#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 -0.22 -4.93 117.35 117.78 2hgh s TYR 105 Ca 0.00 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 55.53 2hgh s TYR 105 Cb 0.00 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 2hgh s TYR 105 CO 0.00 -0.30 -0.08 0.08 -1.11 0.00 0.00 175.55 174.14 2hgh s VAL 106 N 1.09 3.58 0.02 0.71 1.01 -1.26 -0.18 120.40 125.37 2hgh s VAL 106 Ca 0.02 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 2hgh s VAL 106 Cb -0.14 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2hgh s VAL 106 CO 0.01 0.59 1.01 0.00 0.00 0.00 0.00 175.10 176.71 2hgh n HIS 108 N 3.77 0.98 -1.28 0.00 8.25 -1.26 -2.63 115.22 123.05 2hgh n HIS 108 Ca 0.06 -1.24 -0.34 0.00 -0.26 0.00 0.00 57.72 55.94 2hgh n HIS 108 Cb 0.50 -0.40 0.11 0.00 1.12 0.00 0.00 29.99 31.33 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 -3.04 1.92 -0.17 4.41 2.19 -1.26 -4.83 117.98 117.20 2hgh s PHE 109 Ca 0.43 1.63 -0.32 0.00 0.33 0.00 0.00 56.93 59.00 2hgh s PHE 109 Cb 0.37 -3.49 -0.09 0.00 -1.31 0.00 0.00 43.02 38.50 2hgh s PHE 109 CO 0.04 -2.76 2.07 -1.91 1.83 0.00 0.00 175.22 174.49 2hgh n GLU 110 N -2.99 1.97 -1.15 10.12 4.07 -1.26 -1.41 120.64 129.99 2hgh n GLU 110 Ca 0.14 0.64 -0.05 0.00 -0.06 0.00 0.00 57.16 57.82 2hgh n GLU 110 Cb 0.50 -2.84 -0.02 0.00 -0.06 0.00 0.00 31.44 29.02 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 9.05 -4.40 0.00 4.31 5.15 -1.26 -4.94 115.26 123.17 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 -2.36 0.00 0.00 -0.53 0.00 0.00 39.78 37.23 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 0.54 3.77 0.00 0.00 -1.08 -5.00 105.19 105.82 2hgh n GLY 113 Ca 0.00 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.41 4.03 -0.03 1.61 2.20 -1.25 -4.78 119.74 120.11 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 -2.69 -0.01 0.00 -1.51 0.00 0.00 37.83 33.62 2hgh s LYS 114 CO 0.00 -0.36 -0.21 0.00 -0.36 0.00 0.00 175.35 174.42 2hgh s ALA 115 N -1.38 1.78 0.17 3.13 0.00 -1.26 -0.30 121.76 123.90 2hgh s ALA 115 Ca 0.57 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.71 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 0.40 -0.16 -0.06 0.00 0.00 0.00 175.76 176.35 2hgh s PHE 116 N -0.36 1.71 0.17 0.00 0.40 0.74 -4.97 117.98 115.68 2hgh s PHE 116 Ca 0.04 -0.52 -0.11 0.00 -0.60 0.00 0.00 56.93 55.75 2hgh s PHE 116 Cb -0.10 -0.84 0.06 0.00 0.51 0.00 0.00 43.02 42.65 2hgh s PHE 116 CO 0.00 0.31 1.65 -0.22 0.70 0.00 0.00 175.22 177.66 2hgh h LYS 117 N 3.08 0.99 -4.88 0.44 3.64 -1.97 -0.56 116.57 117.30 2hgh h LYS 117 Ca -0.40 -0.28 -0.36 0.00 -1.27 0.00 0.00 60.65 58.33 2hgh h LYS 117 Cb 1.21 -0.11 -0.24 0.00 -0.41 0.00 0.00 32.23 32.68 2hgh h LYS 117 CO 0.54 0.95 -0.77 0.15 -2.27 0.00 0.00 179.45 178.06 2hgh s LYS 118 N -5.14 0.70 0.48 1.90 -0.14 -1.26 -4.54 119.74 111.74 2hgh s LYS 118 Ca -0.12 -0.65 0.18 0.00 -1.36 0.00 0.00 55.97 54.02 2hgh s LYS 118 Cb 0.13 -0.62 1.18 0.00 -1.68 0.00 0.00 37.83 36.84 2hgh s LYS 118 CO 0.83 0.15 2.04 1.12 -0.76 0.00 0.00 175.35 178.74 2hgh h HIS 119 N 4.98 0.00 -0.21 3.18 2.07 -1.92 -1.01 115.15 122.25 2hgh h HIS 119 Ca -0.35 0.00 -0.05 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 0.55 0.14 -0.08 -0.91 -3.07 0.00 0.00 177.93 174.56 2hgh h ASN 120 N 0.00 0.30 0.03 3.10 2.35 -1.99 0.13 115.58 119.50 2hgh h ASN 120 Ca -0.00 -0.06 -0.20 0.00 -0.55 0.00 0.00 56.30 55.50 2hgh h ASN 120 Cb 0.27 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2hgh h ASN 120 CO 0.02 0.42 -0.71 1.56 -1.65 0.00 0.00 177.43 177.06 2hgh h GLN 121 N 0.31 0.61 -0.28 0.81 4.20 -1.63 -1.47 115.11 117.66 2hgh h GLN 121 Ca 0.07 -0.47 -0.00 0.00 0.06 0.00 0.00 58.65 58.30 2hgh h GLN 121 Cb 0.34 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2hgh h GLN 121 CO 0.02 1.09 0.17 1.25 -0.67 0.00 0.00 178.83 180.69 2hgh h LEU 122 N 0.43 0.33 -0.86 1.46 5.85 -0.86 0.64 115.31 122.29 2hgh h LEU 122 Ca -0.03 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.67 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 0.28 0.56 0.11 -0.34 0.00 0.00 178.44 179.19 2hgh h LYS 123 N 0.35 1.08 -0.88 1.25 1.57 -0.76 -1.26 116.57 117.93 2hgh h LYS 123 Ca 0.10 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2hgh h LYS 123 Cb 0.01 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.03 2hgh h LYS 123 CO -0.02 0.71 0.57 0.28 -0.57 0.00 0.00 179.45 180.42 2hgh h VAL 124 N 1.11 1.23 -0.30 0.50 2.07 -0.76 -2.25 116.25 117.85 2hgh h VAL 124 Ca 0.34 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 2hgh h VAL 124 Cb -0.04 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.67 2hgh h VAL 124 CO -0.10 0.22 -0.06 -0.74 0.02 0.00 0.00 177.57 176.91 2hgh h HIS 125 N 1.19 0.64 -0.13 1.57 -0.00 -0.20 -3.06 115.15 115.15 2hgh h HIS 125 Ca 0.32 -0.13 -0.05 0.00 -0.00 0.00 0.00 60.37 60.51 2hgh h HIS 125 Cb -0.12 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.12 2hgh h HIS 125 CO -0.01 0.75 -0.12 1.96 -0.00 0.00 0.00 177.93 180.51 2hgh h GLN 126 N 0.33 0.20 -0.46 5.26 4.20 -1.07 -1.15 115.11 122.43 2hgh h GLN 126 Ca 0.08 -0.04 0.13 0.00 0.06 0.00 0.00 58.65 58.88 2hgh h GLN 126 Cb 0.54 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 2hgh h GLN 126 CO 0.03 0.34 0.36 0.27 -0.67 0.00 0.00 178.83 179.16 2hgh h PHE 127 N 0.19 0.00 -0.13 2.96 -5.15 -1.30 -0.70 116.94 112.81 2hgh h PHE 127 Ca 0.04 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.77 2hgh h PHE 127 Cb 0.35 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.51 2hgh h PHE 127 CO 0.00 0.00 -0.07 1.03 -2.00 0.00 0.00 178.31 177.28 2hgh h SER 128 N 0.00 0.29 -0.43 -0.68 0.87 -1.28 0.23 113.55 112.55 2hgh h SER 128 Ca 0.22 -0.41 -0.05 0.00 -1.23 0.00 0.00 61.79 60.32 2hgh h SER 128 Cb 0.94 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.80 2hgh h SER 128 CO -0.00 0.64 0.11 0.45 -0.53 0.00 0.00 176.83 177.49 2hgh h HIS 129 N -0.06 0.77 0.00 2.24 3.86 -1.24 -2.23 115.15 118.49 2hgh h HIS 129 Ca 0.03 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2hgh h HIS 129 Cb 0.53 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.77 2hgh h HIS 129 CO 0.07 0.66 -0.17 1.79 0.86 0.00 0.00 177.93 181.14 2hgh h THR 130 N 0.73 0.00 -4.36 2.45 1.35 -1.15 -3.48 112.91 108.46 2hgh h THR 130 Ca 0.16 -0.81 -0.35 0.00 -0.55 0.00 0.00 66.41 64.86 2hgh h THR 130 Cb 0.29 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 2hgh h THR 130 CO 0.00 0.00 -0.49 1.67 -0.25 0.00 0.00 175.52 176.45 2hgh n GLN 131 N -2.73 -3.19 -4.22 4.72 -0.06 0.78 -5.00 117.38 107.68 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 -5.41 -0.11 0.00 -4.06 0.00 0.00 30.24 21.16 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 -5.49 0.98 -0.12 3.69 1.03 -1.02 -5.04 119.66 113.69 2hgh s GLN 132 Ca 0.19 -1.25 -0.14 0.00 0.04 0.00 0.00 55.36 54.20 2hgh s GLN 132 Cb -0.10 -0.74 -0.05 0.00 0.03 0.00 0.00 33.01 32.16 2hgh s GLN 132 CO 0.24 0.13 0.34 -0.51 -2.54 0.00 0.00 175.29 172.95 2hgh s LEU 133 N -2.59 4.30 0.08 2.60 1.43 -1.26 -4.60 118.68 118.64 2hgh s LEU 133 Ca 0.09 0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 53.76 2hgh s LEU 133 Cb -0.03 -2.45 -0.26 0.00 0.03 0.00 0.00 46.19 43.48 2hgh s LEU 133 CO 0.02 0.14 1.15 1.55 0.23 0.00 0.00 176.35 179.43 2hgh h PRO 134 N 6.22 0.41 -3.93 1.29 0.13 -1.90 -3.42 132.00 130.80 2hgh h PRO 134 Ca -0.44 -0.61 -0.78 0.00 -0.87 0.00 0.00 66.00 63.30 2hgh h PRO 134 Cb 1.18 0.21 -0.25 0.00 0.13 0.00 0.00 31.00 32.27 2hgh h PRO 134 CO 0.72 1.26 0.07 0.71 -0.23 0.00 0.00 178.00 180.54 2hgh s TYR 135 N -2.84 3.65 -0.04 1.56 2.02 -1.13 -4.99 117.35 115.60 2hgh s TYR 135 Ca -0.06 -1.85 -0.07 0.00 -0.37 0.00 0.00 57.07 54.72 2hgh s TYR 135 Cb 0.07 -3.84 -0.04 0.00 -0.40 0.00 0.00 41.96 37.75 2hgh s TYR 135 CO 0.90 -1.02 0.22 -1.83 -1.57 0.00 0.00 175.55 172.26 2hgh s GLU 136 N 0.51 3.54 -0.14 -0.62 -1.05 -1.26 -0.11 118.70 119.56 2hgh s GLU 136 Ca 0.16 -0.10 -0.29 0.00 -0.15 0.00 0.00 54.97 54.59 2hgh s GLU 136 Cb -0.13 -3.13 -0.02 0.00 -0.44 0.00 0.00 34.13 30.41 2hgh s GLU 136 CO -0.07 0.70 1.33 0.00 0.95 0.00 0.00 175.26 178.17 2hgh n PRO 138 N 6.64 1.95 -2.43 0.00 -0.04 -1.26 -4.47 135.00 135.39 2hgh n PRO 138 Ca 0.14 -1.44 -0.34 0.00 -0.04 0.00 0.00 63.50 61.82 2hgh n PRO 138 Cb 0.45 -1.40 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.65 2.93 0.23 0.54 3.76 -1.26 -4.98 115.29 114.86 2hgh s HIS 139 Ca 0.33 1.56 -0.30 0.00 -0.15 0.00 0.00 55.06 56.50 2hgh s HIS 139 Cb 0.18 -3.10 -0.10 0.00 1.11 0.00 0.00 32.58 30.67 2hgh s HIS 139 CO 0.26 -1.00 1.48 -1.83 -0.85 0.00 0.00 174.74 172.79 2hgh s GLU 140 N -3.35 4.24 0.00 1.40 -1.05 -1.26 -2.40 118.70 116.28 2hgh s GLU 140 Ca 0.68 2.33 0.00 0.00 -0.15 0.00 0.00 54.97 57.83 2hgh s GLU 140 Cb -0.18 -3.12 0.00 0.00 -0.44 0.00 0.00 34.13 30.40 2hgh s GLU 140 CO 0.23 -0.48 0.00 0.41 0.95 0.00 0.00 175.26 176.38 2hgh n GLY 141 N 2.56 0.82 3.41 -3.83 0.00 -1.26 -5.03 105.19 101.87 2hgh n GLY 141 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 0.48 0.00 -4.75 0.00 2.03 -1.26 -4.71 116.55 108.34 2hgh n ASP 143 Ca -0.14 -1.35 -0.36 0.00 0.52 0.00 0.00 54.79 53.46 2hgh n ASP 143 Cb 0.55 -0.07 0.04 0.00 -0.72 0.00 0.00 41.12 40.92 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 2.96 0.05 -0.67 1.02 -1.26 -4.81 119.74 117.04 2hgh s LYS 144 Ca 0.00 1.89 0.03 0.00 0.02 0.00 0.00 55.97 57.90 2hgh s LYS 144 Cb 0.00 -1.96 -0.03 0.00 -0.52 0.00 0.00 37.83 35.32 2hgh s LYS 144 CO 0.00 -1.23 -0.08 1.03 -0.92 0.00 0.00 175.35 174.15 2hgh s ARG 145 N -3.28 0.61 0.11 1.68 0.52 -1.26 -0.50 118.95 116.84 2hgh s ARG 145 Ca 0.77 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 55.15 2hgh s ARG 145 Cb -0.32 -0.35 -0.04 0.00 0.52 0.00 0.00 34.95 34.75 2hgh s ARG 145 CO 0.35 0.06 -0.08 -0.06 0.02 0.00 0.00 175.30 175.59 2hgh s PHE 146 N -1.66 1.04 -0.59 -0.53 0.40 0.84 -4.98 117.98 112.49 2hgh s PHE 146 Ca -0.06 -0.83 0.24 0.00 -0.60 0.00 0.00 56.93 55.68 2hgh s PHE 146 Cb -0.08 -0.56 0.32 0.00 0.51 0.00 0.00 43.02 43.21 2hgh s PHE 146 CO 0.00 -0.05 1.31 0.66 0.70 0.00 0.00 175.22 177.84 2hgh h SER 147 N 2.96 0.00 -5.08 1.36 4.64 -1.97 -2.98 113.55 112.48 2hgh h SER 147 Ca -0.36 -0.18 -0.14 0.00 -0.47 0.00 0.00 61.79 60.65 2hgh h SER 147 Cb 1.18 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.08 2hgh h SER 147 CO 0.63 0.09 -0.59 -0.76 -0.87 0.00 0.00 176.83 175.33 2hgh s LEU 148 N -4.42 2.00 0.37 5.97 1.43 -1.26 -4.85 118.68 117.91 2hgh s LEU 148 Ca 0.06 -0.58 0.10 0.00 -1.03 0.00 0.00 54.13 52.68 2hgh s LEU 148 Cb 0.13 0.43 0.71 0.00 0.03 0.00 0.00 46.19 47.48 2hgh s LEU 148 CO 0.72 -0.46 1.85 1.55 0.23 0.00 0.00 176.35 180.24 2hgh h PRO 149 N 3.85 0.18 -0.63 1.29 0.13 -1.95 -2.09 132.00 132.78 2hgh h PRO 149 Ca -0.32 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.70 2hgh h PRO 149 Cb 1.18 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2hgh h PRO 149 CO 0.50 0.42 0.18 0.66 -0.23 0.00 0.00 178.00 179.53 2hgh h SER 150 N 0.17 0.91 -0.20 1.44 4.64 -1.98 0.79 113.55 119.31 2hgh h SER 150 Ca 0.03 -0.17 -0.18 0.00 -0.47 0.00 0.00 61.79 61.00 2hgh h SER 150 Cb 0.52 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2hgh h SER 150 CO 0.04 0.87 -0.57 0.03 -0.87 0.00 0.00 176.83 176.33 2hgh h ARG 151 N 0.94 0.80 -0.29 4.77 3.08 -1.84 -0.82 114.38 121.01 2hgh h ARG 151 Ca 0.21 -0.52 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 2hgh h ARG 151 Cb 0.30 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2hgh h ARG 151 CO -0.00 1.15 0.12 1.25 -1.07 0.00 0.00 179.97 181.41 2hgh h LEU 152 N 0.61 0.41 -1.18 3.04 5.85 -1.23 -0.69 115.31 122.11 2hgh h LEU 152 Ca 0.01 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2hgh h LEU 152 Cb 1.16 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 2hgh h LEU 152 CO 0.12 0.46 0.41 0.11 -0.34 0.00 0.00 178.44 179.20 2hgh h LYS 153 N 0.33 0.97 -0.16 1.25 1.79 -0.71 0.16 116.57 120.19 2hgh h LYS 153 Ca 0.10 -0.09 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 2hgh h LYS 153 Cb 0.18 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 2hgh h LYS 153 CO -0.01 0.70 -0.42 -0.09 -1.08 0.00 0.00 179.45 178.54 2hgh h ARG 154 N 0.98 0.38 -0.36 3.15 2.43 -0.96 -2.91 114.38 117.10 2hgh h ARG 154 Ca 0.25 -0.19 -0.13 0.00 -0.81 0.00 0.00 59.98 59.10 2hgh h ARG 154 Cb -0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2hgh h ARG 154 CO -0.04 0.74 -0.31 1.25 -1.51 0.00 0.00 179.97 180.10 2hgh h HIS 155 N 0.32 0.92 -0.24 2.20 2.76 -0.02 -2.96 115.15 118.12 2hgh h HIS 155 Ca 0.03 -0.24 0.04 0.00 -2.20 0.00 0.00 60.37 57.99 2hgh h HIS 155 Cb 0.88 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 2hgh h HIS 155 CO 0.02 1.00 0.17 0.93 -1.30 0.00 0.00 177.93 178.75 2hgh h GLU 156 N 0.66 0.14 -0.03 5.26 5.08 -0.54 -0.05 114.58 125.11 2hgh h GLU 156 Ca 0.07 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2hgh h GLU 156 Cb 0.85 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2hgh h GLU 156 CO 0.07 0.09 0.03 -0.22 -1.00 0.00 0.00 179.01 177.99 2hgh h LYS 157 N 0.14 0.00 -0.65 2.33 1.63 -1.39 -1.14 116.57 117.49 2hgh h LYS 157 Ca 0.11 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 2hgh h LYS 157 Cb 0.24 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 2hgh h LYS 157 CO -0.02 0.00 0.35 0.28 -3.45 0.00 0.00 179.45 176.61 2hgh h VAL 158 N 0.00 1.21 0.00 2.00 2.07 -1.13 -1.00 116.25 119.40 2hgh h VAL 158 Ca 0.01 -0.54 -0.15 0.00 0.82 0.00 0.00 66.70 66.85 2hgh h VAL 158 Cb 0.08 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 2hgh h VAL 158 CO -0.00 0.23 -0.70 0.45 0.02 0.00 0.00 177.57 177.57 2hgh h HIS 159 N 0.89 0.00 0.00 1.57 3.86 -1.35 -2.95 115.15 117.17 2hgh h HIS 159 Ca 0.23 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.36 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 -0.01 0.70 -0.38 0.00 0.86 0.00 0.00 177.93 179.11 2hgh h ALA 160 N 1.30 1.07 0.00 2.45 0.00 -1.03 -3.50 119.26 119.56 2hgh h ALA 160 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2hgh h ALA 160 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2hgh h ALA 160 CO 0.09 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.23 2hgh n GLY 161 N 0.05 -0.04 2.88 0.00 0.00 -0.41 -4.92 105.19 102.75 2hgh n GLY 161 Ca -0.01 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.96 2.85 0.34 1.61 1.51 0.06 -4.86 117.35 116.90 2hgh s TYR 162 Ca 0.00 -2.71 -0.25 0.00 -1.01 0.00 0.00 57.07 53.10 2hgh s TYR 162 Cb 0.00 -2.46 -0.10 0.00 -0.11 0.00 0.00 41.96 39.29 2hgh s TYR 162 CO 0.00 -0.84 0.94 -1.25 -1.11 0.00 0.00 175.55 173.29 2hgh s PRO 163 N 0.55 4.51 0.25 -1.71 0.04 -1.26 -1.22 135.00 136.16 2hgh s PRO 163 Ca 0.14 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 2hgh s PRO 163 Cb -0.22 -2.69 -0.09 0.00 0.04 0.00 0.00 34.50 31.54 2hgh s PRO 163 CO -0.07 0.23 1.17 0.00 0.04 0.00 0.00 177.00 178.37 2hgh n LYS 165 N 1.59 0.35 0.26 0.00 4.76 -1.26 -4.76 118.16 119.09 2hgh n LYS 165 Ca 0.01 -0.80 0.14 0.00 -2.87 0.00 0.00 58.31 54.79 2hgh n LYS 165 Cb 0.44 -0.59 0.67 0.00 -1.84 0.00 0.00 35.03 33.71 2hgh n LYS 165 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2hgh h LYS 166 N 0.00 0.00 -2.76 1.97 1.79 -1.94 -3.44 116.57 112.19 2hgh h LYS 166 Ca 0.00 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 2hgh h LYS 166 Cb 1.05 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.48 2hgh h LYS 166 CO 0.00 0.12 -0.19 0.34 -1.08 0.00 0.00 179.45 178.64 2hgh s ASP 167 N -5.98 -0.36 0.46 0.86 -1.08 -1.26 -5.05 116.67 104.25 2hgh s ASP 167 Ca -0.01 0.51 0.20 0.00 -0.52 0.00 0.00 52.55 52.73 2hgh s ASP 167 Cb 0.11 0.59 1.11 0.00 -1.46 0.00 0.00 42.92 43.28 2hgh s ASP 167 CO 0.58 -0.33 1.97 -0.78 0.52 0.00 0.00 175.17 177.13 2hgh h ASP 168 N 4.49 0.00 -0.44 -0.34 3.58 -1.96 -2.51 116.42 119.24 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 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2hgh h ASP 168 CO 0.33 0.21 0.00 -1.54 -2.88 0.00 0.00 179.24 175.36 2hgh n SER 169 N -3.88 3.71 -4.47 2.28 3.41 -1.26 -4.85 113.62 108.55 2hgh n SER 169 Ca -0.02 -2.41 -0.33 0.00 -0.26 0.00 0.00 58.87 55.85 2hgh n SER 169 Cb 0.30 -0.52 -0.13 0.00 -0.26 0.00 0.00 64.21 63.60 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 2.70 0.64 -4.78 0.00 7.64 -1.26 -4.83 113.62 113.73 2hgh n SER 171 Ca -0.18 -1.91 -0.41 0.00 1.01 0.00 0.00 58.87 57.38 2hgh n SER 171 Cb 0.52 -0.16 -0.01 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 -0.62 2.69 -0.10 1.43 2.19 -1.26 -4.83 117.98 117.47 2hgh s PHE 172 Ca 0.06 1.20 0.01 0.00 0.33 0.00 0.00 56.93 58.52 2hgh s PHE 172 Cb 0.05 -3.96 0.02 0.00 -1.31 0.00 0.00 43.02 37.82 2hgh s PHE 172 CO 0.01 -2.79 -0.10 0.08 1.83 0.00 0.00 175.22 174.25 2hgh s VAL 173 N -1.08 1.15 0.10 3.12 1.01 -1.26 -0.51 120.40 122.94 2hgh s VAL 173 Ca 0.52 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 2hgh s VAL 173 Cb -0.45 -1.12 -0.07 0.00 0.00 0.00 0.00 36.38 34.74 2hgh s VAL 173 CO 0.60 0.38 0.65 -0.83 0.00 0.00 0.00 175.10 175.90 2hgh s GLY 174 N 1.35 2.76 0.43 4.51 0.00 -0.36 -4.82 107.32 111.19 2hgh s GLY 174 Ca -0.01 0.15 0.30 0.00 0.00 0.00 0.00 44.72 45.16 2hgh s GLY 174 CO -0.05 0.63 1.88 0.50 0.00 0.00 0.00 173.10 176.06 2hgh h LYS 175 N 4.54 0.00 -3.71 2.90 1.57 -1.89 0.20 116.57 120.18 2hgh h LYS 175 Ca -0.48 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.22 2hgh h LYS 175 Cb 1.21 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.39 2hgh h LYS 175 CO 0.65 0.00 -0.27 0.95 -0.57 0.00 0.00 179.45 180.20 2hgh s THR 176 N -3.54 0.10 0.26 -0.16 -4.23 -1.26 -4.66 115.64 102.15 2hgh s THR 176 Ca 0.02 -1.08 -0.03 0.00 -1.18 0.00 0.00 61.69 59.42 2hgh s THR 176 Cb 0.09 -1.44 0.26 0.00 1.34 0.00 0.00 72.50 72.76 2hgh s THR 176 CO 0.47 -0.47 1.89 -0.25 -0.54 0.00 0.00 174.62 175.72 2hgh h TRP 177 N 2.59 1.19 -0.53 3.99 -0.00 -1.94 -1.96 115.95 119.29 2hgh h TRP 177 Ca -0.33 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.63 2hgh h TRP 177 Cb 1.22 -0.39 -0.04 0.00 -0.00 0.00 0.00 29.16 29.94 2hgh h TRP 177 CO 0.39 0.64 0.28 1.79 -0.00 0.00 0.00 178.44 181.54 2hgh h THR 178 N 1.19 0.97 -0.46 2.65 1.35 -1.98 -1.47 112.91 115.15 2hgh h THR 178 Ca 0.42 -0.18 -0.04 0.00 -0.55 0.00 0.00 66.41 66.06 2hgh h THR 178 Cb 0.12 0.38 -0.02 0.00 -1.73 0.00 0.00 68.15 66.90 2hgh h THR 178 CO -0.16 0.10 0.14 -0.07 -0.25 0.00 0.00 175.52 175.28 2hgh h LEU 179 N 0.54 0.62 -0.08 3.87 3.38 -1.75 0.20 115.31 122.08 2hgh h LEU 179 Ca 0.23 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 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 0.60 -0.05 0.22 0.09 0.00 0.00 178.44 179.14 2hgh h TYR 180 N 0.66 0.20 -0.85 1.13 3.20 -1.24 -0.61 116.97 119.46 2hgh h TYR 180 Ca 0.15 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2hgh h TYR 180 Cb 0.21 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 2hgh h TYR 180 CO 0.01 0.58 0.51 -0.07 -1.64 0.00 0.00 178.16 177.54 2hgh h LEU 181 N -0.23 1.02 -0.62 2.82 3.38 -0.90 0.59 115.31 121.38 2hgh h LEU 181 Ca 0.01 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2hgh h LEU 181 Cb 0.53 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2hgh h LEU 181 CO 0.01 0.79 0.16 0.50 0.09 0.00 0.00 178.44 180.00 2hgh h LYS 182 N 1.17 0.98 -0.68 1.13 3.64 -0.63 -1.77 116.57 120.41 2hgh h LYS 182 Ca 0.30 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2hgh h LYS 182 Cb -0.04 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 2hgh h LYS 182 CO -0.06 0.88 0.36 1.25 -2.27 0.00 0.00 179.45 179.61 2hgh h HIS 183 N 0.90 0.94 -0.44 1.91 2.76 -0.42 -2.50 115.15 118.30 2hgh h HIS 183 Ca 0.20 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2hgh h HIS 183 Cb 0.33 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 2hgh h HIS 183 CO 0.02 0.68 0.23 0.28 -1.30 0.00 0.00 177.93 177.84 2hgh h VAL 184 N 0.93 1.17 -0.24 5.26 2.07 -0.66 0.77 116.25 125.55 2hgh h VAL 184 Ca 0.24 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2hgh h VAL 184 Cb 0.06 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2hgh h VAL 184 CO -0.04 0.18 -0.01 0.00 0.02 0.00 0.00 177.57 177.72 2hgh h ALA 185 N 1.08 1.55 0.04 1.67 0.00 -1.11 0.21 119.26 122.69 2hgh h ALA 185 Ca 0.15 -0.15 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 2hgh h ALA 185 Cb 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2hgh h ALA 185 CO -0.02 0.33 -1.72 1.49 0.00 0.00 0.00 179.25 179.32 2hgh h GLU 186 N 0.34 0.08 0.00 0.00 4.81 -1.09 -3.16 114.58 115.55 2hgh h GLU 186 Ca 0.08 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2hgh h GLU 186 Cb 0.24 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2hgh h GLU 186 CO 0.01 0.72 -1.61 0.00 -0.73 0.00 0.00 179.01 177.40 2hgh n HIS 188 N -1.96 0.00 -1.07 0.00 8.25 0.03 -4.74 115.22 115.72 2hgh n HIS 188 Ca -0.02 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 2hgh n HIS 188 Cb 0.36 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.16 0.01 0.00 -0.41 1.13 -0.98 -4.97 117.38 112.00 2hgh n GLN 189 Ca 0.00 -0.54 0.00 0.00 -1.94 0.00 0.00 57.00 54.52 2hgh n GLN 189 Cb 0.28 -0.50 0.00 0.00 0.11 0.00 0.00 30.24 30.13 2hgh n GLN 189 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15