#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgk n ALA 125 N 0.00 1.27 0.16 4.61 0.00 -1.26 -4.72 120.51 120.56 3hgk n ALA 125 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3hgk n ALA 125 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 3hgk n ALA 125 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hgk h VAL 126 N 0.00 1.27 0.15 0.00 2.07 -1.95 0.45 116.25 118.24 3hgk h VAL 126 Ca 0.00 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.69 3hgk h VAL 126 Cb 0.00 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3hgk h VAL 126 CO 0.00 0.50 -0.07 0.00 0.02 0.00 0.00 177.57 178.02 3hgk h ALA 127 N 1.49 -0.21 0.11 1.67 0.00 -2.01 -3.12 119.26 117.19 3hgk h ALA 127 Ca -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3hgk h ALA 127 Cb 0.97 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3hgk h ALA 127 CO 0.07 -0.32 -0.23 1.25 0.00 0.00 0.00 179.25 180.01 3hgk h HIS 128 N -0.80 -0.62 -0.80 0.00 -0.00 -1.83 -2.78 115.15 108.31 3hgk h HIS 128 Ca -0.02 0.01 0.19 0.00 -0.00 0.00 0.00 60.37 60.55 3hgk h HIS 128 Cb 0.53 0.26 -0.12 0.00 -0.00 0.00 0.00 27.41 28.08 3hgk h HIS 128 CO 0.08 -0.33 0.20 0.00 -0.00 0.00 0.00 177.93 177.88 3hgk h ALA 129 N 0.34 1.08 -0.95 5.26 0.00 -1.02 0.28 119.26 124.24 3hgk h ALA 129 Ca 0.03 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3hgk h ALA 129 Cb 0.46 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 3hgk h ALA 129 CO -0.14 -0.39 0.62 -0.91 0.00 0.00 0.00 179.25 178.44 3hgk h ASN 130 N 0.24 1.02 -0.96 0.00 2.35 -1.42 -0.78 115.58 116.04 3hgk h ASN 130 Ca 0.47 -0.00 0.18 0.00 -0.55 0.00 0.00 56.30 56.40 3hgk h ASN 130 Cb 0.87 -0.23 -0.09 0.00 0.05 0.00 0.00 38.32 38.93 3hgk h ASN 130 CO -0.58 0.69 0.61 0.28 -1.65 0.00 0.00 177.43 176.78 3hgk h SER 131 N 1.18 0.65 0.32 5.81 0.02 -0.83 0.12 113.55 120.82 3hgk h SER 131 Ca 0.39 0.07 -0.23 0.00 -0.84 0.00 0.00 61.79 61.18 3hgk h SER 131 Cb 0.04 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3hgk h SER 131 CO -0.14 0.26 -0.95 0.40 -1.14 0.00 0.00 176.83 175.26 3hgk h ILE 132 N 0.65 1.39 -0.19 3.27 2.04 -1.04 -2.27 117.51 121.35 3hgk h ILE 132 Ca 0.52 -2.44 -0.11 0.00 1.00 0.00 0.00 64.86 63.83 3hgk h ILE 132 Cb 0.95 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 39.44 3hgk h ILE 132 CO -0.28 0.73 -0.37 0.58 0.00 0.00 0.00 178.15 178.82 3hgk h VAL 133 N 0.24 1.29 0.36 1.67 2.07 -0.65 -2.81 116.25 118.41 3hgk h VAL 133 Ca -0.08 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 3hgk h VAL 133 Cb 1.59 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 3hgk h VAL 133 CO 0.17 0.46 -0.19 1.56 0.02 0.00 0.00 177.57 179.58 3hgk h GLN 134 N 0.36 -0.49 0.04 1.57 1.08 -0.70 -2.62 115.11 114.34 3hgk h GLN 134 Ca 0.04 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.29 3hgk h GLN 134 Cb 0.81 0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 28.30 3hgk h GLN 134 CO 0.07 -0.33 -0.54 1.96 -0.95 0.00 0.00 178.83 179.04 3hgk h GLN 135 N -0.51 -0.68 -0.92 1.46 4.20 -1.38 0.32 115.11 117.60 3hgk h GLN 135 Ca -0.04 0.05 0.17 0.00 0.06 0.00 0.00 58.65 58.88 3hgk h GLN 135 Cb 0.41 0.16 -0.17 0.00 0.30 0.00 0.00 27.48 28.17 3hgk h GLN 135 CO 0.06 -0.45 -0.29 -0.07 -0.67 0.00 0.00 178.83 177.41 3hgk h LEU 136 N -0.71 -1.05 -0.11 1.46 3.38 -1.43 1.61 115.31 118.46 3hgk h LEU 136 Ca 0.00 0.28 -0.16 0.00 0.09 0.00 0.00 57.88 58.10 3hgk h LEU 136 Cb 0.74 0.63 0.01 0.00 0.09 0.00 0.00 40.66 42.13 3hgk h LEU 136 CO -0.34 -0.30 -0.55 0.58 0.09 0.00 0.00 178.44 177.93 3hgk h VAL 137 N -0.02 1.35 0.00 1.22 2.07 -1.15 1.29 116.25 121.02 3hgk h VAL 137 Ca 0.40 -1.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.03 3hgk h VAL 137 Cb 0.64 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 3hgk h VAL 137 CO -0.94 0.56 -0.17 0.77 0.02 0.00 0.00 177.57 177.81 3hgk h SER 138 N 0.19 0.00 -0.87 0.57 4.64 0.16 -0.78 113.55 117.46 3hgk h SER 138 Ca -0.04 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.92 3hgk h SER 138 Cb 1.19 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.06 3hgk h SER 138 CO 0.11 0.17 0.46 -0.62 -0.87 0.00 0.00 176.83 176.09 3hgk n GLU 139 N -3.77 3.06 -0.70 4.77 1.02 0.53 -4.93 120.64 120.61 3hgk n GLU 139 Ca -0.02 -3.06 0.00 0.00 -0.02 0.00 0.00 57.16 54.06 3hgk n GLU 139 Cb 0.28 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 3hgk n GLU 139 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hgk n GLY 140 N -0.62 0.12 3.69 0.62 0.00 -0.30 -4.93 105.19 103.79 3hgk n GLY 140 Ca 0.50 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 3hgk n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hgk s ALA 141 N -1.35 3.73 -0.48 4.61 0.00 0.44 -4.89 121.76 123.83 3hgk s ALA 141 Ca 0.00 1.32 -0.27 0.00 0.00 0.00 0.00 51.96 53.01 3hgk s ALA 141 Cb 0.00 -3.71 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 3hgk s ALA 141 CO 0.00 -1.10 1.96 0.34 0.00 0.00 0.00 175.76 176.96 3hgk s ASP 142 N 2.32 5.33 0.51 0.00 2.15 -1.26 -4.09 116.67 121.64 3hgk s ASP 142 Ca 0.76 0.87 0.20 0.00 0.43 0.00 0.00 52.55 54.81 3hgk s ASP 142 Cb -0.43 -2.52 1.33 0.00 -0.30 0.00 0.00 42.92 41.00 3hgk s ASP 142 CO 0.33 -2.23 2.11 0.16 -0.17 0.00 0.00 175.17 175.38 3hgk h ILE 143 N 7.02 0.89 0.09 4.11 3.07 -1.90 -2.38 117.51 128.41 3hgk h ILE 143 Ca -0.29 -0.26 0.02 0.00 1.55 0.00 0.00 64.86 65.88 3hgk h ILE 143 Cb 1.19 1.15 -0.03 0.00 -0.27 0.00 0.00 36.82 38.85 3hgk h ILE 143 CO 1.13 0.07 -0.23 0.77 -1.05 0.00 0.00 178.15 178.84 3hgk h SER 144 N 0.00 -0.66 -0.70 2.16 4.64 -1.96 -1.86 113.55 115.16 3hgk h SER 144 Ca -0.00 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 3hgk h SER 144 Cb 0.14 0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 3hgk h SER 144 CO 0.01 -0.32 0.42 -0.74 -0.87 0.00 0.00 176.83 175.33 3hgk h HIS 145 N -0.41 0.94 -0.86 4.77 -0.00 -1.85 -2.77 115.15 114.96 3hgk h HIS 145 Ca 0.04 -0.01 0.16 0.00 -0.00 0.00 0.00 60.37 60.56 3hgk h HIS 145 Cb 0.45 -0.31 -0.10 0.00 -0.00 0.00 0.00 27.41 27.46 3hgk h HIS 145 CO -0.23 0.64 0.43 1.15 -0.00 0.00 0.00 177.93 179.92 3hgk h THR 146 N 0.96 0.68 -0.28 6.26 2.02 -1.05 -0.11 112.91 121.39 3hgk h THR 146 Ca 0.25 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.26 3hgk h THR 146 Cb -0.02 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.41 3hgk h THR 146 CO -0.05 0.11 0.10 0.03 0.37 0.00 0.00 175.52 176.08 3hgk h ARG 147 N 0.59 0.23 -0.88 6.66 3.08 -1.06 -1.72 114.38 121.27 3hgk h ARG 147 Ca 0.48 -0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.72 3hgk h ARG 147 Cb 0.73 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.67 3hgk h ARG 147 CO -0.39 0.15 0.59 -0.91 -1.07 0.00 0.00 179.97 178.34 3hgk h ASN 148 N 0.23 0.36 0.49 7.04 4.21 -0.94 0.01 115.58 126.98 3hgk h ASN 148 Ca 0.12 0.04 -0.29 0.00 1.21 0.00 0.00 56.30 57.38 3hgk h ASN 148 Cb 0.09 -0.03 0.02 0.00 -1.12 0.00 0.00 38.32 37.27 3hgk h ASN 148 CO -0.12 0.14 -1.31 0.24 -1.29 0.00 0.00 177.43 175.09 3hgk h MET 149 N 0.36 0.37 -0.53 0.81 2.86 -1.02 -2.24 114.93 115.53 3hgk h MET 149 Ca 0.45 -0.62 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 3hgk h MET 149 Cb 1.20 0.23 -0.02 0.00 0.06 0.00 0.00 31.60 33.07 3hgk h MET 149 CO -0.15 1.29 0.00 1.25 1.06 0.00 0.00 176.91 180.36 3hgk h LEU 150 N 0.11 0.88 0.56 1.22 5.85 -0.20 0.38 115.31 124.10 3hgk h LEU 150 Ca -0.17 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 3hgk h LEU 150 Cb 2.02 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 42.82 3hgk h LEU 150 CO 0.23 0.94 -0.27 -0.09 -0.34 0.00 0.00 178.44 178.91 3hgk h ARG 151 N 0.84 -0.72 -1.07 1.25 2.43 -1.14 -2.16 114.38 113.81 3hgk h ARG 151 Ca 0.16 0.05 0.29 0.00 -0.81 0.00 0.00 59.98 59.66 3hgk h ARG 151 Cb 0.49 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.13 3hgk h ARG 151 CO 0.02 -0.42 0.71 -0.91 -1.51 0.00 0.00 179.97 177.87 3hgk h ASN 152 N -0.96 0.31 0.19 -3.80 4.21 -1.18 -0.70 115.58 113.66 3hgk h ASN 152 Ca -0.08 0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 3hgk h ASN 152 Cb 0.64 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.85 3hgk h ASN 152 CO 0.13 0.05 -0.09 0.00 -1.29 0.00 0.00 177.43 176.23 3hgk h ALA 153 N 1.57 -0.25 -0.33 -0.83 0.00 -0.01 0.48 119.26 119.89 3hgk h ALA 153 Ca 0.58 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 55.12 3hgk h ALA 153 Cb 1.72 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 3hgk h ALA 153 CO -0.22 -0.39 -0.44 0.52 0.00 0.00 0.00 179.25 178.73 3hgk h MET 154 N -0.75 0.85 -0.35 0.00 2.86 -0.77 -2.24 114.93 114.52 3hgk h MET 154 Ca -0.03 -0.47 0.03 0.00 -2.06 0.00 0.00 59.70 57.17 3hgk h MET 154 Cb 0.51 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 3hgk h MET 154 CO 0.04 1.11 0.24 -0.91 1.06 0.00 0.00 176.91 178.45 3hgk h ASN 155 N 0.68 0.32 0.00 1.22 2.35 -1.26 -3.42 115.58 115.47 3hgk h ASN 155 Ca 0.04 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3hgk h ASN 155 Cb 1.02 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.31 3hgk h ASN 155 CO 0.10 0.22 0.00 0.61 -1.65 0.00 0.00 177.43 176.71 3hgk n GLY 156 N -1.51 1.08 3.90 2.83 0.00 -0.84 -5.10 105.19 105.55 3hgk n GLY 156 Ca 0.03 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 3hgk n GLY 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hgk s ASP 157 N -2.21 6.39 -0.20 1.61 1.01 0.17 -4.99 116.67 118.45 3hgk s ASP 157 Ca 0.00 0.90 -0.33 0.00 0.71 0.00 0.00 52.55 53.82 3hgk s ASP 157 Cb 0.00 -2.23 -0.10 0.00 1.01 0.00 0.00 42.92 41.60 3hgk s ASP 157 CO 0.00 -0.41 2.04 0.00 0.21 0.00 0.00 175.17 177.02 3hgk n ALA 158 N -1.60 1.11 -2.69 5.23 0.00 -1.26 -4.34 120.51 116.95 3hgk n ALA 158 Ca 0.00 0.07 -0.28 0.00 0.00 0.00 0.00 53.44 53.23 3hgk n ALA 158 Cb 0.55 -2.60 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 3hgk n ALA 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hgk s VAL 159 N 5.91 5.16 -0.44 0.00 -7.23 -1.26 -4.96 120.40 117.57 3hgk s VAL 159 Ca 0.99 -0.20 0.05 0.00 -1.81 0.00 0.00 61.98 61.02 3hgk s VAL 159 Cb -0.67 -3.71 0.18 0.00 0.56 0.00 0.00 36.38 32.74 3hgk s VAL 159 CO 0.48 -0.17 0.48 0.00 -0.31 0.00 0.00 175.10 175.58 3hgk n ALA 160 N -0.59 1.36 -1.64 1.32 0.00 -1.26 -5.13 120.51 114.57 3hgk n ALA 160 Ca -0.04 -2.49 -0.32 0.00 0.00 0.00 0.00 53.44 50.59 3hgk n ALA 160 Cb 0.53 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 19.02 3hgk n ALA 160 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hgk s PHE 161 N 0.20 3.01 0.52 0.00 0.08 -1.26 -5.01 117.98 115.52 3hgk s PHE 161 Ca 0.32 1.49 -0.06 0.00 0.12 0.00 0.00 56.93 58.80 3hgk s PHE 161 Cb 0.05 -2.98 -0.03 0.00 -0.57 0.00 0.00 43.02 39.48 3hgk s PHE 161 CO -0.15 -1.15 0.84 -1.54 -0.10 0.00 0.00 175.22 173.12 3hgk s SER 162 N -3.01 6.19 0.21 1.36 1.04 -1.26 -4.83 113.70 113.39 3hgk s SER 162 Ca 0.62 1.00 -0.13 0.00 0.48 0.00 0.00 55.95 57.92 3hgk s SER 162 Cb -0.16 -2.23 0.25 0.00 0.10 0.00 0.00 66.02 63.98 3hgk s SER 162 CO 0.41 -0.68 1.64 0.03 0.98 0.00 0.00 173.24 175.62 3hgk h ARG 163 N 0.08 0.03 0.10 4.02 3.08 -1.99 0.19 114.38 119.89 3hgk h ARG 163 Ca -0.46 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.59 3hgk h ARG 163 Cb 1.21 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 3hgk h ARG 163 CO 0.62 0.02 -0.30 0.28 -1.07 0.00 0.00 179.97 179.51 3hgk h VAL 164 N 0.03 0.00 -0.83 2.04 2.07 -1.96 -2.70 116.25 114.90 3hgk h VAL 164 Ca 0.31 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.88 3hgk h VAL 164 Cb 0.48 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.20 3hgk h VAL 164 CO -0.61 0.00 0.51 -0.33 0.02 0.00 0.00 177.57 177.17 3hgk h GLU 165 N -0.45 0.93 -0.66 1.57 5.08 -1.80 -2.52 114.58 116.74 3hgk h GLU 165 Ca -0.01 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3hgk h GLU 165 Cb 0.44 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3hgk h GLU 165 CO -0.15 0.62 0.25 0.37 -1.00 0.00 0.00 179.01 179.09 3hgk h GLN 166 N 0.96 0.99 0.00 2.33 4.15 -0.55 -1.88 115.11 121.11 3hgk h GLN 166 Ca 0.35 -0.19 -0.12 0.00 0.77 0.00 0.00 58.65 59.46 3hgk h GLN 166 Cb 0.12 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3hgk h GLN 166 CO -0.16 0.84 -0.59 -0.97 -1.93 0.00 0.00 178.83 176.03 3hgk h ASN 167 N 0.93 0.00 -0.48 -0.69 -0.73 -1.28 -2.78 115.58 110.56 3hgk h ASN 167 Ca 0.22 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.32 3hgk h ASN 167 Cb 0.23 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.80 3hgk h ASN 167 CO -0.01 0.59 0.05 0.40 -0.37 0.00 0.00 177.43 178.08 3hgk h ILE 168 N 0.00 1.25 -0.05 2.57 2.04 -1.11 -3.29 117.51 118.92 3hgk h ILE 168 Ca -0.01 -0.98 -0.15 0.00 1.00 0.00 0.00 64.86 64.72 3hgk h ILE 168 Cb 1.27 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 3hgk h ILE 168 CO 0.08 0.34 -0.65 -0.26 0.00 0.00 0.00 178.15 177.66 3hgk h PHE 169 N 0.67 0.27 0.00 1.37 0.05 -1.24 -3.03 116.94 115.02 3hgk h PHE 169 Ca 0.14 -0.11 0.00 0.00 3.82 0.00 0.00 57.97 61.82 3hgk h PHE 169 Cb 0.44 -0.04 0.00 0.00 2.00 0.00 0.00 35.95 38.34 3hgk h PHE 169 CO 0.03 0.79 0.00 -2.13 -0.18 0.00 0.00 178.31 176.82 3hgk n ARG 170 N -3.83 0.16 -0.02 1.51 0.63 -1.06 -0.20 116.66 113.85 3hgk n ARG 170 Ca -0.02 0.33 -0.17 0.00 -0.92 0.00 0.00 57.85 57.07 3hgk n ARG 170 Cb 0.65 -1.77 -0.07 0.00 0.45 0.00 0.00 32.46 31.72 3hgk n ARG 170 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3hgk h GLN 171 N 0.00 0.78 0.02 -0.14 4.20 -1.61 -3.32 115.11 115.04 3hgk h GLN 171 Ca 0.00 -0.64 -0.36 0.00 0.06 0.00 0.00 58.65 57.71 3hgk h GLN 171 Cb 0.41 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.27 3hgk h GLN 171 CO 0.00 1.24 -2.22 0.72 -0.67 0.00 0.00 178.83 177.90 3hgk n HIS 172 N -3.93 0.39 -3.66 2.96 8.25 -0.91 -4.54 115.22 113.78 3hgk n HIS 172 Ca -0.07 0.11 -0.37 0.00 -0.26 0.00 0.00 57.72 57.13 3hgk n HIS 172 Cb 0.75 -1.06 -0.08 0.00 1.12 0.00 0.00 29.99 30.72 3hgk n HIS 172 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hgk s PHE 173 N -2.53 3.60 0.12 4.41 0.08 0.73 -4.97 117.98 119.42 3hgk s PHE 173 Ca -0.18 -2.79 -0.20 0.00 0.12 0.00 0.00 56.93 53.88 3hgk s PHE 173 Cb 0.07 -3.25 -0.06 0.00 -0.57 0.00 0.00 43.02 39.21 3hgk s PHE 173 CO 0.75 -0.81 1.74 -1.00 -0.10 0.00 0.00 175.22 175.80 3hgk h PRO 174 N 6.69 0.09 -0.33 0.24 0.13 -1.80 -2.12 132.00 134.90 3hgk h PRO 174 Ca 0.06 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3hgk h PRO 174 Cb 0.91 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3hgk h PRO 174 CO 0.76 0.06 0.00 0.09 -0.23 0.00 0.00 178.00 178.69 3hgk n ASN 175 N -5.09 0.43 -0.29 1.44 5.03 -1.26 -4.39 115.26 111.13 3hgk n ASN 175 Ca -0.03 -2.01 0.11 0.00 0.87 0.00 0.00 54.58 53.52 3hgk n ASN 175 Cb 0.08 -0.17 0.27 0.00 -1.02 0.00 0.00 39.78 38.94 3hgk n ASN 175 CO 0.00 0.00 0.00 -0.03 -1.83 0.00 0.00 177.26 175.40 3hgk h MET 176 N 0.11 0.32 -0.97 3.52 4.05 -1.74 0.54 114.93 120.77 3hgk h MET 176 Ca 0.00 -0.02 0.18 0.00 -0.28 0.00 0.00 59.70 59.58 3hgk h MET 176 Cb 0.19 -0.07 -0.09 0.00 -0.80 0.00 0.00 31.60 30.83 3hgk h MET 176 CO 0.00 0.21 0.61 -1.35 0.23 0.00 0.00 176.91 176.62 3hgk h PRO 177 N 0.33 0.69 0.00 0.39 0.11 -1.85 -2.98 132.00 128.69 3hgk h PRO 177 Ca 0.52 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.49 3hgk h PRO 177 Cb 0.98 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 3hgk h PRO 177 CO -0.55 0.45 -1.32 -1.33 -0.21 0.00 0.00 178.00 175.05 3hgk n MET 178 N -4.65 0.53 -0.08 1.05 2.81 -0.35 -4.86 117.12 111.56 3hgk n MET 178 Ca 0.21 0.22 -0.11 0.00 -1.81 0.00 0.00 57.70 56.20 3hgk n MET 178 Cb 0.56 -1.42 -0.06 0.00 -0.71 0.00 0.00 33.22 31.59 3hgk n MET 178 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3hgk h HIS 179 N -0.98 0.00 -4.65 2.03 3.86 -0.07 -3.51 115.15 111.83 3hgk h HIS 179 Ca -0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 3hgk h HIS 179 Cb 1.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.58 3hgk h HIS 179 CO -0.35 0.63 -0.86 0.41 0.86 0.00 0.00 177.93 178.62 3hgk n GLY 180 N 1.56 -4.90 2.11 2.45 0.00 -1.11 -4.72 105.19 100.57 3hgk n GLY 180 Ca -0.17 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3hgk n GLY 180 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hgk n ILE 181 N 1.88 -1.57 -1.15 -0.61 5.41 -1.26 -4.90 119.36 117.16 3hgk n ILE 181 Ca -0.02 0.12 -0.29 0.00 1.00 0.00 0.00 62.75 63.56 3hgk n ILE 181 Cb 0.03 -1.67 0.15 0.00 -0.71 0.00 0.00 39.64 37.44 3hgk n ILE 181 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3hgk s SER 182 N -0.64 3.18 0.06 4.38 0.15 -1.26 -4.06 113.70 115.51 3hgk s SER 182 Ca 0.12 1.45 -0.28 0.00 0.70 0.00 0.00 55.95 57.93 3hgk s SER 182 Cb -0.01 -2.13 -0.17 0.00 -1.71 0.00 0.00 66.02 62.00 3hgk s SER 182 CO 0.27 -2.82 1.57 -0.09 1.20 0.00 0.00 173.24 173.36 3hgk h ARG 183 N -1.67 -0.51 -0.00 5.44 2.43 -1.92 -3.28 114.38 114.86 3hgk h ARG 183 Ca -0.51 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3hgk h ARG 183 Cb 1.29 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 3hgk h ARG 183 CO 0.55 -0.29 -0.18 -0.25 -1.51 0.00 0.00 179.97 178.28 3hgk n ASP 184 N -5.29 0.58 -4.49 -3.80 8.00 -1.26 -4.62 116.55 105.68 3hgk n ASP 184 Ca -0.11 -0.54 -0.45 0.00 0.71 0.00 0.00 54.79 54.40 3hgk n ASP 184 Cb 0.25 -0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.26 3hgk n ASP 184 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3hgk n SER 185 N -0.97 1.96 -0.07 -2.24 2.88 -1.24 -4.79 113.62 109.15 3hgk n SER 185 Ca 0.12 0.15 -0.11 0.00 -1.33 0.00 0.00 58.87 57.71 3hgk n SER 185 Cb 0.31 -1.30 -0.05 0.00 -0.75 0.00 0.00 64.21 62.41 3hgk n SER 185 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3hgk h GLU 186 N 14.14 -0.37 -0.82 -1.46 4.81 -1.92 -0.11 114.58 128.85 3hgk h GLU 186 Ca -0.24 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.18 3hgk h GLU 186 Cb 1.30 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 30.67 3hgk h GLU 186 CO 1.10 -0.25 0.37 1.25 -0.73 0.00 0.00 179.01 180.75 3hgk h LEU 187 N -0.39 0.38 -0.52 1.64 5.85 -1.91 0.81 115.31 121.18 3hgk h LEU 187 Ca 0.11 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3hgk h LEU 187 Cb 0.59 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3hgk h LEU 187 CO -0.49 0.13 0.31 0.00 -0.34 0.00 0.00 178.44 178.05 3hgk h ALA 188 N 1.58 0.66 -0.01 1.25 0.00 -1.44 -0.20 119.26 121.10 3hgk h ALA 188 Ca 0.46 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 3hgk h ALA 188 Cb 0.72 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hgk h ALA 188 CO -0.41 0.15 0.00 0.82 0.00 0.00 0.00 179.25 179.81 3hgk h ILE 189 N 0.70 1.03 -0.94 0.00 2.04 0.71 -1.55 117.51 119.51 3hgk h ILE 189 Ca 0.19 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.97 3hgk h ILE 189 Cb -0.01 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 3hgk h ILE 189 CO -0.04 0.03 0.62 -0.33 0.00 0.00 0.00 178.15 178.43 3hgk h GLU 190 N -0.03 1.19 -0.37 2.37 4.39 -0.93 -2.29 114.58 118.92 3hgk h GLU 190 Ca 0.00 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 3hgk h GLU 190 Cb 0.04 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.40 3hgk h GLU 190 CO -0.00 0.79 0.02 1.25 -1.16 0.00 0.00 179.01 179.91 3hgk h LEU 191 N 1.23 0.53 -0.86 1.33 5.85 -0.71 0.32 115.31 123.01 3hgk h LEU 191 Ca 0.36 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3hgk h LEU 191 Cb -0.08 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 3hgk h LEU 191 CO -0.09 0.59 0.47 -0.09 -0.34 0.00 0.00 178.44 178.98 3hgk h ARG 192 N 0.55 1.21 -0.02 1.25 2.43 -0.71 -1.49 114.38 117.59 3hgk h ARG 192 Ca 0.12 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3hgk h ARG 192 Cb 0.32 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3hgk h ARG 192 CO 0.01 0.88 -0.07 0.78 -1.51 0.00 0.00 179.97 180.07 3hgk h GLY 193 N 1.21 0.08 0.15 2.80 0.00 -1.17 -2.48 103.07 103.66 3hgk h GLY 193 Ca 0.30 -0.11 0.16 0.00 0.00 0.00 0.00 47.33 47.69 3hgk h GLY 193 CO -0.05 0.10 0.44 0.00 0.00 0.00 0.00 176.54 177.03 3hgk h ALA 194 N 0.37 1.34 0.33 3.60 0.00 -0.21 -1.03 119.26 123.65 3hgk h ALA 194 Ca -0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hgk h ALA 194 Cb 0.72 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hgk h ALA 194 CO 0.01 -0.13 -0.16 -0.07 0.00 0.00 0.00 179.25 178.91 3hgk h LEU 195 N 0.60 -0.37 -0.99 0.00 4.07 -1.37 -3.03 115.31 114.21 3hgk h LEU 195 Ca 0.49 -0.16 0.29 0.00 0.08 0.00 0.00 57.88 58.57 3hgk h LEU 195 Cb 0.74 0.10 -0.14 0.00 1.08 0.00 0.00 40.66 42.44 3hgk h LEU 195 CO -0.39 0.08 0.55 -0.09 -1.08 0.00 0.00 178.44 177.51 3hgk h ARG 196 N -0.95 0.40 0.01 1.13 2.43 -0.87 0.25 114.38 116.78 3hgk h ARG 196 Ca -0.04 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3hgk h ARG 196 Cb 0.51 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3hgk h ARG 196 CO 0.07 0.26 -0.01 0.00 -1.51 0.00 0.00 179.97 178.79 3hgk h ARG 197 N 0.41 -0.02 -0.63 0.20 3.08 -1.34 -3.22 114.38 112.86 3hgk h ARG 197 Ca 0.69 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.84 3hgk h ARG 197 Cb 1.47 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.48 3hgk h ARG 197 CO -0.56 0.48 0.42 0.00 -1.07 0.00 0.00 179.97 179.24 3hgk h ALA 198 N 0.46 1.99 -0.77 0.04 0.00 -0.61 0.03 119.26 120.40 3hgk h ALA 198 Ca -0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3hgk h ALA 198 Cb 0.50 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3hgk h ALA 198 CO 0.00 -0.13 0.50 0.28 0.00 0.00 0.00 179.25 179.91 3hgk h VAL 199 N 0.45 1.03 -0.01 0.00 2.07 -0.67 -3.51 116.25 115.60 3hgk h VAL 199 Ca 0.29 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3hgk h VAL 199 Cb 0.55 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3hgk h VAL 199 CO -0.09 0.15 0.00 1.41 0.02 0.00 0.00 177.57 179.06