#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 -0.04 -4.94 117.35 117.95 2hgh s TYR 105 Ca 0.00 -0.57 0.01 0.00 -1.01 0.00 0.00 57.07 55.50 2hgh s TYR 105 Cb 0.00 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 2hgh s TYR 105 CO 0.00 -0.33 -0.08 0.08 -1.11 0.00 0.00 175.55 174.11 2hgh s VAL 106 N 1.18 3.59 -0.00 0.71 1.01 -1.26 -0.27 120.40 125.34 2hgh s VAL 106 Ca 0.03 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 2hgh s VAL 106 Cb -0.14 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 2hgh s VAL 106 CO 0.01 0.59 1.06 0.00 0.00 0.00 0.00 175.10 176.76 2hgh n HIS 108 N 4.18 1.15 -1.28 0.00 8.25 -1.26 -2.51 115.22 123.74 2hgh n HIS 108 Ca 0.08 -1.26 -0.34 0.00 -0.26 0.00 0.00 57.72 55.94 2hgh n HIS 108 Cb 0.49 -0.44 0.11 0.00 1.12 0.00 0.00 29.99 31.28 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 -3.05 1.94 -0.18 4.41 2.19 -1.26 -4.83 117.98 117.21 2hgh s PHE 109 Ca 0.44 1.63 -0.32 0.00 0.33 0.00 0.00 56.93 59.01 2hgh s PHE 109 Cb 0.38 -3.47 -0.09 0.00 -1.31 0.00 0.00 43.02 38.53 2hgh s PHE 109 CO 0.05 -2.71 2.07 0.39 1.83 0.00 0.00 175.22 176.85 2hgh n GLU 110 N -3.01 1.92 -1.16 10.12 -0.58 -1.26 -1.43 120.64 125.25 2hgh n GLU 110 Ca 0.13 0.62 -0.05 0.00 -0.42 0.00 0.00 57.16 57.44 2hgh n GLU 110 Cb 0.50 -2.82 -0.02 0.00 -0.57 0.00 0.00 31.44 28.53 2hgh n GLU 110 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2hgh n ASN 111 N 9.02 -4.42 0.00 1.62 5.15 -1.26 -4.94 115.26 120.44 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 0.34 -2.39 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 2.44 0.68 3.77 0.00 0.00 -1.04 -5.00 105.19 106.03 2hgh n GLY 113 Ca 0.00 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.81 4.17 -0.04 1.61 2.20 -1.25 -4.77 119.74 119.85 2hgh s LYS 114 Ca 0.00 1.94 0.06 0.00 -0.36 0.00 0.00 55.97 57.61 2hgh s LYS 114 Cb 0.00 -2.82 -0.01 0.00 -1.51 0.00 0.00 37.83 33.49 2hgh s LYS 114 CO 0.00 -0.25 -0.23 0.00 -0.36 0.00 0.00 175.35 174.51 2hgh s ALA 115 N -1.31 2.00 0.17 3.13 0.00 -1.26 -0.25 121.76 124.24 2hgh s ALA 115 Ca 0.54 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.59 2hgh s ALA 115 Cb -0.33 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 2hgh s ALA 115 CO 0.43 0.42 -0.16 -0.06 0.00 0.00 0.00 175.76 176.38 2hgh s PHE 116 N -0.27 1.73 0.16 0.00 0.40 0.63 -4.98 117.98 115.65 2hgh s PHE 116 Ca 0.01 -0.51 -0.14 0.00 -0.60 0.00 0.00 56.93 55.68 2hgh s PHE 116 Cb -0.12 -0.85 0.04 0.00 0.51 0.00 0.00 43.02 42.61 2hgh s PHE 116 CO 0.02 0.32 1.78 -0.22 0.70 0.00 0.00 175.22 177.82 2hgh h LYS 117 N 3.05 0.68 -4.34 0.44 3.64 -1.97 -0.06 116.57 118.02 2hgh h LYS 117 Ca -0.40 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 58.70 2hgh h LYS 117 Cb 1.21 -0.14 -0.19 0.00 -0.41 0.00 0.00 32.23 32.71 2hgh h LYS 117 CO 0.55 0.52 -0.71 0.15 -2.27 0.00 0.00 179.45 177.69 2hgh s LYS 118 N -5.91 0.53 0.47 1.90 1.02 -1.26 -4.30 119.74 112.19 2hgh s LYS 118 Ca -0.13 -0.91 0.18 0.00 0.02 0.00 0.00 55.97 55.13 2hgh s LYS 118 Cb 0.12 -0.05 1.13 0.00 -0.52 0.00 0.00 37.83 38.50 2hgh s LYS 118 CO 0.75 -0.02 2.02 1.12 -0.92 0.00 0.00 175.35 178.30 2hgh h HIS 119 N 4.00 0.00 -0.53 3.18 2.07 -1.92 -1.72 115.15 120.24 2hgh h HIS 119 Ca -0.34 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.13 2hgh h HIS 119 Cb 1.19 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.14 2hgh h HIS 119 CO 0.62 0.16 0.11 -0.91 -3.07 0.00 0.00 177.93 174.84 2hgh h ASN 120 N 0.00 0.76 0.18 3.10 2.35 -1.99 0.14 115.58 120.13 2hgh h ASN 120 Ca -0.00 -0.14 -0.18 0.00 -0.55 0.00 0.00 56.30 55.42 2hgh h ASN 120 Cb 0.31 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 2hgh h ASN 120 CO 0.02 0.76 -0.70 1.56 -1.65 0.00 0.00 177.43 177.42 2hgh h GLN 121 N 0.79 0.46 -0.24 0.81 4.20 -1.76 -1.36 115.11 118.00 2hgh h GLN 121 Ca 0.17 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 2hgh h GLN 121 Cb 0.31 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2hgh h GLN 121 CO 0.00 0.99 0.12 1.25 -0.67 0.00 0.00 178.83 180.52 2hgh h LEU 122 N 0.32 0.32 -1.04 1.46 5.85 -0.95 -0.46 115.31 120.81 2hgh h LEU 122 Ca -0.03 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2hgh h LEU 122 Cb 1.27 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2hgh h LEU 122 CO 0.12 0.34 0.37 0.11 -0.34 0.00 0.00 178.44 179.04 2hgh h LYS 123 N 0.27 1.05 -0.90 1.25 1.57 -0.71 -1.11 116.57 117.99 2hgh h LYS 123 Ca 0.08 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2hgh h LYS 123 Cb 0.11 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 2hgh h LYS 123 CO -0.01 0.80 0.59 0.28 -0.57 0.00 0.00 179.45 180.54 2hgh h VAL 124 N 1.04 1.23 -0.24 0.50 2.07 -0.91 -1.99 116.25 117.96 2hgh h VAL 124 Ca 0.26 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 2hgh h VAL 124 Cb 0.09 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 2hgh h VAL 124 CO -0.04 0.22 -0.13 -0.74 0.02 0.00 0.00 177.57 176.91 2hgh h HIS 125 N 1.21 0.59 -0.11 1.57 -0.00 -0.34 -3.18 115.15 114.89 2hgh h HIS 125 Ca 0.33 -0.15 -0.06 0.00 -0.00 0.00 0.00 60.37 60.49 2hgh h HIS 125 Cb -0.14 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.12 2hgh h HIS 125 CO -0.01 0.78 -0.21 1.96 -0.00 0.00 0.00 177.93 180.45 2hgh h GLN 126 N 0.23 0.19 -0.45 5.26 4.20 -1.04 -1.42 115.11 122.08 2hgh h GLN 126 Ca 0.05 -0.05 0.13 0.00 0.06 0.00 0.00 58.65 58.84 2hgh h GLN 126 Cb 0.64 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 2hgh h GLN 126 CO 0.04 0.40 0.35 0.27 -0.67 0.00 0.00 178.83 179.22 2hgh h PHE 127 N 0.18 0.00 -0.17 2.96 -5.15 -1.34 -0.63 116.94 112.79 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 0.48 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.65 2hgh h PHE 127 CO 0.01 0.00 -0.06 1.03 -2.00 0.00 0.00 178.31 177.28 2hgh h SER 128 N 0.00 0.35 -0.39 -0.68 0.87 -1.34 0.26 113.55 112.62 2hgh h SER 128 Ca 0.21 -0.39 -0.06 0.00 -1.23 0.00 0.00 61.79 60.32 2hgh h SER 128 Cb 0.91 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 2hgh h SER 128 CO -0.00 0.66 0.04 0.45 -0.53 0.00 0.00 176.83 177.45 2hgh h HIS 129 N 0.03 0.77 0.00 2.24 3.86 -1.23 -2.43 115.15 118.40 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 0.52 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.77 2hgh h HIS 129 CO 0.06 0.70 -0.20 1.79 0.86 0.00 0.00 177.93 181.14 2hgh h THR 130 N 0.70 0.00 -3.67 2.45 1.35 -1.16 -3.48 112.91 109.11 2hgh h THR 130 Ca 0.15 -0.85 -0.34 0.00 -0.55 0.00 0.00 66.41 64.82 2hgh h THR 130 Cb 0.37 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.52 2hgh h THR 130 CO 0.01 0.00 -0.44 1.67 -0.25 0.00 0.00 175.52 176.51 2hgh n GLN 131 N -2.78 -2.33 -4.27 4.72 -0.06 0.90 -5.00 117.38 108.56 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 0.50 -5.44 -0.11 0.00 -4.06 0.00 0.00 30.24 21.14 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 -5.16 1.10 -0.15 3.69 1.03 -1.06 -5.04 119.66 114.08 2hgh s GLN 132 Ca 0.05 -1.34 -0.13 0.00 0.04 0.00 0.00 55.36 53.98 2hgh s GLN 132 Cb -0.03 -0.93 -0.05 0.00 0.03 0.00 0.00 33.01 32.03 2hgh s GLN 132 CO 0.06 0.17 0.28 -0.51 -2.54 0.00 0.00 175.29 172.76 2hgh s LEU 133 N -2.72 4.27 0.07 2.60 1.43 -1.26 -4.61 118.68 118.46 2hgh s LEU 133 Ca 0.13 0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 53.66 2hgh s LEU 133 Cb -0.03 -2.35 -0.27 0.00 0.03 0.00 0.00 46.19 43.56 2hgh s LEU 133 CO 0.04 0.14 1.13 1.55 0.23 0.00 0.00 176.35 179.43 2hgh h PRO 134 N 6.44 0.41 -4.26 1.29 0.13 -1.89 -3.43 132.00 130.69 2hgh h PRO 134 Ca -0.43 -0.62 -0.75 0.00 -0.87 0.00 0.00 66.00 63.33 2hgh h PRO 134 Cb 1.17 0.22 -0.23 0.00 0.13 0.00 0.00 31.00 32.29 2hgh h PRO 134 CO 0.74 1.28 0.24 0.71 -0.23 0.00 0.00 178.00 180.73 2hgh s TYR 135 N -2.79 3.45 -0.03 1.56 2.02 -1.09 -4.97 117.35 115.50 2hgh s TYR 135 Ca -0.06 -1.63 -0.12 0.00 -0.37 0.00 0.00 57.07 54.88 2hgh s TYR 135 Cb 0.06 -3.95 -0.05 0.00 -0.40 0.00 0.00 41.96 37.62 2hgh s TYR 135 CO 0.90 -1.15 0.33 -2.00 -1.57 0.00 0.00 175.55 172.06 2hgh s GLU 136 N 1.27 3.78 -0.15 -0.62 2.12 -1.26 -0.04 118.70 123.79 2hgh s GLU 136 Ca 0.19 0.25 -0.29 0.00 0.36 0.00 0.00 54.97 55.48 2hgh s GLU 136 Cb -0.13 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 2hgh s GLU 136 CO -0.06 0.71 1.33 0.00 -0.54 0.00 0.00 175.26 176.70 2hgh n PRO 138 N 6.72 1.74 -2.02 0.00 -0.04 -1.26 -4.52 135.00 135.61 2hgh n PRO 138 Ca 0.14 -1.11 -0.37 0.00 -0.04 0.00 0.00 63.50 62.12 2hgh n PRO 138 Cb 0.45 -1.37 0.02 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.75 2.54 -0.07 0.54 2.46 -1.26 -4.93 115.29 112.83 2hgh s HIS 139 Ca 0.31 1.46 -0.30 0.00 0.47 0.00 0.00 55.06 57.01 2hgh s HIS 139 Cb 0.16 -3.57 -0.06 0.00 -0.13 0.00 0.00 32.58 28.99 2hgh s HIS 139 CO 0.24 -2.21 1.73 -1.21 -2.47 0.00 0.00 174.74 170.83 2hgh s GLU 140 N -2.90 4.07 0.00 2.88 2.02 -1.26 -2.07 118.70 121.44 2hgh s GLU 140 Ca 0.69 2.18 0.00 0.00 0.02 0.00 0.00 54.97 57.87 2hgh s GLU 140 Cb -0.34 -4.04 0.00 0.00 0.10 0.00 0.00 34.13 29.85 2hgh s GLU 140 CO 0.40 -0.99 0.00 0.41 0.02 0.00 0.00 175.26 175.10 2hgh n GLY 141 N 4.36 0.68 3.66 -1.39 0.00 -1.26 -5.07 105.19 106.16 2hgh n GLY 141 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.02 0.00 -4.76 0.00 5.75 -1.26 -4.74 116.55 111.52 2hgh n ASP 143 Ca -0.10 -1.25 -0.38 0.00 -0.01 0.00 0.00 54.79 53.05 2hgh n ASP 143 Cb 0.55 -0.05 0.01 0.00 -1.03 0.00 0.00 41.12 40.60 2hgh n ASP 143 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2hgh s LYS 144 N 0.00 3.60 0.07 0.11 -0.14 -1.26 -4.86 119.74 117.26 2hgh s LYS 144 Ca 0.00 2.06 0.04 0.00 -1.36 0.00 0.00 55.97 56.70 2hgh s LYS 144 Cb 0.00 -2.46 -0.03 0.00 -1.68 0.00 0.00 37.83 33.66 2hgh s LYS 144 CO 0.00 -0.76 -0.10 1.03 -0.76 0.00 0.00 175.35 174.75 2hgh s ARG 145 N -2.64 0.72 0.13 1.68 0.52 -1.26 -0.72 118.95 117.37 2hgh s ARG 145 Ca 0.64 -0.95 0.03 0.00 -0.52 0.00 0.00 55.73 54.94 2hgh s ARG 145 Cb -0.36 -0.53 -0.04 0.00 0.52 0.00 0.00 34.95 34.54 2hgh s ARG 145 CO 0.44 0.10 -0.07 -0.06 0.02 0.00 0.00 175.30 175.72 2hgh s PHE 146 N -1.70 1.07 -0.25 -0.53 0.08 0.94 -4.98 117.98 112.61 2hgh s PHE 146 Ca -0.03 -0.87 0.20 0.00 0.12 0.00 0.00 56.93 56.36 2hgh s PHE 146 Cb -0.08 -0.59 0.08 0.00 -0.57 0.00 0.00 43.02 41.87 2hgh s PHE 146 CO 0.01 -0.07 1.25 0.66 -0.10 0.00 0.00 175.22 176.97 2hgh h SER 147 N 2.86 0.00 -4.94 1.36 4.64 -1.96 -2.88 113.55 112.63 2hgh h SER 147 Ca -0.36 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.77 2hgh h SER 147 Cb 1.18 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.08 2hgh h SER 147 CO 0.64 0.23 -0.70 -0.76 -0.87 0.00 0.00 176.83 175.37 2hgh s LEU 148 N -5.93 2.34 0.37 5.97 1.43 -1.26 -4.81 118.68 116.78 2hgh s LEU 148 Ca 0.02 -0.69 0.11 0.00 -1.03 0.00 0.00 54.13 52.54 2hgh s LEU 148 Cb 0.08 0.04 0.70 0.00 0.03 0.00 0.00 46.19 47.03 2hgh s LEU 148 CO 0.75 -0.37 1.83 1.55 0.23 0.00 0.00 176.35 180.34 2hgh h PRO 149 N 4.05 0.06 -0.68 1.29 0.13 -1.96 -2.11 132.00 132.78 2hgh h PRO 149 Ca -0.34 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.71 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 0.50 0.40 0.19 0.66 -0.23 0.00 0.00 178.00 179.52 2hgh h SER 150 N 0.05 0.99 0.03 1.44 4.64 -1.98 0.14 113.55 118.85 2hgh h SER 150 Ca 0.01 -0.19 -0.20 0.00 -0.47 0.00 0.00 61.79 60.94 2hgh h SER 150 Cb 0.63 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2hgh h SER 150 CO 0.05 0.94 -0.71 -0.09 -0.87 0.00 0.00 176.83 176.14 2hgh h ARG 151 N 1.01 0.62 -0.42 4.77 1.12 -1.87 -0.94 114.38 118.68 2hgh h ARG 151 Ca 0.22 -0.48 -0.03 0.00 -1.11 0.00 0.00 59.98 58.58 2hgh h ARG 151 Cb 0.32 0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.35 2hgh h ARG 151 CO -0.00 1.10 0.13 1.25 -3.11 0.00 0.00 179.97 179.33 2hgh h LEU 152 N 0.43 0.61 -0.94 3.80 5.85 -1.26 -0.14 115.31 123.67 2hgh h LEU 152 Ca -0.03 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 2hgh h LEU 152 Cb 1.31 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 2hgh h LEU 152 CO 0.14 0.65 0.27 0.50 -0.34 0.00 0.00 178.44 179.66 2hgh h LYS 153 N 0.53 1.04 -0.14 1.25 1.63 -0.60 0.12 116.57 120.40 2hgh h LYS 153 Ca 0.13 -0.18 -0.13 0.00 -0.85 0.00 0.00 60.65 59.63 2hgh h LYS 153 Cb 0.26 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 2hgh h LYS 153 CO -0.00 0.86 -0.45 0.00 -3.45 0.00 0.00 179.45 176.40 2hgh h ARG 154 N 1.02 0.35 -0.47 1.90 3.08 -1.05 -2.53 114.38 116.68 2hgh h ARG 154 Ca 0.23 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 2hgh h ARG 154 Cb 0.21 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2hgh h ARG 154 CO -0.02 0.74 0.06 1.25 -1.07 0.00 0.00 179.97 180.93 2hgh h HIS 155 N 0.29 0.77 -0.27 3.04 2.76 -0.25 -2.50 115.15 118.99 2hgh h HIS 155 Ca 0.02 -0.08 0.04 0.00 -2.20 0.00 0.00 60.37 58.14 2hgh h HIS 155 Cb 0.92 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 2hgh h HIS 155 CO 0.02 0.69 0.18 1.49 -1.30 0.00 0.00 177.93 179.02 2hgh h GLU 156 N 0.71 0.20 0.00 5.26 4.81 -0.34 0.53 114.58 125.74 2hgh h GLU 156 Ca 0.15 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2hgh h GLU 156 Cb 0.35 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 2hgh h GLU 156 CO 0.01 0.13 -0.00 0.87 -0.73 0.00 0.00 179.01 179.29 2hgh h LYS 157 N 0.20 0.00 -0.70 1.92 1.79 -1.35 -1.41 116.57 117.02 2hgh h LYS 157 Ca 0.11 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.57 2hgh h LYS 157 Cb 0.20 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 2hgh h LYS 157 CO -0.02 0.00 0.37 0.28 -1.08 0.00 0.00 179.45 179.00 2hgh h VAL 158 N 0.00 1.22 0.02 0.50 2.07 -0.99 0.18 116.25 119.25 2hgh h VAL 158 Ca -0.00 -0.57 -0.20 0.00 0.82 0.00 0.00 66.70 66.75 2hgh h VAL 158 Cb 0.00 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2hgh h VAL 158 CO 0.00 0.25 -0.93 0.45 0.02 0.00 0.00 177.57 177.36 2hgh h HIS 159 N 0.97 0.24 0.00 1.57 3.86 -1.40 -3.16 115.15 117.22 2hgh h HIS 159 Ca 0.25 -0.14 -0.10 0.00 -1.16 0.00 0.00 60.37 59.21 2hgh h HIS 159 Cb 0.06 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2hgh h HIS 159 CO -0.00 0.99 -0.50 0.00 0.86 0.00 0.00 177.93 179.29 2hgh h ALA 160 N 0.96 1.08 0.00 2.45 0.00 -0.99 -3.50 119.26 119.26 2hgh h ALA 160 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2hgh h ALA 160 Cb 1.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2hgh h ALA 160 CO 0.14 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.42 2hgh n GLY 161 N 0.06 0.21 2.88 0.00 0.00 0.60 -4.93 105.19 104.01 2hgh n GLY 161 Ca -0.01 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.03 2.86 0.31 1.61 1.51 0.05 -4.83 117.35 116.83 2hgh s TYR 162 Ca 0.00 -2.72 -0.24 0.00 -1.01 0.00 0.00 57.07 53.10 2hgh s TYR 162 Cb 0.00 -2.47 -0.10 0.00 -0.11 0.00 0.00 41.96 39.28 2hgh s TYR 162 CO 0.00 -0.84 0.90 -1.25 -1.11 0.00 0.00 175.55 173.25 2hgh s PRO 163 N 0.54 4.48 0.36 -1.71 0.04 -1.26 -1.25 135.00 136.19 2hgh s PRO 163 Ca 0.14 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 62.13 2hgh s PRO 163 Cb -0.22 -2.75 -0.09 0.00 0.04 0.00 0.00 34.50 31.48 2hgh s PRO 163 CO -0.07 0.27 1.13 0.00 0.04 0.00 0.00 177.00 178.38 2hgh n LYS 165 N 0.37 0.00 0.27 0.00 4.81 -1.26 -4.78 118.16 117.57 2hgh n LYS 165 Ca 0.03 -0.59 0.15 0.00 -0.87 0.00 0.00 58.31 57.03 2hgh n LYS 165 Cb 0.46 -0.45 0.70 0.00 0.02 0.00 0.00 35.03 35.77 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 -2.89 1.64 1.79 -1.93 -3.44 116.57 111.75 2hgh h LYS 166 Ca 0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 2hgh h LYS 166 Cb 1.11 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.54 2hgh h LYS 166 CO 0.00 0.08 -0.26 0.34 -1.08 0.00 0.00 179.45 178.54 2hgh s ASP 167 N -5.86 -0.31 0.43 0.86 2.15 -1.26 -5.06 116.67 107.62 2hgh s ASP 167 Ca -0.01 0.44 0.16 0.00 0.43 0.00 0.00 52.55 53.57 2hgh s ASP 167 Cb 0.11 0.54 0.96 0.00 -0.30 0.00 0.00 42.92 44.23 2hgh s ASP 167 CO 0.56 -0.30 1.93 -0.78 -0.17 0.00 0.00 175.17 176.41 2hgh h ASP 168 N 4.64 0.00 -0.51 -0.34 3.58 -1.97 -2.58 116.42 119.25 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 0.34 0.25 0.00 -1.20 -2.88 0.00 0.00 179.24 175.75 2hgh n SER 169 N -4.10 5.00 -4.43 2.28 7.64 -1.26 -4.87 113.62 113.88 2hgh n SER 169 Ca -0.02 -2.75 -0.33 0.00 1.01 0.00 0.00 58.87 56.78 2hgh n SER 169 Cb 0.31 -0.65 -0.13 0.00 -1.01 0.00 0.00 64.21 62.73 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 3.07 0.78 -4.77 0.00 7.64 -1.26 -4.79 113.62 114.29 2hgh n SER 171 Ca -0.18 -1.95 -0.41 0.00 1.01 0.00 0.00 58.87 57.34 2hgh n SER 171 Cb 0.53 -0.16 -0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2hgh n SER 171 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2hgh s PHE 172 N -0.74 2.61 -0.12 1.43 2.19 -1.26 -4.82 117.98 117.27 2hgh s PHE 172 Ca 0.07 1.02 0.00 0.00 0.33 0.00 0.00 56.93 58.35 2hgh s PHE 172 Cb 0.06 -4.06 0.02 0.00 -1.31 0.00 0.00 43.02 37.73 2hgh s PHE 172 CO 0.01 -3.27 -0.10 0.08 1.83 0.00 0.00 175.22 173.77 2hgh s VAL 173 N -0.76 1.16 0.16 3.12 1.01 -1.26 -0.53 120.40 123.30 2hgh s VAL 173 Ca 0.56 -0.39 -0.20 0.00 0.00 0.00 0.00 61.98 61.96 2hgh s VAL 173 Cb -0.47 -1.14 -0.08 0.00 0.00 0.00 0.00 36.38 34.69 2hgh s VAL 173 CO 0.59 0.39 0.67 -0.83 0.00 0.00 0.00 175.10 175.91 2hgh s GLY 174 N 1.54 2.67 0.41 4.51 0.00 -0.38 -4.81 107.32 111.27 2hgh s GLY 174 Ca 0.03 0.13 0.29 0.00 0.00 0.00 0.00 44.72 45.17 2hgh s GLY 174 CO -0.07 0.53 1.84 0.50 0.00 0.00 0.00 173.10 175.90 2hgh h LYS 175 N 3.93 0.00 -3.79 2.90 1.57 -1.89 0.17 116.57 119.45 2hgh h LYS 175 Ca -0.48 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.21 2hgh h LYS 175 Cb 1.20 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.37 2hgh h LYS 175 CO 0.65 0.00 -0.36 0.95 -0.57 0.00 0.00 179.45 180.12 2hgh s THR 176 N -3.46 0.14 0.29 -0.16 -4.23 -1.26 -4.66 115.64 102.30 2hgh s THR 176 Ca 0.03 -1.16 -0.01 0.00 -1.18 0.00 0.00 61.69 59.38 2hgh s THR 176 Cb 0.09 -1.34 0.27 0.00 1.34 0.00 0.00 72.50 72.86 2hgh s THR 176 CO 0.51 -0.63 1.92 -0.25 -0.54 0.00 0.00 174.62 175.63 2hgh h TRP 177 N 2.73 1.08 -0.45 3.99 -0.00 -1.95 -1.86 115.95 119.49 2hgh h TRP 177 Ca -0.34 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.61 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 0.23 1.79 -0.00 0.00 0.00 178.44 181.47 2hgh h THR 178 N 1.09 0.97 -0.33 2.65 1.35 -1.98 -1.54 112.91 115.11 2hgh h THR 178 Ca 0.38 -0.16 -0.04 0.00 -0.55 0.00 0.00 66.41 66.04 2hgh h THR 178 Cb 0.11 0.47 -0.02 0.00 -1.73 0.00 0.00 68.15 66.99 2hgh h THR 178 CO -0.13 0.08 0.04 -0.07 -0.25 0.00 0.00 175.52 175.19 2hgh h LEU 179 N 0.45 0.45 -0.07 3.87 3.38 -1.74 0.19 115.31 121.84 2hgh h LEU 179 Ca 0.20 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2hgh h LEU 179 Cb 0.10 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2hgh h LEU 179 CO -0.14 0.49 -0.07 0.22 0.09 0.00 0.00 178.44 179.03 2hgh h TYR 180 N 0.48 0.22 -0.86 1.13 3.20 -1.23 -0.53 116.97 119.37 2hgh h TYR 180 Ca 0.11 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.92 2hgh h TYR 180 Cb 0.25 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 2hgh h TYR 180 CO 0.01 0.62 0.56 -0.07 -1.64 0.00 0.00 178.16 177.64 2hgh h LEU 181 N -0.25 1.00 -0.56 2.82 3.38 -0.88 0.58 115.31 121.41 2hgh h LEU 181 Ca 0.01 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2hgh h LEU 181 Cb 0.59 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2hgh h LEU 181 CO 0.02 0.74 0.18 0.50 0.09 0.00 0.00 178.44 179.97 2hgh h LYS 182 N 1.18 0.87 -0.81 1.13 3.11 -0.65 -2.19 116.57 119.21 2hgh h LYS 182 Ca 0.31 -0.19 -0.02 0.00 -2.81 0.00 0.00 60.65 57.95 2hgh h LYS 182 Cb -0.11 -0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 30.95 2hgh h LYS 182 CO -0.07 0.79 0.42 1.25 -2.81 0.00 0.00 179.45 179.03 2hgh h HIS 183 N 0.78 1.13 -0.43 1.91 2.76 -0.39 -2.64 115.15 118.27 2hgh h HIS 183 Ca 0.18 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2hgh h HIS 183 Cb 0.28 -0.36 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 2hgh h HIS 183 CO 0.02 0.80 0.22 0.28 -1.30 0.00 0.00 177.93 177.95 2hgh h VAL 184 N 1.13 1.17 0.00 5.26 2.07 -0.67 0.15 116.25 125.35 2hgh h VAL 184 Ca 0.28 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2hgh h VAL 184 Cb 0.07 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2hgh h VAL 184 CO -0.04 0.18 -0.20 0.00 0.02 0.00 0.00 177.57 177.53 2hgh h ALA 185 N 1.07 1.53 0.08 1.67 0.00 -1.16 0.46 119.26 122.91 2hgh h ALA 185 Ca 0.15 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 2hgh h ALA 185 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2hgh h ALA 185 CO -0.02 0.24 -1.66 1.49 0.00 0.00 0.00 179.25 179.30 2hgh h GLU 186 N 0.00 0.18 0.00 0.00 4.81 -1.12 -3.33 114.58 115.12 2hgh h GLU 186 Ca -0.00 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2hgh h GLU 186 Cb 0.38 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2hgh h GLU 186 CO 0.03 1.14 -1.60 0.00 -0.73 0.00 0.00 179.01 177.85 2hgh n HIS 188 N -2.22 1.72 0.24 0.00 8.25 0.14 -4.88 115.22 118.48 2hgh n HIS 188 Ca -0.02 -2.14 0.07 0.00 -0.26 0.00 0.00 57.72 55.37 2hgh n HIS 188 Cb 0.53 -0.26 0.57 0.00 1.12 0.00 0.00 29.99 31.94 2hgh n HIS 188 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2hgh h GLN 189 N 2.44 0.00 0.00 -0.41 4.15 -1.66 -3.45 115.11 116.19 2hgh h GLN 189 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2hgh h GLN 189 Cb 1.36 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.05 2hgh h GLN 189 CO 0.37 0.11 0.00 -3.47 -1.93 0.00 0.00 178.83 173.90