#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 3.03 -0.07 1.12 1.51 -0.15 -4.95 117.35 117.84 2hgh s TYR 105 Ca 0.00 -0.72 0.01 0.00 -1.01 0.00 0.00 57.07 55.36 2hgh s TYR 105 Cb 0.00 -2.18 -0.03 0.00 -0.11 0.00 0.00 41.96 39.65 2hgh s TYR 105 CO 0.00 -0.47 -0.09 0.08 -1.11 0.00 0.00 175.55 173.97 2hgh s VAL 106 N 1.54 3.55 -0.02 0.71 1.01 -1.26 -0.16 120.40 125.77 2hgh s VAL 106 Ca 0.06 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 2hgh s VAL 106 Cb -0.15 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 2hgh s VAL 106 CO 0.00 0.59 1.06 0.00 0.00 0.00 0.00 175.10 176.75 2hgh n HIS 108 N 4.31 1.20 -1.41 0.00 8.25 -1.26 -2.59 115.22 123.72 2hgh n HIS 108 Ca 0.08 -1.21 -0.35 0.00 -0.26 0.00 0.00 57.72 55.98 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 -3.02 1.99 -0.19 4.41 2.19 -1.26 -4.83 117.98 117.27 2hgh s PHE 109 Ca 0.45 1.60 -0.33 0.00 0.33 0.00 0.00 56.93 58.98 2hgh s PHE 109 Cb 0.38 -3.52 -0.10 0.00 -1.31 0.00 0.00 43.02 38.47 2hgh s PHE 109 CO 0.06 -2.74 2.06 -1.91 1.83 0.00 0.00 175.22 174.51 2hgh n GLU 110 N -2.71 1.86 -1.16 10.12 2.13 -1.26 -1.34 120.64 128.29 2hgh n GLU 110 Ca 0.14 0.61 -0.06 0.00 0.66 0.00 0.00 57.16 58.51 2hgh n GLU 110 Cb 0.50 -2.77 -0.02 0.00 0.27 0.00 0.00 31.44 29.41 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 8.88 -4.41 0.00 4.31 5.15 -1.26 -4.94 115.26 122.99 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 0.32 -2.40 0.00 0.00 -0.53 0.00 0.00 39.78 37.18 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 0.71 3.77 0.00 0.00 -1.07 -5.00 105.19 106.00 2hgh n GLY 113 Ca 0.00 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.90 4.16 -0.03 1.61 2.20 -1.25 -4.79 119.74 119.73 2hgh s LYS 114 Ca 0.00 1.95 0.06 0.00 -0.36 0.00 0.00 55.97 57.62 2hgh s LYS 114 Cb 0.00 -2.81 -0.01 0.00 -1.51 0.00 0.00 37.83 33.49 2hgh s LYS 114 CO 0.00 -0.26 -0.22 0.00 -0.36 0.00 0.00 175.35 174.51 2hgh s ALA 115 N -1.32 1.84 0.17 3.13 0.00 -1.26 -0.34 121.76 123.99 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 22.22 2hgh s ALA 115 CO 0.43 0.40 -0.16 -0.06 0.00 0.00 0.00 175.76 176.37 2hgh s PHE 116 N -0.32 1.72 0.24 0.00 0.40 0.77 -4.99 117.98 115.80 2hgh s PHE 116 Ca 0.03 -0.52 0.06 0.00 -0.60 0.00 0.00 56.93 55.90 2hgh s PHE 116 Cb -0.10 -0.84 0.26 0.00 0.51 0.00 0.00 43.02 42.85 2hgh s PHE 116 CO 0.01 0.32 1.56 1.57 0.70 0.00 0.00 175.22 179.38 2hgh h LYS 117 N 3.01 0.18 -4.37 0.44 2.10 -1.97 -0.36 116.57 115.60 2hgh h LYS 117 Ca -0.40 -0.13 -0.21 0.00 -2.00 0.00 0.00 60.65 57.92 2hgh h LYS 117 Cb 1.21 0.02 -0.19 0.00 -0.90 0.00 0.00 32.23 32.38 2hgh h LYS 117 CO 0.55 0.74 -0.71 0.15 -2.00 0.00 0.00 179.45 178.19 2hgh s LYS 118 N -3.69 0.55 0.40 0.07 1.02 -1.26 -4.54 119.74 112.29 2hgh s LYS 118 Ca -0.03 -0.93 0.16 0.00 0.02 0.00 0.00 55.97 55.19 2hgh s LYS 118 Cb 0.12 -0.07 0.84 0.00 -0.52 0.00 0.00 37.83 38.19 2hgh s LYS 118 CO 0.79 -0.02 1.86 1.12 -0.92 0.00 0.00 175.35 178.18 2hgh h HIS 119 N 3.96 0.00 -0.46 3.18 2.07 -1.91 -2.32 115.15 119.66 2hgh h HIS 119 Ca -0.34 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.12 2hgh h HIS 119 Cb 1.18 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.14 2hgh h HIS 119 CO 0.62 0.33 0.07 -0.91 -3.07 0.00 0.00 177.93 174.96 2hgh h ASN 120 N 0.00 0.67 -0.07 3.10 2.35 -1.99 0.15 115.58 119.79 2hgh h ASN 120 Ca -0.00 -0.13 -0.18 0.00 -0.55 0.00 0.00 56.30 55.44 2hgh h ASN 120 Cb 0.63 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 2hgh h ASN 120 CO 0.04 0.69 -0.60 1.56 -1.65 0.00 0.00 177.43 177.48 2hgh h GLN 121 N 0.69 0.67 -0.26 0.81 4.20 -1.87 -1.19 115.11 118.16 2hgh h GLN 121 Ca 0.15 -0.45 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 2hgh h GLN 121 Cb 0.32 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2hgh h GLN 121 CO 0.00 1.07 0.16 1.25 -0.67 0.00 0.00 178.83 180.65 2hgh h LEU 122 N 0.50 0.31 -0.99 1.46 5.85 -0.93 0.08 115.31 121.59 2hgh h LEU 122 Ca -0.00 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2hgh h LEU 122 Cb 1.18 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 2hgh h LEU 122 CO 0.12 0.26 0.32 0.11 -0.34 0.00 0.00 178.44 178.91 2hgh h LYS 123 N 0.34 1.04 -0.89 1.25 1.57 -0.68 -0.75 116.57 118.46 2hgh h LYS 123 Ca 0.10 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2hgh h LYS 123 Cb 0.00 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.08 2hgh h LYS 123 CO -0.02 0.83 0.59 0.28 -0.57 0.00 0.00 179.45 180.56 2hgh h VAL 124 N 1.03 1.22 -0.24 0.50 2.07 -0.83 -2.06 116.25 117.94 2hgh h VAL 124 Ca 0.25 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 2hgh h VAL 124 Cb 0.15 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 2hgh h VAL 124 CO -0.03 0.22 -0.12 -0.74 0.02 0.00 0.00 177.57 176.92 2hgh h HIS 125 N 1.20 0.59 -0.13 1.57 -0.00 -0.26 -3.16 115.15 114.96 2hgh h HIS 125 Ca 0.33 -0.15 -0.05 0.00 -0.00 0.00 0.00 60.37 60.50 2hgh h HIS 125 Cb -0.13 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.13 2hgh h HIS 125 CO -0.01 0.78 -0.13 1.96 -0.00 0.00 0.00 177.93 180.53 2hgh h GLN 126 N 0.22 0.20 -0.46 5.26 4.20 -0.97 -1.39 115.11 122.17 2hgh h GLN 126 Ca 0.05 -0.04 0.13 0.00 0.06 0.00 0.00 58.65 58.85 2hgh h GLN 126 Cb 0.63 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 2hgh h GLN 126 CO 0.04 0.34 0.36 0.27 -0.67 0.00 0.00 178.83 179.17 2hgh h PHE 127 N 0.19 0.00 -0.16 2.96 -5.15 -1.34 -0.69 116.94 112.76 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 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.52 2hgh h PHE 127 CO 0.00 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 -1.35 0.22 113.55 112.55 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 0.94 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 2hgh h SER 128 CO -0.00 0.63 0.05 0.45 -0.53 0.00 0.00 176.83 177.43 2hgh h HIS 129 N 0.01 0.76 0.00 2.24 3.86 -1.25 -2.36 115.15 118.41 2hgh h HIS 129 Ca 0.04 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2hgh h HIS 129 Cb 0.49 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2hgh h HIS 129 CO 0.06 0.68 -0.16 1.79 0.86 0.00 0.00 177.93 181.16 2hgh h THR 130 N 0.69 0.00 -4.33 2.45 1.35 -1.17 -3.47 112.91 108.43 2hgh h THR 130 Ca 0.15 -0.78 -0.34 0.00 -0.55 0.00 0.00 66.41 64.88 2hgh h THR 130 Cb 0.35 1.69 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 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 -2.69 -3.10 -4.21 4.72 -0.06 0.75 -5.00 117.38 107.78 2hgh n GLN 131 Ca 0.04 0.69 -0.16 0.00 -2.00 0.00 0.00 57.00 55.57 2hgh n GLN 131 Cb 0.49 -5.39 -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 0.95 -0.10 3.69 1.03 -1.04 -5.04 119.66 113.68 2hgh s GLN 132 Ca 0.18 -1.22 -0.14 0.00 0.04 0.00 0.00 55.36 54.21 2hgh s GLN 132 Cb -0.09 -0.71 -0.05 0.00 0.03 0.00 0.00 33.01 32.19 2hgh s GLN 132 CO 0.22 0.12 0.35 -0.51 -2.54 0.00 0.00 175.29 172.93 2hgh s LEU 133 N -2.52 4.33 0.05 2.60 1.43 -1.26 -4.60 118.68 118.70 2hgh s LEU 133 Ca 0.08 0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 53.75 2hgh s LEU 133 Cb -0.03 -2.47 -0.33 0.00 0.03 0.00 0.00 46.19 43.39 2hgh s LEU 133 CO 0.01 0.17 1.06 1.55 0.23 0.00 0.00 176.35 179.37 2hgh h PRO 134 N 5.98 0.45 -4.43 1.29 0.13 -1.88 -3.43 132.00 130.12 2hgh h PRO 134 Ca -0.45 -0.76 -0.74 0.00 -0.87 0.00 0.00 66.00 63.18 2hgh h PRO 134 Cb 1.19 0.28 -0.22 0.00 0.13 0.00 0.00 31.00 32.38 2hgh h PRO 134 CO 0.70 1.36 0.36 0.71 -0.23 0.00 0.00 178.00 180.90 2hgh s TYR 135 N -2.63 3.37 -0.01 1.56 2.02 -1.09 -4.97 117.35 115.60 2hgh s TYR 135 Ca -0.07 -1.56 -0.11 0.00 -0.37 0.00 0.00 57.07 54.96 2hgh s TYR 135 Cb 0.05 -4.02 -0.05 0.00 -0.40 0.00 0.00 41.96 37.54 2hgh s TYR 135 CO 0.93 -1.23 0.33 -2.00 -1.57 0.00 0.00 175.55 172.01 2hgh s GLU 136 N 1.59 3.74 -0.14 -0.62 2.12 -1.26 -0.10 118.70 124.03 2hgh s GLU 136 Ca 0.22 0.18 -0.29 0.00 0.36 0.00 0.00 54.97 55.43 2hgh s GLU 136 Cb -0.11 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 2hgh s GLU 136 CO -0.06 0.68 1.32 0.00 -0.54 0.00 0.00 175.26 176.66 2hgh n PRO 138 N 6.57 1.71 -1.93 0.00 -0.04 -1.26 -4.53 135.00 135.52 2hgh n PRO 138 Ca 0.14 -1.08 -0.40 0.00 -0.04 0.00 0.00 63.50 62.12 2hgh n PRO 138 Cb 0.45 -1.36 0.00 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 -1.74 2.66 -0.50 0.54 2.46 -1.26 -4.90 115.29 112.55 2hgh s HIS 139 Ca 0.30 1.33 -0.27 0.00 0.47 0.00 0.00 55.06 56.89 2hgh s HIS 139 Cb 0.16 -3.80 -0.02 0.00 -0.13 0.00 0.00 32.58 28.78 2hgh s HIS 139 CO 0.23 -2.50 1.88 -2.00 -2.47 0.00 0.00 174.74 169.88 2hgh s GLU 140 N -2.30 2.83 0.00 2.88 2.12 -1.26 -1.94 118.70 121.03 2hgh s GLU 140 Ca 0.58 0.96 0.00 0.00 0.36 0.00 0.00 54.97 56.86 2hgh s GLU 140 Cb -0.41 -4.34 0.00 0.00 0.26 0.00 0.00 34.13 29.64 2hgh s GLU 140 CO 0.53 -2.48 0.00 0.41 -0.54 0.00 0.00 175.26 173.19 2hgh n GLY 141 N 5.63 0.85 3.70 -1.50 0.00 -1.26 -5.12 105.19 107.49 2hgh n GLY 141 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.72 0.00 -4.76 0.00 5.75 -1.26 -4.76 116.55 110.80 2hgh n ASP 143 Ca -0.08 -1.10 -0.36 0.00 -0.01 0.00 0.00 54.79 53.24 2hgh n ASP 143 Cb 0.57 -0.02 0.02 0.00 -1.03 0.00 0.00 41.12 40.66 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 3.24 0.07 0.11 1.02 -1.26 -4.86 119.74 118.06 2hgh s LYS 144 Ca 0.00 1.83 0.02 0.00 0.02 0.00 0.00 55.97 57.84 2hgh s LYS 144 Cb 0.00 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 2hgh s LYS 144 CO 0.00 -0.99 -0.08 1.03 -0.92 0.00 0.00 175.35 174.39 2hgh s ARG 145 N -3.13 0.69 0.12 1.68 0.52 -1.26 -0.92 118.95 116.65 2hgh s ARG 145 Ca 0.73 -1.01 0.03 0.00 -0.52 0.00 0.00 55.73 54.96 2hgh s ARG 145 Cb -0.30 -0.32 -0.04 0.00 0.52 0.00 0.00 34.95 34.81 2hgh s ARG 145 CO 0.34 0.04 -0.08 -0.06 0.02 0.00 0.00 175.30 175.56 2hgh s PHE 146 N -2.25 1.05 -0.07 -0.53 0.40 0.86 -4.98 117.98 112.46 2hgh s PHE 146 Ca -0.00 -0.86 0.13 0.00 -0.60 0.00 0.00 56.93 55.60 2hgh s PHE 146 Cb -0.04 -0.57 -0.08 0.00 0.51 0.00 0.00 43.02 42.84 2hgh s PHE 146 CO -0.01 -0.06 1.19 0.66 0.70 0.00 0.00 175.22 177.69 2hgh h SER 147 N 2.88 0.00 -4.75 1.36 4.64 -1.97 -2.90 113.55 112.82 2hgh h SER 147 Ca -0.36 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.73 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 0.64 0.69 -0.71 -0.76 -0.87 0.00 0.00 176.83 175.83 2hgh s LEU 148 N -6.33 2.40 0.52 5.97 2.01 -1.26 -4.82 118.68 117.17 2hgh s LEU 148 Ca 0.01 -0.80 0.27 0.00 0.01 0.00 0.00 54.13 53.61 2hgh s LEU 148 Cb 0.08 -0.07 1.44 0.00 0.01 0.00 0.00 46.19 47.66 2hgh s LEU 148 CO 0.79 -0.37 2.07 1.55 1.01 0.00 0.00 176.35 181.40 2hgh h PRO 149 N 3.66 0.00 -0.44 1.29 0.13 -1.96 -2.21 132.00 132.49 2hgh h PRO 149 Ca -0.35 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.73 2hgh h PRO 149 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2hgh h PRO 149 CO 0.54 0.12 0.08 0.66 -0.23 0.00 0.00 178.00 179.17 2hgh h SER 150 N 0.00 0.68 -0.03 1.44 4.64 -1.98 0.61 113.55 118.91 2hgh h SER 150 Ca -0.00 -0.25 -0.14 0.00 -0.47 0.00 0.00 61.79 60.92 2hgh h SER 150 Cb 0.32 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2hgh h SER 150 CO 0.02 0.76 -0.45 0.03 -0.87 0.00 0.00 176.83 176.31 2hgh h ARG 151 N 0.58 0.57 -0.46 4.77 3.08 -1.84 -1.07 114.38 120.01 2hgh h ARG 151 Ca 0.13 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 2hgh h ARG 151 Cb 0.36 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2hgh h ARG 151 CO 0.01 0.91 0.14 1.25 -1.07 0.00 0.00 179.97 181.21 2hgh h LEU 152 N 0.46 0.66 -1.09 3.04 5.85 -1.30 -1.10 115.31 121.83 2hgh h LEU 152 Ca 0.03 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 2hgh h LEU 152 Cb 0.97 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 2hgh h LEU 152 CO 0.09 0.69 -0.01 0.11 -0.34 0.00 0.00 178.44 178.98 2hgh h LYS 153 N 0.60 0.63 -0.62 1.25 1.79 -0.64 0.25 116.57 119.83 2hgh h LYS 153 Ca 0.15 -0.15 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 2hgh h LYS 153 Cb 0.26 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2hgh h LYS 153 CO -0.00 0.65 0.04 0.00 -1.08 0.00 0.00 179.45 179.06 2hgh h ARG 154 N 0.59 1.06 -0.58 3.15 2.47 -1.01 -2.69 114.38 117.38 2hgh h ARG 154 Ca 0.12 -0.32 -0.09 0.00 -1.26 0.00 0.00 59.98 58.43 2hgh h ARG 154 Cb 0.39 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.58 2hgh h ARG 154 CO 0.01 1.02 0.01 1.25 0.56 0.00 0.00 179.97 182.82 2hgh h HIS 155 N 0.97 1.08 -0.24 3.04 2.76 -0.58 -2.87 115.15 119.31 2hgh h HIS 155 Ca 0.18 -0.17 0.03 0.00 -2.20 0.00 0.00 60.37 58.21 2hgh h HIS 155 Cb 0.51 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 2hgh h HIS 155 CO 0.04 0.96 0.17 1.49 -1.30 0.00 0.00 177.93 179.28 2hgh h GLU 156 N 0.92 0.18 -0.02 5.26 4.81 -0.22 0.37 114.58 125.89 2hgh h GLU 156 Ca 0.17 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2hgh h GLU 156 Cb 0.52 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 2hgh h GLU 156 CO 0.03 0.12 0.02 -0.22 -0.73 0.00 0.00 179.01 178.22 2hgh h LYS 157 N 0.18 0.00 -0.58 1.92 1.63 -1.25 -1.44 116.57 117.03 2hgh h LYS 157 Ca 0.10 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 2hgh h LYS 157 Cb 0.19 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 2hgh h LYS 157 CO -0.02 0.00 0.31 0.28 -3.45 0.00 0.00 179.45 176.57 2hgh h VAL 158 N 0.00 1.19 0.00 2.00 2.07 -1.03 -0.44 116.25 120.04 2hgh h VAL 158 Ca 0.01 -0.51 -0.15 0.00 0.82 0.00 0.00 66.70 66.87 2hgh h VAL 158 Cb 0.04 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2hgh h VAL 158 CO -0.00 0.21 -0.73 0.45 0.02 0.00 0.00 177.57 177.52 2hgh h HIS 159 N 0.79 0.00 0.00 1.57 3.86 -1.41 -3.03 115.15 116.94 2hgh h HIS 159 Ca 0.20 0.00 -0.08 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 28.52 2hgh h HIS 159 CO -0.01 0.73 -0.36 0.00 0.86 0.00 0.00 177.93 179.15 2hgh h ALA 160 N 1.27 1.06 0.00 2.45 0.00 -1.00 -3.50 119.26 119.54 2hgh h ALA 160 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2hgh h ALA 160 Cb 1.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2hgh h ALA 160 CO 0.10 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2hgh n GLY 161 N 0.07 -0.60 2.89 0.00 0.00 -0.20 -4.92 105.19 102.43 2hgh n GLY 161 Ca -0.01 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.11 2.86 0.34 1.61 1.51 -0.01 -4.86 117.35 116.69 2hgh s TYR 162 Ca 0.00 -2.73 -0.24 0.00 -1.01 0.00 0.00 57.07 53.09 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 0.92 -1.25 -1.11 0.00 0.00 175.55 173.27 2hgh s PRO 163 N 0.54 4.46 0.25 -1.71 0.04 -1.26 -1.17 135.00 136.15 2hgh s PRO 163 Ca 0.14 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 2hgh s PRO 163 Cb -0.22 -2.65 -0.09 0.00 0.04 0.00 0.00 34.50 31.58 2hgh s PRO 163 CO -0.07 0.21 1.12 0.00 0.04 0.00 0.00 177.00 178.31 2hgh n LYS 165 N 1.55 0.34 0.27 0.00 4.76 -1.26 -4.78 118.16 119.04 2hgh n LYS 165 Ca 0.00 -0.79 0.15 0.00 -2.87 0.00 0.00 58.31 54.81 2hgh n LYS 165 Cb 0.45 -0.58 0.70 0.00 -1.84 0.00 0.00 35.03 33.75 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 -2.91 1.97 1.79 -1.99 -3.43 116.57 111.99 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 1.05 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.46 2hgh h LYS 166 CO 0.00 0.08 -0.30 0.34 -1.08 0.00 0.00 179.45 178.49 2hgh s ASP 167 N -5.84 -0.33 0.54 0.86 -1.08 -1.26 -5.05 116.67 104.51 2hgh s ASP 167 Ca -0.00 0.60 0.32 0.00 -0.52 0.00 0.00 52.55 52.94 2hgh s ASP 167 Cb 0.10 0.64 1.53 0.00 -1.46 0.00 0.00 42.92 43.74 2hgh s ASP 167 CO 0.56 -0.18 2.07 -2.24 0.52 0.00 0.00 175.17 175.90 2hgh h ASP 168 N 5.30 0.00 -0.58 -0.34 3.04 -1.96 -2.29 116.42 119.60 2hgh h ASP 168 Ca -0.27 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 2hgh h ASP 168 Cb 1.18 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 2hgh h ASP 168 CO 0.31 0.08 0.00 -1.20 -2.04 0.00 0.00 179.24 176.39 2hgh n SER 169 N -3.36 5.63 -4.96 4.15 7.64 -1.26 -4.93 113.62 116.52 2hgh n SER 169 Ca -0.01 -2.89 -0.22 0.00 1.01 0.00 0.00 58.87 56.76 2hgh n SER 169 Cb 0.25 -0.67 -0.00 0.00 -1.01 0.00 0.00 64.21 62.78 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 -1.80 0.00 -4.76 0.00 3.41 -1.26 -5.00 113.62 104.21 2hgh n SER 171 Ca -0.02 -1.00 -0.41 0.00 -0.26 0.00 0.00 58.87 57.18 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 3.06 -0.11 7.33 2.19 -1.26 -4.88 117.98 124.31 2hgh s PHE 172 Ca 0.00 1.28 0.00 0.00 0.33 0.00 0.00 56.93 58.55 2hgh s PHE 172 Cb 0.00 -3.71 0.02 0.00 -1.31 0.00 0.00 43.02 38.02 2hgh s PHE 172 CO 0.00 -2.10 -0.10 0.08 1.83 0.00 0.00 175.22 174.93 2hgh s VAL 173 N -0.69 1.16 0.12 3.12 1.01 -1.26 -0.73 120.40 123.13 2hgh s VAL 173 Ca 0.53 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 2hgh s VAL 173 Cb -0.40 -1.13 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 2hgh s VAL 173 CO 0.49 0.38 0.72 -0.83 0.00 0.00 0.00 175.10 175.86 2hgh s GLY 174 N 1.45 2.83 0.47 4.51 0.00 -0.32 -4.82 107.32 111.45 2hgh s GLY 174 Ca 0.01 0.26 0.31 0.00 0.00 0.00 0.00 44.72 45.30 2hgh s GLY 174 CO -0.06 0.80 1.92 0.50 0.00 0.00 0.00 173.10 176.26 2hgh h LYS 175 N 4.62 0.00 -3.76 2.90 1.79 -1.89 0.02 116.57 120.25 2hgh h LYS 175 Ca -0.47 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 57.92 2hgh h LYS 175 Cb 1.21 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.72 2hgh h LYS 175 CO 0.66 0.00 -0.33 0.95 -1.08 0.00 0.00 179.45 179.65 2hgh s THR 176 N -3.58 0.13 0.29 -0.16 -4.23 -1.26 -4.67 115.64 102.16 2hgh s THR 176 Ca 0.02 -1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 59.41 2hgh s THR 176 Cb 0.09 -1.34 0.27 0.00 1.34 0.00 0.00 72.50 72.87 2hgh s THR 176 CO 0.49 -0.60 1.92 -0.25 -0.54 0.00 0.00 174.62 175.64 2hgh h TRP 177 N 2.69 1.09 -0.44 3.99 -0.00 -1.94 -1.91 115.95 119.43 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 1.21 -0.36 -0.04 0.00 -0.00 0.00 0.00 29.16 29.97 2hgh h TRP 177 CO 0.41 0.60 0.22 1.79 -0.00 0.00 0.00 178.44 181.46 2hgh h THR 178 N 1.10 0.96 -0.46 2.65 1.35 -1.98 -1.49 112.91 115.04 2hgh h THR 178 Ca 0.38 -0.15 -0.03 0.00 -0.55 0.00 0.00 66.41 66.07 2hgh h THR 178 Cb 0.12 0.49 -0.02 0.00 -1.73 0.00 0.00 68.15 67.00 2hgh h THR 178 CO -0.13 0.08 0.18 -0.07 -0.25 0.00 0.00 175.52 175.33 2hgh h LEU 179 N 0.44 0.60 -0.07 3.87 3.38 -1.75 0.20 115.31 121.97 2hgh h LEU 179 Ca 0.19 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2hgh h LEU 179 Cb 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2hgh h LEU 179 CO -0.14 0.55 -0.06 0.22 0.09 0.00 0.00 178.44 179.10 2hgh h TYR 180 N 0.66 0.20 -0.92 1.13 3.20 -1.25 -0.67 116.97 119.31 2hgh h TYR 180 Ca 0.16 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2hgh h TYR 180 Cb 0.14 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 2hgh h TYR 180 CO 0.01 0.59 0.60 -0.07 -1.64 0.00 0.00 178.16 177.65 2hgh h LEU 181 N -0.25 1.07 -0.59 2.82 3.38 -0.86 0.51 115.31 121.39 2hgh h LEU 181 Ca 0.01 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2hgh h LEU 181 Cb 0.55 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2hgh h LEU 181 CO 0.02 0.79 0.13 0.50 0.09 0.00 0.00 178.44 179.96 2hgh h LYS 182 N 1.25 0.95 -0.66 1.13 3.64 -0.61 -2.00 116.57 120.28 2hgh h LYS 182 Ca 0.34 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2hgh h LYS 182 Cb -0.13 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.54 2hgh h LYS 182 CO -0.07 0.88 0.34 1.25 -2.27 0.00 0.00 179.45 179.59 2hgh h HIS 183 N 0.86 0.92 -0.45 1.91 2.76 -0.39 -2.82 115.15 117.94 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 0.37 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 2hgh h HIS 183 CO 0.03 0.67 0.25 0.28 -1.30 0.00 0.00 177.93 177.85 2hgh h VAL 184 N 0.90 1.16 -0.17 5.26 2.07 -0.70 0.11 116.25 124.89 2hgh h VAL 184 Ca 0.23 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2hgh h VAL 184 Cb 0.07 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2hgh h VAL 184 CO -0.03 0.17 -0.05 0.00 0.02 0.00 0.00 177.57 177.68 2hgh h ALA 185 N 1.09 1.61 0.08 1.67 0.00 -1.19 0.09 119.26 122.62 2hgh h ALA 185 Ca 0.16 -0.15 -0.30 0.00 0.00 0.00 0.00 54.91 54.62 2hgh h ALA 185 Cb 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2hgh h ALA 185 CO -0.03 0.29 -1.64 0.93 0.00 0.00 0.00 179.25 178.80 2hgh h GLU 186 N 0.24 0.18 0.00 0.00 4.39 -1.25 -3.16 114.58 114.98 2hgh h GLU 186 Ca 0.05 -0.30 -0.02 0.00 0.34 0.00 0.00 59.36 59.43 2hgh h GLU 186 Cb 0.25 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2hgh h GLU 186 CO 0.01 1.15 -1.29 0.00 -1.16 0.00 0.00 179.01 177.72 2hgh n HIS 188 N -2.59 0.00 -4.07 0.00 8.25 -0.09 -5.04 115.22 111.67 2hgh n HIS 188 Ca -0.02 -0.02 -0.30 0.00 -0.26 0.00 0.00 57.72 57.12 2hgh n HIS 188 Cb 0.58 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.02 -3.24 0.00 -0.41 6.02 -0.57 -4.96 117.38 114.21 2hgh n GLN 189 Ca 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 2hgh n GLN 189 Cb 0.14 -4.75 0.00 0.00 1.02 0.00 0.00 30.24 26.66 2hgh n GLN 189 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58