#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 1.15 0.09 4.61 0.00 -1.26 -4.71 120.51 120.39 3hgk n ALA 125 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3hgk n ALA 125 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 1.45 -0.17 0.00 2.07 -1.96 0.50 116.25 118.15 3hgk h VAL 126 Ca 0.00 -2.36 -0.06 0.00 0.82 0.00 0.00 66.70 65.10 3hgk h VAL 126 Cb 0.00 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3hgk h VAL 126 CO 0.00 0.69 -0.15 0.00 0.02 0.00 0.00 177.57 178.13 3hgk h ALA 127 N 1.08 0.24 0.27 1.67 0.00 -2.01 -2.96 119.26 117.56 3hgk h ALA 127 Ca -0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3hgk h ALA 127 Cb 1.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hgk h ALA 127 CO 0.12 0.13 -0.13 1.25 0.00 0.00 0.00 179.25 180.61 3hgk h HIS 128 N 0.05 -0.34 -0.78 0.00 2.76 -1.83 -3.15 115.15 111.85 3hgk h HIS 128 Ca 0.03 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.37 3hgk h HIS 128 Cb 0.67 0.11 -0.12 0.00 1.55 0.00 0.00 27.41 29.62 3hgk h HIS 128 CO 0.08 -0.10 0.17 0.00 -1.30 0.00 0.00 177.93 176.78 3hgk h ALA 129 N 0.14 1.02 -0.79 5.26 0.00 -0.97 -0.41 119.26 123.52 3hgk h ALA 129 Ca -0.04 0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3hgk h ALA 129 Cb 0.39 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 3hgk h ALA 129 CO 0.06 -0.38 0.49 -0.91 0.00 0.00 0.00 179.25 178.50 3hgk h ASN 130 N 0.23 0.77 -0.91 0.00 2.35 -1.50 -1.65 115.58 114.87 3hgk h ASN 130 Ca 0.46 0.01 0.21 0.00 -0.55 0.00 0.00 56.30 56.43 3hgk h ASN 130 Cb 0.83 -0.15 -0.12 0.00 0.05 0.00 0.00 38.32 38.93 3hgk h ASN 130 CO -0.58 0.50 0.44 0.28 -1.65 0.00 0.00 177.43 176.43 3hgk h SER 131 N 0.91 0.44 -0.05 5.81 0.02 -1.03 -0.21 113.55 119.43 3hgk h SER 131 Ca 0.34 0.14 -0.23 0.00 -0.84 0.00 0.00 61.79 61.20 3hgk h SER 131 Cb 0.13 0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.77 3hgk h SER 131 CO -0.16 0.06 -0.83 0.40 -1.14 0.00 0.00 176.83 175.16 3hgk h ILE 132 N 0.48 1.29 -0.71 3.27 2.04 -1.26 -2.01 117.51 120.61 3hgk h ILE 132 Ca 0.56 -2.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.32 3hgk h ILE 132 Cb 1.01 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 39.15 3hgk h ILE 132 CO -0.48 0.65 0.34 0.58 0.00 0.00 0.00 178.15 179.23 3hgk h VAL 133 N 0.47 1.23 0.69 1.67 2.07 -1.00 -2.41 116.25 118.97 3hgk h VAL 133 Ca -0.07 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 3hgk h VAL 133 Cb 1.46 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3hgk h VAL 133 CO 0.17 0.27 -0.38 1.56 0.02 0.00 0.00 177.57 179.20 3hgk h GLN 134 N 1.01 -0.96 -0.32 1.57 1.08 -0.83 -1.73 115.11 114.93 3hgk h GLN 134 Ca 0.25 0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.55 3hgk h GLN 134 Cb 0.11 0.22 -0.07 0.00 -0.05 0.00 0.00 27.48 27.69 3hgk h GLN 134 CO -0.03 -0.64 -0.45 1.96 -0.95 0.00 0.00 178.83 178.72 3hgk h GLN 135 N -1.00 -0.31 -0.98 1.46 4.20 -1.30 0.76 115.11 117.93 3hgk h GLN 135 Ca -0.09 0.02 0.14 0.00 0.06 0.00 0.00 58.65 58.78 3hgk h GLN 135 Cb 0.79 0.07 -0.15 0.00 0.30 0.00 0.00 27.48 28.49 3hgk h GLN 135 CO 0.12 -0.21 -0.42 1.28 -0.67 0.00 0.00 178.83 178.93 3hgk n LEU 136 N -4.86 -0.71 -0.11 1.46 4.77 -0.91 0.24 117.00 116.89 3hgk n LEU 136 Ca -0.03 1.72 -0.12 0.00 -0.03 0.00 0.00 56.01 57.56 3hgk n LEU 136 Cb 0.28 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 3hgk n LEU 136 CO 0.01 -1.52 0.69 0.58 -1.33 0.00 0.00 177.39 175.81 3hgk h VAL 137 N 0.00 1.29 0.00 4.08 2.07 -0.44 0.44 116.25 123.68 3hgk h VAL 137 Ca 0.31 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 3hgk h VAL 137 Cb 0.56 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3hgk h VAL 137 CO -0.97 0.39 -0.23 0.77 0.02 0.00 0.00 177.57 177.55 3hgk h SER 138 N 0.42 0.00 -0.93 0.57 4.64 0.30 -1.77 113.55 116.77 3hgk h SER 138 Ca 0.08 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.94 3hgk h SER 138 Cb 0.63 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.44 3hgk h SER 138 CO 0.04 0.23 0.59 -0.62 -0.87 0.00 0.00 176.83 176.19 3hgk n GLU 139 N -3.80 2.42 -0.07 4.77 1.02 0.67 -4.92 120.64 120.73 3hgk n GLU 139 Ca -0.02 -2.92 0.00 0.00 -0.02 0.00 0.00 57.16 54.20 3hgk n GLU 139 Cb 0.33 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 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 -0.96 0.48 3.66 0.62 0.00 -0.67 -4.90 105.19 103.43 3hgk n GLY 140 Ca 0.55 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 46.07 3hgk n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hgk n ALA 141 N 0.85 0.70 -1.60 4.61 0.00 0.15 -4.83 120.51 120.39 3hgk n ALA 141 Ca 0.00 0.25 -0.38 0.00 0.00 0.00 0.00 53.44 53.31 3hgk n ALA 141 Cb 0.00 -2.46 -0.03 0.00 0.00 0.00 0.00 19.45 16.96 3hgk n ALA 141 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hgk s ASP 142 N 4.48 4.79 0.56 0.00 2.15 -1.26 -4.14 116.67 123.25 3hgk s ASP 142 Ca 0.96 1.31 0.33 0.00 0.43 0.00 0.00 52.55 55.58 3hgk s ASP 142 Cb -0.78 -2.50 1.64 0.00 -0.30 0.00 0.00 42.92 40.98 3hgk s ASP 142 CO 0.54 -2.57 2.11 0.16 -0.17 0.00 0.00 175.17 175.24 3hgk h ILE 143 N 7.49 0.29 0.15 4.11 3.07 -1.89 -2.60 117.51 128.13 3hgk h ILE 143 Ca -0.29 -0.43 -0.01 0.00 1.55 0.00 0.00 64.86 65.68 3hgk h ILE 143 Cb 1.25 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 39.13 3hgk h ILE 143 CO 1.10 0.06 -0.07 0.77 -1.05 0.00 0.00 178.15 178.96 3hgk h SER 144 N 0.00 -0.17 -0.58 2.16 4.64 -1.97 -2.25 113.55 115.38 3hgk h SER 144 Ca -0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3hgk h SER 144 Cb 0.32 0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 3hgk h SER 144 CO 0.01 -0.09 0.37 -0.74 -0.87 0.00 0.00 176.83 175.51 3hgk h HIS 145 N -0.24 0.73 -0.99 4.77 -0.00 -1.88 -2.61 115.15 114.94 3hgk h HIS 145 Ca -0.02 0.01 0.18 0.00 -0.00 0.00 0.00 60.37 60.54 3hgk h HIS 145 Cb 0.19 -0.25 -0.09 0.00 -0.00 0.00 0.00 27.41 27.26 3hgk h HIS 145 CO -0.06 0.47 0.61 1.15 -0.00 0.00 0.00 177.93 180.11 3hgk h THR 146 N 0.78 0.75 -0.69 6.26 2.02 -1.30 0.14 112.91 120.86 3hgk h THR 146 Ca 0.21 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 3hgk h THR 146 Cb -0.07 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.23 3hgk h THR 146 CO -0.04 0.14 0.35 0.03 0.37 0.00 0.00 175.52 176.36 3hgk h ARG 147 N 0.76 0.99 -0.86 6.66 3.08 -1.02 -2.27 114.38 121.71 3hgk h ARG 147 Ca 0.54 -0.14 0.04 0.00 0.07 0.00 0.00 59.98 60.49 3hgk h ARG 147 Cb 0.85 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 3hgk h ARG 147 CO -0.32 0.77 0.57 -0.91 -1.07 0.00 0.00 179.97 179.01 3hgk h ASN 148 N 0.96 0.92 0.29 7.04 2.35 -0.60 -1.02 115.58 125.52 3hgk h ASN 148 Ca 0.24 -0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.78 3hgk h ASN 148 Cb 0.10 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 3hgk h ASN 148 CO -0.03 0.63 -0.83 0.24 -1.65 0.00 0.00 177.43 175.78 3hgk h MET 149 N 1.06 0.42 -0.04 0.81 2.86 -1.24 -1.60 114.93 117.20 3hgk h MET 149 Ca 0.35 -0.39 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 3hgk h MET 149 Cb 0.05 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 3hgk h MET 149 CO -0.11 1.05 -0.37 1.25 1.06 0.00 0.00 176.91 179.79 3hgk h LEU 150 N 0.26 0.07 0.19 1.22 5.85 -0.81 0.75 115.31 122.85 3hgk h LEU 150 Ca -0.05 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3hgk h LEU 150 Cb 1.44 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.45 3hgk h LEU 150 CO 0.14 0.44 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.50 3hgk h ARG 151 N 0.06 -0.25 -0.81 1.25 2.43 -1.19 -2.65 114.38 113.23 3hgk h ARG 151 Ca 0.01 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.32 3hgk h ARG 151 Cb 0.69 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.24 3hgk h ARG 151 CO 0.05 0.13 0.53 -0.91 -1.51 0.00 0.00 179.97 178.26 3hgk h ASN 152 N -0.71 0.56 -0.09 -3.80 4.21 -0.82 -1.07 115.58 113.86 3hgk h ASN 152 Ca -0.03 0.03 -0.06 0.00 1.21 0.00 0.00 56.30 57.45 3hgk h ASN 152 Cb 0.49 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 3hgk h ASN 152 CO 0.04 0.30 -0.19 0.00 -1.29 0.00 0.00 177.43 176.30 3hgk h ALA 153 N 1.62 0.15 -0.13 -0.83 0.00 0.52 0.52 119.26 121.11 3hgk h ALA 153 Ca 0.39 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 3hgk h ALA 153 Cb 0.68 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.46 3hgk h ALA 153 CO -0.15 0.08 -0.71 0.52 0.00 0.00 0.00 179.25 178.99 3hgk h MET 154 N -0.17 0.71 -0.89 0.00 2.86 -1.16 -2.94 114.93 113.35 3hgk h MET 154 Ca 0.00 -0.59 0.10 0.00 -2.06 0.00 0.00 59.70 57.16 3hgk h MET 154 Cb 0.77 0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.49 3hgk h MET 154 CO 0.04 1.20 0.58 -0.91 1.06 0.00 0.00 176.91 178.88 3hgk h ASN 155 N 0.40 0.79 -0.03 1.22 2.35 -1.31 -3.42 115.58 115.59 3hgk h ASN 155 Ca -0.05 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3hgk h ASN 155 Cb 1.35 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3hgk h ASN 155 CO 0.15 0.46 0.00 0.61 -1.65 0.00 0.00 177.43 176.99 3hgk n GLY 156 N -1.41 1.43 3.77 2.83 0.00 -1.05 -5.10 105.19 105.66 3hgk n GLY 156 Ca 0.15 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.05 5.46 -0.21 1.61 1.01 0.18 -5.03 116.67 117.64 3hgk s ASP 157 Ca 0.00 -0.07 -0.39 0.00 0.71 0.00 0.00 52.55 52.80 3hgk s ASP 157 Cb 0.00 -1.43 -0.16 0.00 1.01 0.00 0.00 42.92 42.34 3hgk s ASP 157 CO 0.00 0.14 1.70 0.00 0.21 0.00 0.00 175.17 177.22 3hgk n ALA 158 N 0.21 -0.23 -2.94 5.23 0.00 -1.26 -4.31 120.51 117.21 3hgk n ALA 158 Ca -0.09 0.40 -0.21 0.00 0.00 0.00 0.00 53.44 53.54 3hgk n ALA 158 Cb 0.53 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.73 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 3.14 5.08 -0.42 0.00 -7.23 -1.26 -4.93 120.40 114.78 3hgk s VAL 159 Ca 0.96 -1.08 0.08 0.00 -1.81 0.00 0.00 61.98 60.14 3hgk s VAL 159 Cb -1.03 -3.76 0.31 0.00 0.56 0.00 0.00 36.38 32.45 3hgk s VAL 159 CO 0.62 -0.33 0.86 0.00 -0.31 0.00 0.00 175.10 175.93 3hgk n ALA 160 N -1.36 0.54 -1.18 1.32 0.00 -1.26 -5.14 120.51 113.43 3hgk n ALA 160 Ca -0.09 -2.40 -0.34 0.00 0.00 0.00 0.00 53.44 50.61 3hgk n ALA 160 Cb 0.57 -1.06 0.12 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.78 1.89 0.58 0.00 0.08 -1.26 -5.03 117.98 113.45 3hgk s PHE 161 Ca 0.32 1.65 -0.05 0.00 0.12 0.00 0.00 56.93 58.97 3hgk s PHE 161 Cb 0.28 -3.47 0.01 0.00 -0.57 0.00 0.00 43.02 39.27 3hgk s PHE 161 CO -0.10 -2.76 0.87 -1.54 -0.10 0.00 0.00 175.22 171.59 3hgk s SER 162 N -2.16 5.53 0.22 1.36 1.04 -1.26 -4.85 113.70 113.59 3hgk s SER 162 Ca 0.73 0.58 -0.08 0.00 0.48 0.00 0.00 55.95 57.66 3hgk s SER 162 Cb -0.28 -1.57 0.29 0.00 0.10 0.00 0.00 66.02 64.56 3hgk s SER 162 CO 0.49 -1.06 1.81 0.03 0.98 0.00 0.00 173.24 175.49 3hgk h ARG 163 N -0.11 0.70 0.15 4.02 3.08 -1.99 0.18 114.38 120.41 3hgk h ARG 163 Ca -0.45 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.55 3hgk h ARG 163 Cb 1.26 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 3hgk h ARG 163 CO 0.60 0.46 -0.17 0.28 -1.07 0.00 0.00 179.97 180.07 3hgk h VAL 164 N 0.72 0.00 -0.55 2.04 2.07 -1.95 -3.04 116.25 115.54 3hgk h VAL 164 Ca 0.33 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.91 3hgk h VAL 164 Cb 0.24 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.96 3hgk h VAL 164 CO -0.21 0.00 0.26 -0.33 0.02 0.00 0.00 177.57 177.31 3hgk h GLU 165 N -0.33 0.48 -0.68 1.57 5.08 -1.89 -2.77 114.58 116.04 3hgk h GLU 165 Ca -0.02 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3hgk h GLU 165 Cb 0.29 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3hgk h GLU 165 CO -0.03 0.32 0.25 0.37 -1.00 0.00 0.00 179.01 178.92 3hgk h GLN 166 N 0.49 1.01 0.00 2.33 4.15 -0.70 -1.97 115.11 120.41 3hgk h GLN 166 Ca 0.25 -0.18 -0.10 0.00 0.77 0.00 0.00 58.65 59.39 3hgk h GLN 166 Cb 0.20 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 3hgk h GLN 166 CO -0.20 0.83 -0.49 -0.97 -1.93 0.00 0.00 178.83 176.08 3hgk h ASN 167 N 0.98 0.00 -0.38 -0.69 -0.73 -1.41 -2.76 115.58 110.60 3hgk h ASN 167 Ca 0.23 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.36 3hgk h ASN 167 Cb 0.21 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.79 3hgk h ASN 167 CO -0.02 0.48 0.10 0.40 -0.37 0.00 0.00 177.43 178.02 3hgk h ILE 168 N 0.00 1.22 -0.46 2.57 2.04 -1.19 -3.29 117.51 118.41 3hgk h ILE 168 Ca -0.01 -0.76 -0.08 0.00 1.00 0.00 0.00 64.86 65.02 3hgk h ILE 168 Cb 1.37 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 3hgk h ILE 168 CO 0.06 0.26 -0.02 -0.26 0.00 0.00 0.00 178.15 178.20 3hgk h PHE 169 N 0.46 0.89 0.00 1.37 0.05 -1.32 -3.05 116.94 115.34 3hgk h PHE 169 Ca 0.12 -0.16 -0.00 0.00 3.82 0.00 0.00 57.97 61.74 3hgk h PHE 169 Cb 0.30 -0.23 -0.00 0.00 2.00 0.00 0.00 35.95 38.02 3hgk h PHE 169 CO 0.02 0.87 -0.02 -0.09 -0.18 0.00 0.00 178.31 178.90 3hgk h ARG 170 N 0.66 0.00 -0.46 1.51 2.43 -1.55 0.44 114.38 117.41 3hgk h ARG 170 Ca 0.13 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 3hgk h ARG 170 Cb 0.52 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3hgk h ARG 170 CO 0.03 0.02 -0.23 1.96 -1.51 0.00 0.00 179.97 180.23 3hgk h GLN 171 N 0.00 0.96 0.05 0.20 4.20 -1.60 -3.24 115.11 115.68 3hgk h GLN 171 Ca -0.00 -0.43 -0.34 0.00 0.06 0.00 0.00 58.65 57.95 3hgk h GLN 171 Cb 0.12 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 3hgk h GLN 171 CO 0.00 1.10 -1.96 0.72 -0.67 0.00 0.00 178.83 178.02 3hgk n HIS 172 N -4.13 0.90 -3.79 2.96 8.25 0.09 -4.53 115.22 114.98 3hgk n HIS 172 Ca -0.01 0.26 -0.34 0.00 -0.26 0.00 0.00 57.72 57.37 3hgk n HIS 172 Cb 0.47 -1.14 -0.11 0.00 1.12 0.00 0.00 29.99 30.33 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 -2.57 3.42 0.09 4.41 0.08 0.13 -4.97 117.98 118.57 3hgk s PHE 173 Ca -0.14 -2.94 -0.24 0.00 0.12 0.00 0.00 56.93 53.72 3hgk s PHE 173 Cb 0.07 -3.06 -0.15 0.00 -0.57 0.00 0.00 43.02 39.32 3hgk s PHE 173 CO 0.79 -0.77 1.72 -1.00 -0.10 0.00 0.00 175.22 175.86 3hgk h PRO 174 N 6.59 -0.10 -0.51 0.24 0.13 -1.79 -1.81 132.00 134.75 3hgk h PRO 174 Ca 0.01 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3hgk h PRO 174 Cb 0.90 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3hgk h PRO 174 CO 0.72 -0.07 0.00 0.09 -0.23 0.00 0.00 178.00 178.52 3hgk n ASN 175 N -5.14 0.51 -0.36 1.44 5.03 -1.26 -4.26 115.26 111.21 3hgk n ASN 175 Ca -0.07 -1.68 0.10 0.00 0.87 0.00 0.00 54.58 53.79 3hgk n ASN 175 Cb 0.08 -0.25 0.27 0.00 -1.02 0.00 0.00 39.78 38.86 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 0.10 0.87 -0.61 3.52 4.05 -1.68 0.37 114.93 121.55 3hgk h MET 176 Ca 0.00 -0.05 0.10 0.00 -0.28 0.00 0.00 59.70 59.46 3hgk h MET 176 Cb 0.25 -0.20 -0.07 0.00 -0.80 0.00 0.00 31.60 30.78 3hgk h MET 176 CO 0.00 0.58 0.22 -1.35 0.23 0.00 0.00 176.91 176.59 3hgk h PRO 177 N 0.90 0.38 0.00 0.39 0.11 -1.84 -3.13 132.00 128.81 3hgk h PRO 177 Ca 0.53 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.62 3hgk h PRO 177 Cb 0.66 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3hgk h PRO 177 CO -0.32 0.25 -0.33 -1.33 -0.21 0.00 0.00 178.00 176.07 3hgk n MET 178 N -5.01 0.24 0.04 1.05 2.81 -0.78 -4.80 117.12 110.68 3hgk n MET 178 Ca 0.09 0.30 -0.05 0.00 -1.81 0.00 0.00 57.70 56.23 3hgk n MET 178 Cb 0.28 -1.15 -0.03 0.00 -0.71 0.00 0.00 33.22 31.62 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 -0.50 -0.19 -3.78 2.03 3.86 -0.44 -3.50 115.15 112.63 3hgk h HIS 179 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3hgk h HIS 179 Cb 0.33 0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.86 3hgk h HIS 179 CO -0.14 -0.01 -0.80 0.41 0.86 0.00 0.00 177.93 178.25 3hgk n GLY 180 N 1.18 -5.10 0.11 2.45 0.00 -0.98 -4.77 105.19 98.08 3hgk n GLY 180 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 1.55 0.00 -1.46 -0.61 5.41 -1.26 -4.92 119.36 118.07 3hgk n ILE 181 Ca 0.00 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.46 3hgk n ILE 181 Cb 0.00 0.00 0.19 0.00 -0.71 0.00 0.00 39.64 39.12 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 0.00 2.45 -0.03 4.38 0.15 -1.26 -4.07 113.70 115.31 3hgk s SER 182 Ca 0.00 0.68 -0.25 0.00 0.70 0.00 0.00 55.95 57.09 3hgk s SER 182 Cb 0.00 -1.02 -0.21 0.00 -1.71 0.00 0.00 66.02 63.09 3hgk s SER 182 CO 0.00 -3.18 1.16 -0.09 1.20 0.00 0.00 173.24 172.32 3hgk h ARG 183 N -1.94 0.12 -0.00 5.44 2.43 -1.91 -3.35 114.38 115.17 3hgk h ARG 183 Ca -0.47 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 3hgk h ARG 183 Cb 1.29 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3hgk h ARG 183 CO 0.46 0.72 -0.20 -0.25 -1.51 0.00 0.00 179.97 179.19 3hgk n ASP 184 N -4.67 0.48 -4.56 -3.80 8.00 -1.26 -4.61 116.55 106.13 3hgk n ASP 184 Ca -0.09 -0.37 -0.48 0.00 0.71 0.00 0.00 54.79 54.57 3hgk n ASP 184 Cb 0.37 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.38 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 -1.12 2.86 -0.10 -2.24 2.88 -1.26 -4.82 113.62 109.82 3hgk n SER 185 Ca 0.11 0.52 -0.14 0.00 -1.33 0.00 0.00 58.87 58.02 3hgk n SER 185 Cb 0.31 -1.38 -0.10 0.00 -0.75 0.00 0.00 64.21 62.29 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 12.24 -0.44 -0.82 -1.46 4.81 -1.94 -1.28 114.58 125.69 3hgk h GLU 186 Ca -0.38 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.04 3hgk h GLU 186 Cb 1.28 0.10 -0.10 0.00 0.63 0.00 0.00 28.75 30.66 3hgk h GLU 186 CO 0.98 -0.30 0.38 1.25 -0.73 0.00 0.00 179.01 180.59 3hgk h LEU 187 N -0.46 0.40 -0.73 1.64 5.85 -1.90 0.31 115.31 120.43 3hgk h LEU 187 Ca 0.06 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3hgk h LEU 187 Cb 0.62 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 3hgk h LEU 187 CO -0.54 0.14 0.44 0.00 -0.34 0.00 0.00 178.44 178.15 3hgk h ALA 188 N 1.57 0.92 -0.37 1.25 0.00 -1.71 0.19 119.26 121.11 3hgk h ALA 188 Ca 0.46 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 3hgk h ALA 188 Cb 0.70 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hgk h ALA 188 CO -0.40 0.39 0.12 0.82 0.00 0.00 0.00 179.25 180.18 3hgk h ILE 189 N 0.99 1.21 -0.42 0.00 2.04 0.10 -1.88 117.51 119.55 3hgk h ILE 189 Ca 0.26 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3hgk h ILE 189 Cb -0.05 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3hgk h ILE 189 CO -0.05 0.23 0.23 -0.33 0.00 0.00 0.00 178.15 178.24 3hgk h GLU 190 N 0.45 0.59 -0.43 2.37 4.39 -0.79 -2.82 114.58 118.35 3hgk h GLU 190 Ca 0.12 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 3hgk h GLU 190 Cb 0.24 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3hgk h GLU 190 CO -0.01 0.47 0.09 1.25 -1.16 0.00 0.00 179.01 179.66 3hgk h LEU 191 N 0.55 0.60 -0.61 1.33 5.85 -0.50 0.46 115.31 122.99 3hgk h LEU 191 Ca 0.15 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3hgk h LEU 191 Cb 0.05 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3hgk h LEU 191 CO -0.02 0.61 0.40 -0.09 -0.34 0.00 0.00 178.44 179.00 3hgk h ARG 192 N 0.63 0.80 0.25 1.25 2.43 -1.10 -0.64 114.38 117.99 3hgk h ARG 192 Ca 0.14 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3hgk h ARG 192 Cb 0.26 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3hgk h ARG 192 CO -0.00 0.53 -0.12 0.78 -1.51 0.00 0.00 179.97 179.65 3hgk h GLY 193 N 0.82 -0.35 -0.80 2.80 0.00 -1.25 -1.78 103.07 102.52 3hgk h GLY 193 Ca 0.23 0.13 0.40 0.00 0.00 0.00 0.00 47.33 48.09 3hgk h GLY 193 CO -0.05 -0.13 0.98 0.00 0.00 0.00 0.00 176.54 177.34 3hgk h ALA 194 N -0.47 3.22 0.00 3.60 0.00 0.03 0.18 119.26 125.81 3hgk h ALA 194 Ca -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hgk h ALA 194 Cb 0.50 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3hgk h ALA 194 CO 0.06 -1.64 -0.05 -0.07 0.00 0.00 0.00 179.25 177.55 3hgk h LEU 195 N 0.04 0.00 -0.94 0.00 4.07 -1.17 -3.27 115.31 114.03 3hgk h LEU 195 Ca 0.68 -0.11 0.26 0.00 0.08 0.00 0.00 57.88 58.79 3hgk h LEU 195 Cb 2.60 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 44.18 3hgk h LEU 195 CO -0.06 0.58 0.11 -0.09 -1.08 0.00 0.00 178.44 177.90 3hgk h ARG 196 N -1.00 0.06 0.92 1.13 2.43 0.20 0.20 114.38 118.32 3hgk h ARG 196 Ca -0.00 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3hgk h ARG 196 Cb 0.15 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3hgk h ARG 196 CO -0.00 0.04 -0.44 0.00 -1.51 0.00 0.00 179.97 178.06 3hgk h ARG 197 N 0.06 -1.19 -0.67 0.20 3.08 -1.24 -3.13 114.38 111.50 3hgk h ARG 197 Ca 0.59 0.08 0.19 0.00 0.07 0.00 0.00 59.98 60.91 3hgk h ARG 197 Cb 1.22 0.27 -0.03 0.00 0.08 0.00 0.00 29.97 31.52 3hgk h ARG 197 CO -0.82 -0.79 0.51 0.00 -1.07 0.00 0.00 179.97 177.80 3hgk h ALA 198 N -1.18 2.58 -0.37 0.04 0.00 -0.74 0.44 119.26 120.03 3hgk h ALA 198 Ca -0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3hgk h ALA 198 Cb 0.95 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3hgk h ALA 198 CO 0.21 -0.86 0.17 0.28 0.00 0.00 0.00 179.25 179.05 3hgk h VAL 199 N 0.00 1.13 -0.01 0.00 2.07 -1.03 -3.52 116.25 114.90 3hgk h VAL 199 Ca 0.32 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3hgk h VAL 199 Cb 1.34 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3hgk h VAL 199 CO -0.00 0.15 0.00 1.41 0.02 0.00 0.00 177.57 179.15