#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 3.05 -0.07 1.12 1.51 -0.13 -4.95 117.35 117.87 2hgh s TYR 105 Ca 0.00 -0.77 0.01 0.00 -1.01 0.00 0.00 57.07 55.30 2hgh s TYR 105 Cb 0.00 -2.18 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 2hgh s TYR 105 CO 0.00 -0.49 -0.08 0.08 -1.11 0.00 0.00 175.55 173.95 2hgh s VAL 106 N 1.53 3.57 -0.02 0.71 1.01 -1.26 -0.21 120.40 125.74 2hgh s VAL 106 Ca 0.05 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 2hgh s VAL 106 Cb -0.15 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 2hgh s VAL 106 CO 0.00 0.59 1.08 0.00 0.00 0.00 0.00 175.10 176.77 2hgh n HIS 108 N 4.39 1.25 -1.45 0.00 8.25 -1.26 -2.59 115.22 123.82 2hgh n HIS 108 Ca 0.08 -1.21 -0.35 0.00 -0.26 0.00 0.00 57.72 55.99 2hgh n HIS 108 Cb 0.48 -0.44 0.09 0.00 1.12 0.00 0.00 29.99 31.24 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 2.19 -1.26 -4.83 117.98 117.31 2hgh s PHE 109 Ca 0.45 1.59 -0.32 0.00 0.33 0.00 0.00 56.93 58.98 2hgh s PHE 109 Cb 0.38 -3.51 -0.10 0.00 -1.31 0.00 0.00 43.02 38.48 2hgh s PHE 109 CO 0.06 -2.70 2.06 -1.91 1.83 0.00 0.00 175.22 174.57 2hgh n GLU 110 N -2.65 1.88 -1.16 10.12 4.07 -1.26 -1.35 120.64 130.28 2hgh n GLU 110 Ca 0.14 0.61 -0.06 0.00 -0.06 0.00 0.00 57.16 57.79 2hgh n GLU 110 Cb 0.50 -2.79 -0.02 0.00 -0.06 0.00 0.00 31.44 29.07 2hgh n GLU 110 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2hgh n ASN 111 N 8.94 -4.41 0.00 4.31 5.15 -1.26 -4.94 115.26 123.05 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 0.33 -2.41 0.00 0.00 -0.53 0.00 0.00 39.78 37.17 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 2.40 0.73 3.77 0.00 0.00 -1.07 -5.00 105.19 106.01 2hgh n GLY 113 Ca 0.00 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.92 4.16 -0.03 1.61 2.20 -1.25 -4.79 119.74 119.71 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 -2.81 -0.01 0.00 -1.51 0.00 0.00 37.83 33.50 2hgh s LYS 114 CO 0.00 -0.26 -0.22 0.00 -0.36 0.00 0.00 175.35 174.52 2hgh s ALA 115 N -1.32 1.84 0.16 3.13 0.00 -1.26 -0.31 121.76 124.00 2hgh s ALA 115 Ca 0.54 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.66 2hgh s ALA 115 Cb -0.33 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 2hgh s ALA 115 CO 0.42 0.41 -0.17 -0.06 0.00 0.00 0.00 175.76 176.36 2hgh s PHE 116 N -0.33 1.71 0.20 0.00 0.40 0.71 -4.98 117.98 115.69 2hgh s PHE 116 Ca 0.03 -0.50 -0.01 0.00 -0.60 0.00 0.00 56.93 55.86 2hgh s PHE 116 Cb -0.10 -0.86 0.16 0.00 0.51 0.00 0.00 43.02 42.72 2hgh s PHE 116 CO 0.01 0.29 1.52 1.57 0.70 0.00 0.00 175.22 179.31 2hgh h LYS 117 N 3.27 0.47 -5.31 0.44 2.10 -1.97 -0.32 116.57 115.25 2hgh h LYS 117 Ca -0.41 -0.30 -0.40 0.00 -2.00 0.00 0.00 60.65 57.53 2hgh h LYS 117 Cb 1.20 0.04 -0.21 0.00 -0.90 0.00 0.00 32.23 32.36 2hgh h LYS 117 CO 0.52 0.90 -0.77 0.15 -2.00 0.00 0.00 179.45 178.24 2hgh s LYS 118 N -3.94 0.83 0.39 0.07 1.02 -1.26 -4.52 119.74 112.31 2hgh s LYS 118 Ca -0.06 -0.98 0.15 0.00 0.02 0.00 0.00 55.97 55.10 2hgh s LYS 118 Cb 0.11 -0.80 0.79 0.00 -0.52 0.00 0.00 37.83 37.42 2hgh s LYS 118 CO 0.83 0.17 1.84 1.12 -0.92 0.00 0.00 175.35 178.39 2hgh h HIS 119 N 4.21 0.00 -0.12 3.18 2.07 -1.92 -2.32 115.15 120.26 2hgh h HIS 119 Ca -0.40 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.06 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 0.63 0.35 -0.18 -0.91 -3.07 0.00 0.00 177.93 174.76 2hgh h ASN 120 N 0.00 0.19 0.05 3.10 2.35 -1.99 0.14 115.58 119.41 2hgh h ASN 120 Ca -0.00 -0.04 -0.20 0.00 -0.55 0.00 0.00 56.30 55.51 2hgh h ASN 120 Cb 0.67 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.99 2hgh h ASN 120 CO 0.05 0.38 -0.71 1.56 -1.65 0.00 0.00 177.43 177.05 2hgh h GLN 121 N 0.18 0.59 -0.29 0.81 4.20 -1.86 -1.54 115.11 117.21 2hgh h GLN 121 Ca 0.04 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.29 2hgh h GLN 121 Cb 0.42 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2hgh h GLN 121 CO 0.03 1.08 0.19 1.25 -0.67 0.00 0.00 178.83 180.71 2hgh h LEU 122 N 0.42 0.33 -0.65 1.46 5.85 -1.03 0.19 115.31 121.88 2hgh h LEU 122 Ca -0.03 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2hgh h LEU 122 Cb 1.31 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 2hgh h LEU 122 CO 0.14 0.24 0.37 0.11 -0.34 0.00 0.00 178.44 178.96 2hgh h LYS 123 N 0.39 0.68 -0.90 1.25 1.57 -0.72 -0.79 116.57 118.05 2hgh h LYS 123 Ca 0.11 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2hgh h LYS 123 Cb -0.04 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.06 2hgh h LYS 123 CO -0.02 0.45 0.58 0.28 -0.57 0.00 0.00 179.45 180.16 2hgh h VAL 124 N 0.70 1.11 -0.22 0.50 2.07 -0.78 -2.07 116.25 117.56 2hgh h VAL 124 Ca 0.28 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 2hgh h VAL 124 Cb 0.14 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2hgh h VAL 124 CO -0.16 0.20 -0.15 -0.74 0.02 0.00 0.00 177.57 176.74 2hgh h HIS 125 N 1.09 0.57 -0.12 1.57 -0.00 -0.18 -3.19 115.15 114.90 2hgh h HIS 125 Ca 0.37 -0.15 -0.06 0.00 -0.00 0.00 0.00 60.37 60.52 2hgh h HIS 125 Cb 0.07 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 2hgh h HIS 125 CO -0.02 0.80 -0.22 1.96 -0.00 0.00 0.00 177.93 180.45 2hgh h GLN 126 N 0.18 0.20 -0.45 5.26 4.20 -0.95 -1.61 115.11 121.94 2hgh h GLN 126 Ca 0.04 -0.06 0.13 0.00 0.06 0.00 0.00 58.65 58.83 2hgh h GLN 126 Cb 0.67 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 2hgh h GLN 126 CO 0.04 0.42 0.36 0.27 -0.67 0.00 0.00 178.83 179.24 2hgh h PHE 127 N 0.19 0.00 -0.16 2.96 -5.15 -1.36 -0.69 116.94 112.73 2hgh h PHE 127 Ca 0.03 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.77 2hgh h PHE 127 Cb 0.50 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.66 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 0.32 -0.38 -0.68 0.87 -1.38 0.22 113.55 112.52 2hgh h SER 128 Ca 0.22 -0.38 -0.06 0.00 -1.23 0.00 0.00 61.79 60.34 2hgh h SER 128 Cb 0.93 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 2hgh h SER 128 CO -0.00 0.62 0.04 0.45 -0.53 0.00 0.00 176.83 177.40 2hgh h HIS 129 N 0.01 0.77 0.00 2.24 3.86 -1.25 -2.40 115.15 118.38 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 0.49 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.74 2hgh h HIS 129 CO 0.05 0.70 -0.15 1.79 0.86 0.00 0.00 177.93 181.18 2hgh h THR 130 N 0.70 0.00 -4.30 2.45 1.35 -1.17 -3.47 112.91 108.46 2hgh h THR 130 Ca 0.14 -0.82 -0.34 0.00 -0.55 0.00 0.00 66.41 64.84 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 -0.48 1.67 -0.25 0.00 0.00 175.52 176.47 2hgh n GLN 131 N -2.76 -3.11 -4.22 4.72 -0.06 0.76 -5.00 117.38 107.71 2hgh n GLN 131 Ca 0.04 0.70 -0.16 0.00 -2.00 0.00 0.00 57.00 55.58 2hgh n GLN 131 Cb 0.50 -5.40 -0.11 0.00 -4.06 0.00 0.00 30.24 21.17 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 -5.46 0.97 -0.14 3.69 1.03 -1.05 -5.04 119.66 113.66 2hgh s GLN 132 Ca 0.18 -1.26 -0.14 0.00 0.04 0.00 0.00 55.36 54.18 2hgh s GLN 132 Cb -0.09 -0.72 -0.05 0.00 0.03 0.00 0.00 33.01 32.18 2hgh s GLN 132 CO 0.22 0.12 0.32 -0.51 -2.54 0.00 0.00 175.29 172.90 2hgh s LEU 133 N -2.60 4.28 0.06 2.60 1.43 -1.26 -4.60 118.68 118.57 2hgh s LEU 133 Ca 0.09 0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 53.66 2hgh s LEU 133 Cb -0.03 -2.41 -0.30 0.00 0.03 0.00 0.00 46.19 43.48 2hgh s LEU 133 CO 0.02 0.13 1.09 1.55 0.23 0.00 0.00 176.35 179.36 2hgh h PRO 134 N 6.41 0.47 -4.43 1.29 0.13 -1.88 -3.43 132.00 130.56 2hgh h PRO 134 Ca -0.43 -0.73 -0.73 0.00 -0.87 0.00 0.00 66.00 63.23 2hgh h PRO 134 Cb 1.17 0.26 -0.22 0.00 0.13 0.00 0.00 31.00 32.35 2hgh h PRO 134 CO 0.73 1.34 0.24 0.71 -0.23 0.00 0.00 178.00 180.80 2hgh s TYR 135 N -2.75 3.30 -0.05 1.56 2.02 -1.09 -4.98 117.35 115.35 2hgh s TYR 135 Ca -0.07 -1.43 -0.06 0.00 -0.37 0.00 0.00 57.07 55.14 2hgh s TYR 135 Cb 0.06 -3.99 -0.04 0.00 -0.40 0.00 0.00 41.96 37.58 2hgh s TYR 135 CO 0.92 -1.22 0.19 -1.83 -1.57 0.00 0.00 175.55 172.05 2hgh s GLU 136 N 1.76 3.49 -0.14 -0.62 -1.05 -1.26 -0.04 118.70 120.84 2hgh s GLU 136 Ca 0.18 -0.16 -0.29 0.00 -0.15 0.00 0.00 54.97 54.54 2hgh s GLU 136 Cb -0.16 -3.14 -0.02 0.00 -0.44 0.00 0.00 34.13 30.37 2hgh s GLU 136 CO -0.03 0.71 1.31 0.00 0.95 0.00 0.00 175.26 178.21 2hgh n PRO 138 N 6.49 1.72 -1.96 0.00 -0.04 -1.26 -4.55 135.00 135.40 2hgh n PRO 138 Ca 0.14 -1.08 -0.39 0.00 -0.04 0.00 0.00 63.50 62.13 2hgh n PRO 138 Cb 0.45 -1.39 0.01 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.78 2.62 -0.33 0.54 2.46 -1.26 -4.91 115.29 112.62 2hgh s HIS 139 Ca 0.32 1.38 -0.28 0.00 0.47 0.00 0.00 55.06 56.95 2hgh s HIS 139 Cb 0.17 -3.72 -0.02 0.00 -0.13 0.00 0.00 32.58 28.88 2hgh s HIS 139 CO 0.26 -2.39 1.84 -1.21 -2.47 0.00 0.00 174.74 170.76 2hgh s GLU 140 N -2.51 3.28 0.00 2.88 2.02 -1.26 -1.98 118.70 121.14 2hgh s GLU 140 Ca 0.62 1.44 0.00 0.00 0.02 0.00 0.00 54.97 57.05 2hgh s GLU 140 Cb -0.39 -4.22 0.00 0.00 0.10 0.00 0.00 34.13 29.62 2hgh s GLU 140 CO 0.48 -1.92 0.00 0.41 0.02 0.00 0.00 175.26 174.25 2hgh n GLY 141 N 5.46 0.62 3.74 -1.39 0.00 -1.26 -5.10 105.19 107.26 2hgh n GLY 141 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.40 0.00 -4.76 0.00 5.75 -1.26 -4.75 116.55 111.12 2hgh n ASP 143 Ca -0.09 -1.16 -0.39 0.00 -0.01 0.00 0.00 54.79 53.15 2hgh n ASP 143 Cb 0.55 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 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 3.77 0.06 0.11 -0.14 -1.26 -4.86 119.74 117.42 2hgh s LYS 144 Ca 0.00 2.11 0.04 0.00 -1.36 0.00 0.00 55.97 56.76 2hgh s LYS 144 Cb 0.00 -2.60 -0.03 0.00 -1.68 0.00 0.00 37.83 33.53 2hgh s LYS 144 CO 0.00 -0.64 -0.11 1.03 -0.76 0.00 0.00 175.35 174.87 2hgh s ARG 145 N -2.46 0.68 0.11 1.68 0.52 -1.26 -0.85 118.95 117.37 2hgh s ARG 145 Ca 0.61 -0.88 0.03 0.00 -0.52 0.00 0.00 55.73 54.97 2hgh s ARG 145 Cb -0.37 -0.56 -0.04 0.00 0.52 0.00 0.00 34.95 34.50 2hgh s ARG 145 CO 0.46 0.11 -0.08 -0.06 0.02 0.00 0.00 175.30 175.75 2hgh s PHE 146 N -1.40 1.02 -0.07 -0.53 0.08 0.94 -4.98 117.98 113.02 2hgh s PHE 146 Ca -0.05 -0.79 0.13 0.00 0.12 0.00 0.00 56.93 56.34 2hgh s PHE 146 Cb -0.10 -0.56 -0.07 0.00 -0.57 0.00 0.00 43.02 41.73 2hgh s PHE 146 CO 0.01 -0.05 1.21 0.66 -0.10 0.00 0.00 175.22 176.95 2hgh h SER 147 N 3.16 0.00 -4.32 1.36 4.64 -1.96 -2.90 113.55 113.53 2hgh h SER 147 Ca -0.36 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.62 2hgh h SER 147 Cb 1.18 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.09 2hgh h SER 147 CO 0.60 0.68 -0.74 -0.76 -0.87 0.00 0.00 176.83 175.74 2hgh s LEU 148 N -6.34 2.40 0.35 5.97 2.01 -1.26 -4.79 118.68 117.02 2hgh s LEU 148 Ca 0.01 -0.80 0.09 0.00 0.01 0.00 0.00 54.13 53.44 2hgh s LEU 148 Cb 0.08 -0.36 0.67 0.00 0.01 0.00 0.00 46.19 46.59 2hgh s LEU 148 CO 0.78 -0.23 1.83 1.55 1.01 0.00 0.00 176.35 181.30 2hgh h PRO 149 N 3.60 0.19 -0.62 1.29 0.13 -1.96 -2.55 132.00 132.09 2hgh h PRO 149 Ca -0.38 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 2hgh h PRO 149 Cb 1.19 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2hgh h PRO 149 CO 0.52 0.45 0.12 0.77 -0.23 0.00 0.00 178.00 179.63 2hgh h SER 150 N 0.17 0.93 -0.45 1.44 0.02 -1.98 0.75 113.55 114.43 2hgh h SER 150 Ca 0.03 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.69 2hgh h SER 150 Cb 0.57 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2hgh h SER 150 CO 0.04 0.91 -0.10 0.03 -1.14 0.00 0.00 176.83 176.57 2hgh h ARG 151 N 0.93 0.86 -0.24 3.45 3.08 -1.89 -1.23 114.38 119.34 2hgh h ARG 151 Ca 0.19 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2hgh h ARG 151 Cb 0.37 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2hgh h ARG 151 CO 0.00 0.96 0.05 1.25 -1.07 0.00 0.00 179.97 181.17 2hgh h LEU 152 N 0.70 0.37 -1.18 3.04 5.85 -1.25 -0.92 115.31 121.92 2hgh h LEU 152 Ca 0.11 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 2hgh h LEU 152 Cb 0.64 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2hgh h LEU 152 CO 0.04 0.51 0.33 0.50 -0.34 0.00 0.00 178.44 179.48 2hgh h LYS 153 N 0.21 0.90 -0.38 1.25 1.63 -0.75 -0.48 116.57 118.96 2hgh h LYS 153 Ca 0.08 -0.11 -0.16 0.00 -0.85 0.00 0.00 60.65 59.61 2hgh h LYS 153 Cb 0.29 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 2hgh h LYS 153 CO 0.00 0.68 -0.39 -0.09 -3.45 0.00 0.00 179.45 176.20 2hgh h ARG 154 N 0.90 0.92 -0.44 1.90 2.43 -1.12 -2.80 114.38 116.17 2hgh h ARG 154 Ca 0.23 -0.49 0.03 0.00 -0.81 0.00 0.00 59.98 58.94 2hgh h ARG 154 Cb 0.06 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2hgh h ARG 154 CO -0.03 1.14 0.30 1.25 -1.51 0.00 0.00 179.97 181.11 2hgh h HIS 155 N 0.75 0.48 -0.27 2.20 2.76 -0.47 -1.81 115.15 118.79 2hgh h HIS 155 Ca 0.06 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.29 2hgh h HIS 155 Cb 0.98 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.77 2hgh h HIS 155 CO 0.06 0.28 0.18 1.49 -1.30 0.00 0.00 177.93 178.65 2hgh h GLU 156 N 0.50 0.16 -0.03 5.26 4.81 -0.83 -0.00 114.58 124.45 2hgh h GLU 156 Ca 0.18 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2hgh h GLU 156 Cb 0.10 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2hgh h GLU 156 CO -0.04 0.10 0.03 -0.22 -0.73 0.00 0.00 179.01 178.15 2hgh h LYS 157 N 0.16 0.00 -0.72 1.92 1.63 -1.37 -1.21 116.57 116.97 2hgh h LYS 157 Ca 0.12 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 2hgh h LYS 157 Cb 0.27 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.87 2hgh h LYS 157 CO -0.02 0.00 0.39 0.28 -3.45 0.00 0.00 179.45 176.65 2hgh h VAL 158 N 0.00 1.22 0.00 2.00 2.07 -1.13 0.95 116.25 121.37 2hgh h VAL 158 Ca 0.01 -0.57 -0.18 0.00 0.82 0.00 0.00 66.70 66.78 2hgh h VAL 158 Cb 0.07 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2hgh h VAL 158 CO -0.00 0.25 -0.86 0.45 0.02 0.00 0.00 177.57 177.43 2hgh h HIS 159 N 0.99 0.03 0.00 1.57 3.86 -1.37 -3.05 115.15 117.18 2hgh h HIS 159 Ca 0.25 -0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.34 2hgh h HIS 159 Cb 0.05 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 2hgh h HIS 159 CO -0.00 0.87 -0.49 0.00 0.86 0.00 0.00 177.93 179.17 2hgh h ALA 160 N 1.12 1.09 0.00 2.45 0.00 -1.05 -3.50 119.26 119.37 2hgh h ALA 160 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2hgh h ALA 160 Cb 1.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2hgh h ALA 160 CO 0.11 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.39 2hgh n GLY 161 N 0.05 -0.66 2.88 0.00 0.00 0.30 -4.89 105.19 102.87 2hgh n GLY 161 Ca -0.01 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.54 2.85 0.28 1.61 1.51 0.23 -4.85 117.35 117.45 2hgh s TYR 162 Ca 0.00 -2.71 -0.28 0.00 -1.01 0.00 0.00 57.07 53.07 2hgh s TYR 162 Cb 0.00 -2.46 -0.09 0.00 -0.11 0.00 0.00 41.96 39.29 2hgh s TYR 162 CO 0.00 -0.84 0.95 -1.25 -1.11 0.00 0.00 175.55 173.30 2hgh s PRO 163 N 0.55 4.71 0.33 -1.71 0.04 -1.26 -0.98 135.00 136.68 2hgh s PRO 163 Ca 0.14 1.42 -0.28 0.00 0.04 0.00 0.00 61.00 62.32 2hgh s PRO 163 Cb -0.22 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.20 2hgh s PRO 163 CO -0.07 0.38 1.17 0.00 0.04 0.00 0.00 177.00 178.52 2hgh n LYS 165 N 0.73 0.00 0.26 0.00 2.85 -1.26 -4.76 118.16 115.98 2hgh n LYS 165 Ca 0.01 -0.54 0.13 0.00 -1.05 0.00 0.00 58.31 56.86 2hgh n LYS 165 Cb 0.45 -0.45 0.68 0.00 -0.65 0.00 0.00 35.03 35.06 2hgh n LYS 165 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2hgh h LYS 166 N 0.00 0.00 -2.82 -1.58 6.56 -1.93 -3.44 116.57 113.37 2hgh h LYS 166 Ca 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.47 2hgh h LYS 166 Cb 1.07 0.00 -0.22 0.00 -0.57 0.00 0.00 32.23 32.51 2hgh h LYS 166 CO 0.00 0.13 -0.22 0.34 -2.06 0.00 0.00 179.45 177.64 2hgh s ASP 167 N -6.03 -0.34 0.44 0.86 2.15 -1.26 -5.05 116.67 107.44 2hgh s ASP 167 Ca -0.02 0.48 0.18 0.00 0.43 0.00 0.00 52.55 53.62 2hgh s ASP 167 Cb 0.12 0.57 1.02 0.00 -0.30 0.00 0.00 42.92 44.32 2hgh s ASP 167 CO 0.58 -0.32 1.94 -0.78 -0.17 0.00 0.00 175.17 176.43 2hgh h ASP 168 N 4.56 0.00 -0.44 -0.34 3.58 -1.96 -2.48 116.42 119.33 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 0.33 0.24 0.00 -1.20 -2.88 0.00 0.00 179.24 175.73 2hgh n SER 169 N -4.00 4.40 -4.42 2.28 7.64 -1.26 -4.85 113.62 113.40 2hgh n SER 169 Ca -0.02 -2.63 -0.33 0.00 1.01 0.00 0.00 58.87 56.91 2hgh n SER 169 Cb 0.31 -0.61 -0.14 0.00 -1.01 0.00 0.00 64.21 62.76 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 2.91 0.44 -4.77 0.00 7.64 -1.26 -4.80 113.62 113.77 2hgh n SER 171 Ca -0.18 -1.86 -0.40 0.00 1.01 0.00 0.00 58.87 57.45 2hgh n SER 171 Cb 0.52 -0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.43 2.62 -0.11 1.43 2.19 -1.26 -4.82 117.98 117.60 2hgh s PHE 172 Ca 0.04 1.30 0.00 0.00 0.33 0.00 0.00 56.93 58.60 2hgh s PHE 172 Cb 0.04 -3.85 0.02 0.00 -1.31 0.00 0.00 43.02 37.91 2hgh s PHE 172 CO 0.00 -2.64 -0.10 0.08 1.83 0.00 0.00 175.22 174.39 2hgh s VAL 173 N -1.20 1.17 0.01 3.12 1.01 -1.26 -0.50 120.40 122.75 2hgh s VAL 173 Ca 0.58 -0.41 -0.25 0.00 0.00 0.00 0.00 61.98 61.89 2hgh s VAL 173 Cb -0.42 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 2hgh s VAL 173 CO 0.55 0.39 0.78 -0.83 0.00 0.00 0.00 175.10 175.99 2hgh s GLY 174 N 1.39 2.76 0.33 4.51 0.00 -0.15 -4.80 107.32 111.35 2hgh s GLY 174 Ca -0.00 0.28 0.25 0.00 0.00 0.00 0.00 44.72 45.25 2hgh s GLY 174 CO -0.05 1.21 1.76 0.50 0.00 0.00 0.00 173.10 176.51 2hgh h LYS 175 N 6.13 0.00 -3.60 2.90 1.57 -1.89 0.69 116.57 122.36 2hgh h LYS 175 Ca -0.43 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.29 2hgh h LYS 175 Cb 1.20 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.39 2hgh h LYS 175 CO 0.73 0.00 -0.19 0.95 -0.57 0.00 0.00 179.45 180.37 2hgh s THR 176 N -3.45 0.08 0.26 -0.16 -4.23 -1.26 -4.67 115.64 102.20 2hgh s THR 176 Ca 0.02 -0.96 -0.04 0.00 -1.18 0.00 0.00 61.69 59.53 2hgh s THR 176 Cb 0.09 -1.45 0.25 0.00 1.34 0.00 0.00 72.50 72.73 2hgh s THR 176 CO 0.36 -0.36 1.88 -0.25 -0.54 0.00 0.00 174.62 175.72 2hgh h TRP 177 N 2.47 1.16 -0.35 3.99 -0.00 -1.94 -2.12 115.95 119.15 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 -0.38 -0.04 0.00 -0.00 0.00 0.00 29.16 29.98 2hgh h TRP 177 CO 0.37 0.62 0.13 1.79 -0.00 0.00 0.00 178.44 181.35 2hgh h THR 178 N 1.15 0.90 -0.49 2.65 1.35 -1.97 -1.39 112.91 115.12 2hgh h THR 178 Ca 0.41 -0.09 -0.02 0.00 -0.55 0.00 0.00 66.41 66.15 2hgh h THR 178 Cb 0.11 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 67.11 2hgh h THR 178 CO -0.16 0.05 0.21 -0.07 -0.25 0.00 0.00 175.52 175.31 2hgh h LEU 179 N 0.28 0.62 -0.08 3.87 3.38 -1.78 0.18 115.31 121.77 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 0.13 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2hgh h LEU 179 CO -0.16 0.55 -0.07 0.22 0.09 0.00 0.00 178.44 179.07 2hgh h TYR 180 N 0.69 0.22 -0.82 1.13 3.20 -1.23 -0.98 116.97 119.17 2hgh h TYR 180 Ca 0.17 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.99 2hgh h TYR 180 Cb 0.11 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 2hgh h TYR 180 CO 0.01 0.60 0.54 -0.07 -1.64 0.00 0.00 178.16 177.60 2hgh h LEU 181 N -0.23 0.94 -0.58 2.82 3.38 -0.78 0.15 115.31 121.01 2hgh h LEU 181 Ca 0.01 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2hgh h LEU 181 Cb 0.56 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2hgh h LEU 181 CO 0.02 0.68 0.10 0.11 0.09 0.00 0.00 178.44 179.44 2hgh h LYS 182 N 1.11 0.96 -0.61 1.13 1.57 -0.67 -0.86 116.57 119.20 2hgh h LYS 182 Ca 0.30 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2hgh h LYS 182 Cb -0.13 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 2hgh h LYS 182 CO -0.07 0.90 0.32 1.25 -0.57 0.00 0.00 179.45 181.29 2hgh h HIS 183 N 0.86 0.85 -0.43 -1.35 2.76 -0.61 -2.45 115.15 114.78 2hgh h HIS 183 Ca 0.18 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 2hgh h HIS 183 Cb 0.41 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 2hgh h HIS 183 CO 0.03 0.63 0.21 0.28 -1.30 0.00 0.00 177.93 177.78 2hgh h VAL 184 N 0.83 1.18 -0.21 5.26 2.07 -0.47 0.36 116.25 125.27 2hgh h VAL 184 Ca 0.21 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2hgh h VAL 184 Cb 0.07 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2hgh h VAL 184 CO -0.03 0.19 -0.03 0.00 0.02 0.00 0.00 177.57 177.72 2hgh h ALA 185 N 1.06 1.57 0.00 1.67 0.00 -0.97 0.61 119.26 123.21 2hgh h ALA 185 Ca 0.15 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 2hgh h ALA 185 Cb 0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2hgh h ALA 185 CO -0.02 0.31 -1.65 1.49 0.00 0.00 0.00 179.25 179.38 2hgh h GLU 186 N 0.30 0.00 0.00 0.00 4.81 -1.11 -3.31 114.58 115.27 2hgh h GLU 186 Ca 0.07 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2hgh h GLU 186 Cb 0.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 2hgh h GLU 186 CO 0.01 0.54 -1.55 0.00 -0.73 0.00 0.00 179.01 177.28 2hgh n HIS 188 N -1.95 0.00 -4.17 0.00 8.25 0.17 -5.05 115.22 112.47 2hgh n HIS 188 Ca -0.04 -0.17 -0.14 0.00 -0.26 0.00 0.00 57.72 57.11 2hgh n HIS 188 Cb 0.36 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.37 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 1.58 0.00 -0.41 -0.21 -0.96 -4.95 119.66 114.33 2hgh s GLN 189 Ca 0.01 -1.73 0.00 0.00 0.02 0.00 0.00 55.36 53.67 2hgh s GLN 189 Cb 0.01 0.35 0.00 0.00 1.00 0.00 0.00 33.01 34.38 2hgh s GLN 189 CO 0.00 -0.60 0.00 -3.47 -2.12 0.00 0.00 175.29 169.11