#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 0.20 -4.94 117.35 118.19 2hgh s TYR 105 Ca 0.00 -0.61 0.01 0.00 -1.01 0.00 0.00 57.07 55.46 2hgh s TYR 105 Cb 0.00 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 2hgh s TYR 105 CO 0.00 -0.37 -0.09 0.08 -1.11 0.00 0.00 175.55 174.05 2hgh s VAL 106 N 1.31 3.48 -0.01 0.71 1.01 -1.26 -0.28 120.40 125.35 2hgh s VAL 106 Ca 0.04 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 2hgh s VAL 106 Cb -0.15 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2hgh s VAL 106 CO 0.01 0.59 1.08 0.00 0.00 0.00 0.00 175.10 176.78 2hgh n HIS 108 N 4.35 1.23 -1.41 0.00 8.25 -1.26 -2.55 115.22 123.83 2hgh n HIS 108 Ca 0.08 -1.18 -0.34 0.00 -0.26 0.00 0.00 57.72 56.02 2hgh n HIS 108 Cb 0.48 -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 -3.00 2.00 -0.17 4.41 2.19 -1.26 -4.83 117.98 117.32 2hgh s PHE 109 Ca 0.45 1.60 -0.32 0.00 0.33 0.00 0.00 56.93 58.99 2hgh s PHE 109 Cb 0.38 -3.50 -0.09 0.00 -1.31 0.00 0.00 43.02 38.50 2hgh s PHE 109 CO 0.07 -2.70 2.07 -1.91 1.83 0.00 0.00 175.22 174.58 2hgh n GLU 110 N -2.73 1.97 -1.16 10.12 2.13 -1.26 -1.40 120.64 128.30 2hgh n GLU 110 Ca 0.14 0.64 -0.05 0.00 0.66 0.00 0.00 57.16 58.54 2hgh n GLU 110 Cb 0.50 -2.85 -0.02 0.00 0.27 0.00 0.00 31.44 29.34 2hgh n GLU 110 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2hgh n ASN 111 N 9.09 -4.42 0.00 4.31 3.02 -1.26 -4.94 115.26 121.06 2hgh n ASN 111 Ca 0.29 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 2hgh n ASN 111 Cb 0.35 -2.40 0.00 0.00 -0.61 0.00 0.00 39.78 37.11 2hgh n ASN 111 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hgh n GLY 113 N 2.44 0.58 3.77 0.00 0.00 -1.06 -5.01 105.19 105.91 2hgh n GLY 113 Ca 0.00 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.47 4.11 -0.04 1.61 2.20 -1.25 -4.78 119.74 120.12 2hgh s LYS 114 Ca 0.00 1.93 0.05 0.00 -0.36 0.00 0.00 55.97 57.60 2hgh s LYS 114 Cb 0.00 -2.77 -0.01 0.00 -1.51 0.00 0.00 37.83 33.54 2hgh s LYS 114 CO 0.00 -0.30 -0.20 0.00 -0.36 0.00 0.00 175.35 174.49 2hgh s ALA 115 N -1.34 1.73 0.16 3.13 0.00 -1.26 -0.26 121.76 123.92 2hgh s ALA 115 Ca 0.55 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.77 2hgh s ALA 115 Cb -0.33 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 2hgh s ALA 115 CO 0.42 0.34 -0.17 -0.06 0.00 0.00 0.00 175.76 176.29 2hgh s PHE 116 N -0.11 1.71 0.16 0.00 0.40 0.62 -4.98 117.98 115.79 2hgh s PHE 116 Ca -0.02 -0.51 0.03 0.00 -0.60 0.00 0.00 56.93 55.84 2hgh s PHE 116 Cb -0.11 -0.85 -0.02 0.00 0.51 0.00 0.00 43.02 42.54 2hgh s PHE 116 CO 0.02 0.30 1.37 1.57 0.70 0.00 0.00 175.22 179.17 2hgh h LYS 117 N 3.17 0.16 -6.29 0.44 2.10 -1.96 0.59 116.57 114.77 2hgh h LYS 117 Ca -0.41 -0.18 -0.61 0.00 -2.00 0.00 0.00 60.65 57.46 2hgh h LYS 117 Cb 1.21 0.05 -0.25 0.00 -0.90 0.00 0.00 32.23 32.34 2hgh h LYS 117 CO 0.53 0.95 -0.85 0.15 -2.00 0.00 0.00 179.45 178.23 2hgh s LYS 118 N -3.13 1.40 0.46 0.07 -0.14 -1.26 -4.57 119.74 112.57 2hgh s LYS 118 Ca -0.02 -1.05 0.18 0.00 -1.36 0.00 0.00 55.97 53.72 2hgh s LYS 118 Cb 0.10 -1.59 1.11 0.00 -1.68 0.00 0.00 37.83 35.77 2hgh s LYS 118 CO 0.82 0.40 2.00 1.12 -0.76 0.00 0.00 175.35 178.94 2hgh h HIS 119 N 4.60 0.00 -0.20 3.18 2.07 -1.92 -1.81 115.15 121.08 2hgh h HIS 119 Ca -0.45 0.00 -0.04 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 0.53 0.18 -0.08 -0.91 -3.07 0.00 0.00 177.93 174.58 2hgh h ASN 120 N 0.00 0.28 -0.04 3.10 2.35 -1.99 0.19 115.58 119.48 2hgh h ASN 120 Ca -0.00 -0.05 -0.20 0.00 -0.55 0.00 0.00 56.30 55.49 2hgh h ASN 120 Cb 0.35 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2hgh h ASN 120 CO 0.02 0.40 -0.71 1.56 -1.65 0.00 0.00 177.43 177.05 2hgh h GLN 121 N 0.29 0.68 -0.28 0.81 4.20 -1.77 -1.38 115.11 117.67 2hgh h GLN 121 Ca 0.06 -0.52 -0.00 0.00 0.06 0.00 0.00 58.65 58.25 2hgh h GLN 121 Cb 0.33 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2hgh h GLN 121 CO 0.02 1.14 0.17 1.25 -0.67 0.00 0.00 178.83 180.74 2hgh h LEU 122 N 0.48 0.33 -0.91 1.46 5.85 -1.06 0.54 115.31 122.00 2hgh h LEU 122 Ca -0.03 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.67 2hgh h LEU 122 Cb 1.32 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 2hgh h LEU 122 CO 0.14 0.28 0.59 0.50 -0.34 0.00 0.00 178.44 179.61 2hgh h LYS 123 N 0.36 1.13 -0.84 1.25 3.64 -0.62 -0.92 116.57 120.56 2hgh h LYS 123 Ca 0.10 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2hgh h LYS 123 Cb 0.00 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 31.53 2hgh h LYS 123 CO -0.02 0.75 0.50 0.28 -2.27 0.00 0.00 179.45 178.69 2hgh h VAL 124 N 1.17 1.24 -0.28 2.00 2.07 -0.82 -2.60 116.25 119.02 2hgh h VAL 124 Ca 0.35 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 2hgh h VAL 124 Cb -0.05 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 2hgh h VAL 124 CO -0.10 0.25 -0.09 -0.74 0.02 0.00 0.00 177.57 176.91 2hgh h HIS 125 N 1.16 0.64 -0.12 1.57 -0.00 0.03 -3.12 115.15 115.29 2hgh h HIS 125 Ca 0.30 -0.14 -0.06 0.00 -0.00 0.00 0.00 60.37 60.46 2hgh h HIS 125 Cb -0.04 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 2hgh h HIS 125 CO -0.00 0.77 -0.21 1.96 -0.00 0.00 0.00 177.93 180.45 2hgh h GLN 126 N 0.32 0.21 -0.45 5.26 4.20 -1.11 -1.54 115.11 122.00 2hgh h GLN 126 Ca 0.07 -0.06 0.13 0.00 0.06 0.00 0.00 58.65 58.85 2hgh h GLN 126 Cb 0.58 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 2hgh h GLN 126 CO 0.03 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 -0.15 2.96 -5.15 -1.40 -0.72 116.94 112.67 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 0.49 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 -0.07 1.03 -2.00 0.00 0.00 178.31 177.28 2hgh h SER 128 N 0.00 0.32 -0.39 -0.68 0.87 -1.35 0.23 113.55 112.55 2hgh h SER 128 Ca 0.21 -0.40 -0.06 0.00 -1.23 0.00 0.00 61.79 60.31 2hgh h SER 128 Cb 0.92 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 2hgh h SER 128 CO -0.00 0.65 0.06 0.45 -0.53 0.00 0.00 176.83 177.46 2hgh h HIS 129 N -0.01 0.77 0.00 2.24 3.86 -1.25 -2.38 115.15 118.38 2hgh h HIS 129 Ca 0.04 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2hgh h HIS 129 Cb 0.53 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.78 2hgh h HIS 129 CO 0.06 0.69 -0.17 1.79 0.86 0.00 0.00 177.93 181.16 2hgh h THR 130 N 0.71 0.00 -4.15 2.45 1.35 -1.16 -3.48 112.91 108.63 2hgh h THR 130 Ca 0.15 -0.85 -0.35 0.00 -0.55 0.00 0.00 66.41 64.82 2hgh h THR 130 Cb 0.35 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 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 -2.79 -2.98 -4.23 4.72 -0.06 0.78 -5.00 117.38 107.83 2hgh n GLN 131 Ca 0.04 0.73 -0.17 0.00 -2.00 0.00 0.00 57.00 55.60 2hgh n GLN 131 Cb 0.50 -5.43 -0.11 0.00 -4.06 0.00 0.00 30.24 21.15 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 -5.39 0.98 -0.13 3.69 1.03 -1.05 -5.04 119.66 113.75 2hgh s GLN 132 Ca 0.15 -1.24 -0.15 0.00 0.04 0.00 0.00 55.36 54.16 2hgh s GLN 132 Cb -0.07 -0.78 -0.05 0.00 0.03 0.00 0.00 33.01 32.14 2hgh s GLN 132 CO 0.19 0.14 0.36 -0.51 -2.54 0.00 0.00 175.29 172.93 2hgh s LEU 133 N -2.53 4.28 0.10 2.60 1.43 -1.26 -4.61 118.68 118.69 2hgh s LEU 133 Ca 0.09 0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 53.81 2hgh s LEU 133 Cb -0.04 -2.50 -0.20 0.00 0.03 0.00 0.00 46.19 43.49 2hgh s LEU 133 CO 0.02 0.10 1.21 1.55 0.23 0.00 0.00 176.35 179.46 2hgh h PRO 134 N 6.41 0.32 -3.88 1.29 0.13 -1.87 -3.42 132.00 130.98 2hgh h PRO 134 Ca -0.43 -0.45 -0.77 0.00 -0.87 0.00 0.00 66.00 63.48 2hgh h PRO 134 Cb 1.18 0.15 -0.27 0.00 0.13 0.00 0.00 31.00 32.19 2hgh h PRO 134 CO 0.73 1.17 -0.03 0.71 -0.23 0.00 0.00 178.00 180.35 2hgh s TYR 135 N -2.91 3.62 -0.05 1.56 2.02 -1.11 -4.99 117.35 115.49 2hgh s TYR 135 Ca -0.05 -1.93 -0.11 0.00 -0.37 0.00 0.00 57.07 54.61 2hgh s TYR 135 Cb 0.08 -3.74 -0.05 0.00 -0.40 0.00 0.00 41.96 37.85 2hgh s TYR 135 CO 0.88 -0.98 0.29 -2.00 -1.57 0.00 0.00 175.55 172.16 2hgh s GLU 136 N 0.46 3.69 -0.17 -0.62 2.12 -1.26 -0.06 118.70 122.85 2hgh s GLU 136 Ca 0.15 0.15 -0.29 0.00 0.36 0.00 0.00 54.97 55.33 2hgh s GLU 136 Cb -0.15 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 2hgh s GLU 136 CO -0.06 0.73 1.34 0.00 -0.54 0.00 0.00 175.26 176.73 2hgh n PRO 138 N 6.85 1.76 -2.06 0.00 -0.04 -1.26 -4.56 135.00 135.70 2hgh n PRO 138 Ca 0.15 -1.16 -0.37 0.00 -0.04 0.00 0.00 63.50 62.08 2hgh n PRO 138 Cb 0.45 -1.38 0.02 0.00 -0.04 0.00 0.00 33.50 32.54 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 2.57 -0.02 0.54 2.46 -1.26 -4.93 115.29 112.90 2hgh s HIS 139 Ca 0.31 1.48 -0.30 0.00 0.47 0.00 0.00 55.06 57.03 2hgh s HIS 139 Cb 0.17 -3.52 -0.07 0.00 -0.13 0.00 0.00 32.58 29.03 2hgh s HIS 139 CO 0.25 -2.10 1.72 -2.00 -2.47 0.00 0.00 174.74 170.14 2hgh s GLU 140 N -2.95 4.18 0.00 2.88 2.12 -1.26 -2.12 118.70 121.54 2hgh s GLU 140 Ca 0.70 2.29 0.00 0.00 0.36 0.00 0.00 54.97 58.32 2hgh s GLU 140 Cb -0.32 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 30.10 2hgh s GLU 140 CO 0.38 -0.85 0.00 0.41 -0.54 0.00 0.00 175.26 174.65 2hgh n GLY 141 N 4.19 0.77 3.77 -1.50 0.00 -1.26 -5.06 105.19 106.11 2hgh n GLY 141 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 0.07 0.00 -4.77 0.00 5.75 -1.26 -4.75 116.55 111.59 2hgh n ASP 143 Ca -0.09 -1.17 -0.38 0.00 -0.01 0.00 0.00 54.79 53.14 2hgh n ASP 143 Cb 0.53 -0.03 -0.00 0.00 -1.03 0.00 0.00 41.12 40.58 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 3.81 0.08 0.11 3.01 -1.26 -4.88 119.74 120.61 2hgh s LYS 144 Ca 0.00 1.96 0.03 0.00 -1.01 0.00 0.00 55.97 56.95 2hgh s LYS 144 Cb 0.00 -2.56 -0.03 0.00 -1.01 0.00 0.00 37.83 34.23 2hgh s LYS 144 CO 0.00 -0.56 -0.10 1.03 0.51 0.00 0.00 175.35 176.23 2hgh s ARG 145 N -2.49 0.78 0.10 1.68 0.52 -1.26 -1.04 118.95 117.24 2hgh s ARG 145 Ca 0.61 -1.07 0.03 0.00 -0.52 0.00 0.00 55.73 54.78 2hgh s ARG 145 Cb -0.33 -0.51 -0.04 0.00 0.52 0.00 0.00 34.95 34.59 2hgh s ARG 145 CO 0.41 0.08 -0.09 -0.06 0.02 0.00 0.00 175.30 175.67 2hgh s PHE 146 N -2.16 0.99 -0.10 -0.53 0.40 0.91 -4.98 117.98 112.51 2hgh s PHE 146 Ca 0.02 -0.75 0.14 0.00 -0.60 0.00 0.00 56.93 55.75 2hgh s PHE 146 Cb -0.05 -0.55 -0.05 0.00 0.51 0.00 0.00 43.02 42.88 2hgh s PHE 146 CO 0.00 -0.05 1.19 0.66 0.70 0.00 0.00 175.22 177.72 2hgh h SER 147 N 3.32 0.00 -4.12 1.36 4.64 -1.97 -2.94 113.55 113.84 2hgh h SER 147 Ca -0.36 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.57 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 0.57 0.61 -0.75 -0.76 -0.87 0.00 0.00 176.83 175.64 2hgh s LEU 148 N -6.26 2.41 0.29 5.97 2.01 -1.26 -4.78 118.68 117.06 2hgh s LEU 148 Ca 0.01 -0.82 0.04 0.00 0.01 0.00 0.00 54.13 53.37 2hgh s LEU 148 Cb 0.08 -0.48 0.44 0.00 0.01 0.00 0.00 46.19 46.24 2hgh s LEU 148 CO 0.78 -0.18 1.72 1.55 1.01 0.00 0.00 176.35 181.23 2hgh h PRO 149 N 3.49 0.41 -0.48 1.29 0.13 -1.95 -2.46 132.00 132.44 2hgh h PRO 149 Ca -0.39 -0.16 -0.03 0.00 -0.87 0.00 0.00 66.00 64.55 2hgh h PRO 149 Cb 1.19 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2hgh h PRO 149 CO 0.52 0.67 0.17 0.66 -0.23 0.00 0.00 178.00 179.78 2hgh h SER 150 N 0.36 0.63 -0.02 1.44 4.64 -1.98 0.92 113.55 119.54 2hgh h SER 150 Ca 0.05 -0.08 -0.20 0.00 -0.47 0.00 0.00 61.79 61.09 2hgh h SER 150 Cb 0.69 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2hgh h SER 150 CO 0.05 0.58 -0.71 0.03 -0.87 0.00 0.00 176.83 175.92 2hgh h ARG 151 N 0.68 0.66 -0.29 4.77 3.08 -1.88 -0.87 114.38 120.53 2hgh h ARG 151 Ca 0.16 -0.50 -0.04 0.00 0.07 0.00 0.00 59.98 59.67 2hgh h ARG 151 Cb 0.17 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2hgh h ARG 151 CO -0.01 1.12 0.01 1.25 -1.07 0.00 0.00 179.97 181.27 2hgh h LEU 152 N 0.46 0.49 -1.09 3.04 5.85 -1.18 -0.66 115.31 122.22 2hgh h LEU 152 Ca -0.03 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.41 2hgh h LEU 152 Cb 1.31 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 2hgh h LEU 152 CO 0.14 0.67 0.62 0.11 -0.34 0.00 0.00 178.44 179.63 2hgh h LYS 153 N 0.30 1.20 -0.28 1.25 1.57 -0.73 -0.20 116.57 119.68 2hgh h LYS 153 Ca 0.08 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 2hgh h LYS 153 Cb 0.41 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2hgh h LYS 153 CO 0.01 0.79 -0.47 -0.09 -0.57 0.00 0.00 179.45 179.13 2hgh h ARG 154 N 1.23 0.74 -0.36 3.15 2.43 -1.05 -2.83 114.38 117.70 2hgh h ARG 154 Ca 0.35 -0.43 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2hgh h ARG 154 Cb -0.10 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2hgh h ARG 154 CO -0.09 1.05 0.19 1.25 -1.51 0.00 0.00 179.97 180.86 2hgh h HIS 155 N 0.59 0.48 -0.25 2.20 2.76 -0.42 -2.16 115.15 118.35 2hgh h HIS 155 Ca 0.03 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.24 2hgh h HIS 155 Cb 1.03 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.83 2hgh h HIS 155 CO 0.05 0.35 0.17 1.49 -1.30 0.00 0.00 177.93 178.69 2hgh h GLU 156 N 0.50 0.13 -0.03 5.26 4.81 -0.79 0.10 114.58 124.56 2hgh h GLU 156 Ca 0.13 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2hgh h GLU 156 Cb 0.03 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2hgh h GLU 156 CO -0.02 0.09 0.03 -0.22 -0.73 0.00 0.00 179.01 178.16 2hgh h LYS 157 N 0.14 0.00 -0.64 1.92 3.64 -1.44 -1.03 116.57 119.16 2hgh h LYS 157 Ca 0.11 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2hgh h LYS 157 Cb 0.27 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2hgh h LYS 157 CO -0.02 0.00 0.34 0.28 -2.27 0.00 0.00 179.45 177.78 2hgh h VAL 158 N 0.00 1.21 0.00 2.00 2.07 -1.11 0.18 116.25 120.60 2hgh h VAL 158 Ca 0.01 -0.55 -0.13 0.00 0.82 0.00 0.00 66.70 66.85 2hgh h VAL 158 Cb 0.07 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2hgh h VAL 158 CO -0.00 0.24 -0.63 0.45 0.02 0.00 0.00 177.57 177.65 2hgh h HIS 159 N 0.88 0.00 0.00 1.57 3.86 -1.34 -2.90 115.15 117.22 2hgh h HIS 159 Ca 0.22 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.34 2hgh h HIS 159 Cb 0.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 2hgh h HIS 159 CO -0.00 0.63 -0.45 0.00 0.86 0.00 0.00 177.93 178.96 2hgh h ALA 160 N 1.37 1.09 0.00 2.45 0.00 -0.99 -3.50 119.26 119.68 2hgh h ALA 160 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2hgh h ALA 160 Cb 1.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2hgh h ALA 160 CO 0.08 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.31 2hgh n GLY 161 N 0.05 -0.93 2.88 0.00 0.00 0.02 -4.89 105.19 102.32 2hgh n GLY 161 Ca -0.01 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.53 2.85 0.25 1.61 1.51 0.25 -4.86 117.35 117.43 2hgh s TYR 162 Ca 0.00 -2.72 -0.29 0.00 -1.01 0.00 0.00 57.07 53.05 2hgh s TYR 162 Cb 0.00 -2.46 -0.09 0.00 -0.11 0.00 0.00 41.96 39.30 2hgh s TYR 162 CO 0.00 -0.84 0.93 -1.25 -1.11 0.00 0.00 175.55 173.29 2hgh s PRO 163 N 0.54 4.82 0.35 -1.71 0.04 -1.26 -0.79 135.00 136.98 2hgh s PRO 163 Ca 0.14 1.46 -0.27 0.00 0.04 0.00 0.00 61.00 62.37 2hgh s PRO 163 Cb -0.22 -3.23 -0.09 0.00 0.04 0.00 0.00 34.50 30.99 2hgh s PRO 163 CO -0.07 0.50 1.18 0.00 0.04 0.00 0.00 177.00 178.65 2hgh n LYS 165 N 0.56 0.00 0.26 0.00 3.00 -1.26 -4.76 118.16 115.96 2hgh n LYS 165 Ca 0.02 -0.54 0.14 0.00 -0.00 0.00 0.00 58.31 57.93 2hgh n LYS 165 Cb 0.45 -0.43 0.71 0.00 0.00 0.00 0.00 35.03 35.75 2hgh n LYS 165 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2hgh h LYS 166 N 0.00 0.00 -2.87 1.64 1.79 -1.93 -3.43 116.57 111.77 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 1.09 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.51 2hgh h LYS 166 CO 0.00 0.11 -0.25 0.34 -1.08 0.00 0.00 179.45 178.58 2hgh s ASP 167 N -5.99 -0.32 0.46 0.86 2.15 -1.26 -5.05 116.67 107.51 2hgh s ASP 167 Ca -0.02 0.47 0.20 0.00 0.43 0.00 0.00 52.55 53.63 2hgh s ASP 167 Cb 0.12 0.56 1.10 0.00 -0.30 0.00 0.00 42.92 44.40 2hgh s ASP 167 CO 0.57 -0.29 1.97 -0.78 -0.17 0.00 0.00 175.17 176.47 2hgh h ASP 168 N 4.69 0.00 -0.45 -0.34 3.58 -1.96 -2.47 116.42 119.46 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 0.21 0.00 -1.20 -2.88 0.00 0.00 179.24 175.70 2hgh n SER 169 N -3.92 4.67 -4.41 2.28 7.64 -1.26 -4.86 113.62 113.76 2hgh n SER 169 Ca -0.02 -2.71 -0.33 0.00 1.01 0.00 0.00 58.87 56.83 2hgh n SER 169 Cb 0.30 -0.64 -0.14 0.00 -1.01 0.00 0.00 64.21 62.72 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 2.95 0.61 -4.77 0.00 7.64 -1.26 -4.79 113.62 114.00 2hgh n SER 171 Ca -0.18 -1.87 -0.40 0.00 1.01 0.00 0.00 58.87 57.44 2hgh n SER 171 Cb 0.52 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.58 2.61 -0.11 1.43 2.19 -1.26 -4.82 117.98 117.45 2hgh s PHE 172 Ca 0.05 1.28 0.00 0.00 0.33 0.00 0.00 56.93 58.60 2hgh s PHE 172 Cb 0.04 -3.87 0.02 0.00 -1.31 0.00 0.00 43.02 37.90 2hgh s PHE 172 CO 0.00 -2.69 -0.10 0.08 1.83 0.00 0.00 175.22 174.35 2hgh s VAL 173 N -1.19 1.16 0.03 3.12 1.01 -1.26 -0.51 120.40 122.76 2hgh s VAL 173 Ca 0.57 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 61.89 2hgh s VAL 173 Cb -0.43 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 2hgh s VAL 173 CO 0.56 0.38 0.78 -0.83 0.00 0.00 0.00 175.10 176.00 2hgh s GLY 174 N 1.42 2.78 0.42 4.51 0.00 0.03 -4.79 107.32 111.69 2hgh s GLY 174 Ca 0.00 0.30 0.30 0.00 0.00 0.00 0.00 44.72 45.31 2hgh s GLY 174 CO -0.06 1.18 1.89 1.70 0.00 0.00 0.00 173.10 177.81 2hgh h LYS 175 N 5.94 0.00 -3.59 2.90 3.64 -1.89 0.74 116.57 124.30 2hgh h LYS 175 Ca -0.43 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.88 2hgh h LYS 175 Cb 1.21 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.90 2hgh h LYS 175 CO 0.72 0.00 -0.17 0.95 -2.27 0.00 0.00 179.45 178.68 2hgh s THR 176 N -3.61 0.07 0.25 1.00 -4.23 -1.26 -4.67 115.64 103.19 2hgh s THR 176 Ca 0.00 -0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 59.48 2hgh s THR 176 Cb 0.09 -1.53 0.23 0.00 1.34 0.00 0.00 72.50 72.64 2hgh s THR 176 CO 0.39 -0.31 1.87 -0.25 -0.54 0.00 0.00 174.62 175.78 2hgh h TRP 177 N 2.43 1.07 -0.44 3.99 -0.00 -1.94 -2.12 115.95 118.94 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 -0.35 -0.04 0.00 -0.00 0.00 0.00 29.16 30.01 2hgh h TRP 177 CO 0.37 0.57 0.20 1.79 -0.00 0.00 0.00 178.44 181.37 2hgh h THR 178 N 1.07 0.93 -0.37 2.65 1.35 -1.98 -1.55 112.91 115.01 2hgh h THR 178 Ca 0.39 -0.14 -0.04 0.00 -0.55 0.00 0.00 66.41 66.07 2hgh h THR 178 Cb 0.13 0.49 -0.02 0.00 -1.73 0.00 0.00 68.15 67.02 2hgh h THR 178 CO -0.16 0.07 0.08 -0.07 -0.25 0.00 0.00 175.52 175.19 2hgh h LEU 179 N 0.40 0.50 -0.07 3.87 3.38 -1.78 0.18 115.31 121.79 2hgh h LEU 179 Ca 0.20 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2hgh h LEU 179 Cb 0.14 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2hgh h LEU 179 CO -0.16 0.52 -0.08 0.22 0.09 0.00 0.00 178.44 179.03 2hgh h TYR 180 N 0.54 0.22 -0.83 1.13 3.20 -1.23 -0.82 116.97 119.18 2hgh h TYR 180 Ca 0.12 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.94 2hgh h TYR 180 Cb 0.23 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 2hgh h TYR 180 CO 0.01 0.64 0.55 -0.07 -1.64 0.00 0.00 178.16 177.64 2hgh h LEU 181 N -0.26 0.94 -0.49 2.82 3.38 -0.90 0.74 115.31 121.54 2hgh h LEU 181 Ca 0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2hgh h LEU 181 Cb 0.61 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2hgh h LEU 181 CO 0.02 0.67 0.16 0.50 0.09 0.00 0.00 178.44 179.88 2hgh h LYS 182 N 1.11 0.75 -0.74 1.13 3.64 -0.67 -1.89 116.57 119.90 2hgh h LYS 182 Ca 0.31 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2hgh h LYS 182 Cb -0.10 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 2hgh h LYS 182 CO -0.07 0.70 0.39 1.25 -2.27 0.00 0.00 179.45 179.44 2hgh h HIS 183 N 0.65 1.03 -0.47 1.91 2.76 -0.51 -2.52 115.15 118.00 2hgh h HIS 183 Ca 0.16 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2hgh h HIS 183 Cb 0.26 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 2hgh h HIS 183 CO 0.01 0.74 0.29 0.28 -1.30 0.00 0.00 177.93 177.95 2hgh h VAL 184 N 1.02 1.15 -0.39 5.26 2.07 -0.68 0.43 116.25 125.11 2hgh h VAL 184 Ca 0.26 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 2hgh h VAL 184 Cb 0.07 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2hgh h VAL 184 CO -0.04 0.15 0.08 0.00 0.02 0.00 0.00 177.57 177.78 2hgh h ALA 185 N 1.14 1.41 0.00 1.67 0.00 -1.05 0.20 119.26 122.63 2hgh h ALA 185 Ca 0.17 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 2hgh h ALA 185 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2hgh h ALA 185 CO -0.03 0.42 -1.55 0.93 0.00 0.00 0.00 179.25 179.02 2hgh h GLU 186 N 0.57 0.00 0.00 0.00 5.08 -1.14 -3.17 114.58 115.92 2hgh h GLU 186 Ca 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2hgh h GLU 186 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2hgh h GLU 186 CO -0.00 0.46 -1.53 0.00 -1.00 0.00 0.00 179.01 176.94 2hgh n HIS 188 N -1.93 0.00 -1.17 0.00 8.25 0.02 -4.75 115.22 115.64 2hgh n HIS 188 Ca -0.03 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2hgh n HIS 188 Cb 0.34 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.43 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 -0.17 0.04 0.00 -0.41 1.13 -0.96 -4.96 117.38 112.04 2hgh n GLN 189 Ca 0.00 -0.61 0.00 0.00 -1.94 0.00 0.00 57.00 54.45 2hgh n GLN 189 Cb 0.34 -0.51 0.00 0.00 0.11 0.00 0.00 30.24 30.18 2hgh n GLN 189 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15