s VAL 173 Ca 0.53 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 2hgh s VAL 173 Cb -0.40 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2hgh s VAL 173 CO 0.53 0.39 0.75 -0.83 0.00 0.00 0.00 175.10 175.94 2hgh s GLY 174 N 1.43 2.77 0.36 4.51 0.00 0.06 -4.79 107.32 111.66 2hgh s GLY 174 Ca 0.01 0.26 0.27 0.00 0.00 0.00 0.00 44.72 45.26 2hgh s GLY 174 CO -0.06 1.09 1.81 1.70 0.00 0.00 0.00 173.10 177.64 2hgh h LYS 175 N 5.77 0.00 -3.61 2.90 1.63 -1.89 0.11 116.57 121.48 2hgh h LYS 175 Ca -0.44 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.30 2hgh h LYS 175 Cb 1.20 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.71 2hgh h LYS 175 CO 0.71 0.00 -0.18 0.95 -3.45 0.00 0.00 179.45 177.48 2hgh s THR 176 N -3.49 0.07 0.24 1.00 -4.23 -1.26 -4.67 115.64 103.30 2hgh s THR 176 Ca 0.02 -1.01 -0.06 0.00 -1.18 0.00 0.00 61.69 59.46 2hgh s THR 176 Cb 0.09 -1.54 0.22 0.00 1.34 0.00 0.00 72.50 72.61 2hgh s THR 176 CO 0.40 -0.31 1.86 -0.25 -0.54 0.00 0.00 174.62 175.78 2hgh h TRP 177 N 2.45 1.03 -0.39 3.99 -0.00 -1.94 -2.23 115.95 118.86 2hgh h TRP 177 Ca -0.32 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.64 2hgh h TRP 177 Cb 1.24 -0.33 -0.04 0.00 -0.00 0.00 0.00 29.16 30.02 2hgh h TRP 177 CO 0.37 0.55 0.15 1.79 -0.00 0.00 0.00 178.44 181.30 2hgh h THR 178 N 1.03 0.91 -0.53 2.65 1.35 -1.98 -1.21 112.91 115.13 2hgh h THR 178 Ca 0.37 -0.11 -0.02 0.00 -0.55 0.00 0.00 66.41 66.10 2hgh h THR 178 Cb 0.12 0.56 -0.03 0.00 -1.73 0.00 0.00 68.15 67.07 2hgh h THR 178 CO -0.15 0.06 0.24 -0.07 -0.25 0.00 0.00 175.52 175.34 2hgh h LEU 179 N 0.32 0.68 -0.09 3.87 3.38 -1.80 0.14 115.31 121.81 2hgh h LEU 179 Ca 0.17 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2hgh h LEU 179 Cb 0.13 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2hgh h LEU 179 CO -0.16 0.59 -0.07 0.22 0.09 0.00 0.00 178.44 179.12 2hgh h TYR 180 N 0.75 0.23 -0.94 1.13 3.20 -1.20 -0.97 116.97 119.17 2hgh h TYR 180 Ca 0.19 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.01 2hgh h TYR 180 Cb 0.11 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 2hgh h TYR 180 CO 0.01 0.60 0.62 -0.07 -1.64 0.00 0.00 178.16 177.68 2hgh h LEU 181 N -0.21 1.07 -0.48 2.82 3.38 -0.79 0.16 115.31 121.26 2hgh h LEU 181 Ca 0.02 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2hgh h LEU 181 Cb 0.55 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2hgh h LEU 181 CO 0.02 0.77 0.02 0.11 0.09 0.00 0.00 178.44 179.44 2hgh h LYS 182 N 1.26 0.83 -0.71 1.13 1.79 -0.73 -0.20 116.57 119.94 2hgh h LYS 182 Ca 0.35 -0.26 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 2hgh h LYS 182 Cb -0.12 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.42 2hgh h LYS 182 CO -0.08 0.87 0.37 1.25 -1.08 0.00 0.00 179.45 180.78 2hgh h HIS 183 N 0.69 0.99 -0.41 -1.35 2.76 -0.53 -1.82 115.15 115.48 2hgh h HIS 183 Ca 0.14 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 2hgh h HIS 183 Cb 0.48 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 2hgh h HIS 183 CO 0.04 0.71 0.18 0.28 -1.30 0.00 0.00 177.93 177.84 2hgh h VAL 184 N 0.98 1.19 -0.55 5.26 2.07 -0.51 -0.06 116.25 124.62 2hgh h VAL 184 Ca 0.25 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 2hgh h VAL 184 Cb 0.07 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2hgh h VAL 184 CO -0.04 0.21 0.19 0.00 0.02 0.00 0.00 177.57 177.95 2hgh h ALA 185 N 1.02 1.30 0.00 1.67 0.00 -0.74 0.75 119.26 123.26 2hgh h ALA 185 Ca 0.14 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2hgh h ALA 185 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2hgh h ALA 185 CO -0.01 0.51 -1.12 0.93 0.00 0.00 0.00 179.25 179.56 2hgh h GLU 186 N 0.79 0.00 0.00 0.00 4.39 -1.14 -3.16 114.58 115.47 2hgh h GLU 186 Ca 0.18 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 2hgh h GLU 186 Cb 0.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2hgh h GLU 186 CO -0.01 0.14 -1.16 0.00 -1.16 0.00 0.00 179.01 176.82 2hgh n HIS 188 N -1.69 0.00 -1.52 0.00 8.25 0.20 -4.76 115.22 115.69 2hgh n HIS 188 Ca -0.01 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2hgh n HIS 188 Cb 0.17 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.27 2hgh n HIS 188 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2hgh n GLN 189 N -0.14 0.07 0.00 -0.41 6.02 -0.84 -4.97 117.38 117.11 2hgh n GLN 189 Ca 0.00 -0.82 0.00 0.00 -0.01 0.00 0.00 57.00 56.17 2hgh n GLN 189 Cb 0.31 -0.53 0.00 0.00 1.02 0.00 0.00 30.24 31.05 2hgh n GLN 189 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58