#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dgq s ALA 125 N 0.00 3.64 -1.56 3.04 0.00 0.22 -0.51 121.76 126.59 1dgq s ALA 125 Ca 0.00 1.25 -0.13 0.00 0.00 0.00 0.00 51.96 53.08 1dgq s ALA 125 Cb 0.00 -3.79 0.10 0.00 0.00 0.00 0.00 23.12 19.43 1dgq s ALA 125 CO 0.00 -1.39 0.87 0.43 0.00 0.00 0.00 175.76 175.67 1dgq n SER 126 N 6.78 -3.83 -2.26 0.00 7.64 -1.26 -0.44 113.62 120.25 1dgq n SER 126 Ca 0.18 -0.87 -0.05 0.00 1.01 0.00 0.00 58.87 59.15 1dgq n SER 126 Cb 0.41 -3.51 -0.01 0.00 -1.01 0.00 0.00 64.21 60.09 1dgq n SER 126 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1dgq n LYS 127 N -4.55 -2.42 -0.48 1.43 4.01 0.33 -0.15 118.16 116.33 1dgq n LYS 127 Ca 0.01 0.26 0.00 0.00 -0.51 0.00 0.00 58.31 58.06 1dgq n LYS 127 Cb 0.54 -4.73 0.00 0.00 -0.51 0.00 0.00 35.03 30.33 1dgq n LYS 127 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1dgq n GLY 128 N -0.54 1.05 3.73 0.72 0.00 0.41 -4.29 105.19 106.27 1dgq n GLY 128 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1dgq n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dgq s ASN 129 N -2.82 7.04 -0.07 1.61 6.03 0.79 -4.69 114.94 122.83 1dgq s ASN 129 Ca 0.00 1.25 -0.03 0.00 -1.03 0.00 0.00 52.86 53.05 1dgq s ASN 129 Cb 0.00 -2.42 0.04 0.00 -3.03 0.00 0.00 41.25 35.84 1dgq s ASN 129 CO 0.00 -0.08 0.16 -0.69 -2.03 0.00 0.00 177.10 174.47 1dgq s VAL 130 N 0.56 -0.05 -0.51 3.54 1.01 -0.24 -0.90 120.40 123.80 1dgq s VAL 130 Ca 0.38 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.37 1dgq s VAL 130 Cb -0.18 -0.26 0.10 0.00 0.00 0.00 0.00 36.38 36.04 1dgq s VAL 130 CO 0.19 0.07 0.47 -1.81 0.00 0.00 0.00 175.10 174.03 1dgq s ASP 131 N 1.19 6.17 -0.40 3.32 1.01 0.56 -0.75 116.67 127.77 1dgq s ASP 131 Ca -0.09 -1.55 -0.13 0.00 0.71 0.00 0.00 52.55 51.48 1dgq s ASP 131 Cb -0.11 -2.21 0.03 0.00 1.01 0.00 0.00 42.92 41.64 1dgq s ASP 131 CO -0.06 -0.79 0.27 -0.22 0.21 0.00 0.00 175.17 174.58 1dgq s LEU 132 N 1.71 5.01 -0.35 1.23 0.20 0.41 -0.68 118.68 126.21 1dgq s LEU 132 Ca 0.04 -1.00 -0.19 0.00 0.69 0.00 0.00 54.13 53.68 1dgq s LEU 132 Cb -0.27 -2.10 -0.00 0.00 -0.43 0.00 0.00 46.19 43.39 1dgq s LEU 132 CO 0.05 -0.45 0.54 -0.69 -0.29 0.00 0.00 176.35 175.51 1dgq s VAL 133 N 1.62 4.99 -0.68 1.68 1.01 0.30 -0.93 120.40 128.39 1dgq s VAL 133 Ca 0.04 0.39 -0.25 0.00 0.00 0.00 0.00 61.98 62.15 1dgq s VAL 133 Cb -0.20 -3.99 0.05 0.00 0.00 0.00 0.00 36.38 32.24 1dgq s VAL 133 CO 0.08 -0.24 1.10 -0.36 0.00 0.00 0.00 175.10 175.68 1dgq s PHE 134 N 2.46 2.53 -0.98 5.22 0.08 0.17 -0.46 117.98 127.00 1dgq s PHE 134 Ca 0.20 -0.25 -0.17 0.00 0.12 0.00 0.00 56.93 56.83 1dgq s PHE 134 Cb -0.15 -4.41 0.16 0.00 -0.57 0.00 0.00 43.02 38.04 1dgq s PHE 134 CO 0.14 -1.79 1.13 -1.17 -0.10 0.00 0.00 175.22 173.43 1dgq s LEU 135 N 4.76 5.38 -0.16 -0.37 2.96 0.29 -0.51 118.68 131.02 1dgq s LEU 135 Ca 0.29 -2.42 -0.07 0.00 -0.22 0.00 0.00 54.13 51.72 1dgq s LEU 135 Cb -0.12 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1dgq s LEU 135 CO 0.14 -0.88 0.07 0.72 -1.32 0.00 0.00 176.35 175.07 1dgq s PHE 136 N 1.88 3.28 0.22 5.38 -0.71 0.10 -0.62 117.98 127.51 1dgq s PHE 136 Ca 0.32 0.14 -0.30 0.00 -1.04 0.00 0.00 56.93 56.06 1dgq s PHE 136 Cb -0.05 -2.03 -0.09 0.00 -1.21 0.00 0.00 43.02 39.64 1dgq s PHE 136 CO -0.07 0.26 1.00 0.34 -1.34 0.00 0.00 175.22 175.41 1dgq s ASP 137 N 0.07 7.49 -0.37 1.98 2.15 0.67 -0.62 116.67 128.04 1dgq s ASP 137 Ca 0.06 2.02 0.13 0.00 0.43 0.00 0.00 52.55 55.19 1dgq s ASP 137 Cb -0.12 -2.61 0.43 0.00 -0.30 0.00 0.00 42.92 40.32 1dgq s ASP 137 CO 0.01 0.01 0.97 0.61 -0.17 0.00 0.00 175.17 176.60 1dgq n GLY 138 N 1.59 3.14 3.75 2.66 0.00 0.71 -4.86 105.19 112.18 1dgq n GLY 138 Ca -0.01 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 1dgq n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dgq s SER 139 N -3.17 3.87 0.57 1.61 1.04 -1.26 -0.43 113.70 115.93 1dgq s SER 139 Ca 0.35 1.42 0.30 0.00 0.48 0.00 0.00 55.95 58.50 1dgq s SER 139 Cb 0.42 -2.12 1.46 0.00 0.10 0.00 0.00 66.02 65.88 1dgq s SER 139 CO -0.04 -2.38 1.88 0.00 0.98 0.00 0.00 173.24 173.67 1dgq h MET 140 N -1.37 0.00 -0.90 4.02 -0.00 -1.16 0.65 114.93 116.17 1dgq h MET 140 Ca -0.48 0.00 0.14 0.00 -0.00 0.00 0.00 59.70 59.36 1dgq h MET 140 Cb 1.28 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 32.81 1dgq h MET 140 CO 0.56 0.00 0.58 0.77 -0.00 0.00 0.00 176.91 178.82 1dgq h SER 141 N 0.00 0.68 -3.02 -0.10 0.02 -1.91 -3.40 113.55 105.81 1dgq h SER 141 Ca 0.31 0.04 -0.57 0.00 -0.84 0.00 0.00 61.79 60.73 1dgq h SER 141 Cb 1.43 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.84 1dgq h SER 141 CO -0.00 0.35 0.96 -0.76 -1.14 0.00 0.00 176.83 176.23 1dgq s LEU 142 N -9.85 4.00 0.34 5.07 2.01 0.22 -5.03 118.68 115.44 1dgq s LEU 142 Ca -0.10 1.43 -0.09 0.00 0.01 0.00 0.00 54.13 55.38 1dgq s LEU 142 Cb 0.22 -3.54 -0.06 0.00 0.01 0.00 0.00 46.19 42.82 1dgq s LEU 142 CO 0.79 -0.97 0.67 -1.10 1.01 0.00 0.00 176.35 176.75 1dgq s GLN 143 N 3.95 3.76 0.18 1.70 -1.52 -1.26 -4.85 119.66 121.61 1dgq s GLN 143 Ca 0.57 0.33 -0.26 0.00 -1.95 0.00 0.00 55.36 54.05 1dgq s GLN 143 Cb -0.19 -2.50 0.04 0.00 -0.22 0.00 0.00 33.01 30.14 1dgq s GLN 143 CO 0.20 0.10 1.56 -1.35 -0.25 0.00 0.00 175.29 175.55 1dgq h PRO 144 N 1.64 -0.13 -0.90 2.91 0.11 -1.97 0.51 132.00 134.17 1dgq h PRO 144 Ca -0.47 0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.79 1dgq h PRO 144 Cb 1.18 0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 1dgq h PRO 144 CO 0.65 -0.09 0.50 0.22 -0.21 0.00 0.00 178.00 179.08 1dgq h ASP 145 N -0.13 0.65 -0.00 -2.05 3.58 -1.99 0.16 116.42 116.63 1dgq h ASP 145 Ca 0.20 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.73 1dgq h ASP 145 Cb 0.53 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 1dgq h ASP 145 CO -0.81 0.29 -0.00 -0.33 -2.88 0.00 0.00 179.24 175.51 1dgq h GLU 146 N 0.72 0.01 -0.61 0.28 5.08 -1.37 -2.64 114.58 116.06 1dgq h GLU 146 Ca 0.48 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.89 1dgq h GLU 146 Cb 0.64 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1dgq h GLU 146 CO -0.34 0.40 0.34 0.35 -1.00 0.00 0.00 179.01 178.77 1dgq h PHE 147 N -0.39 0.63 -0.76 4.33 3.57 -0.31 0.10 116.94 124.12 1dgq h PHE 147 Ca 0.00 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.62 1dgq h PHE 147 Cb 0.40 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 1dgq h PHE 147 CO 0.06 0.32 0.50 1.96 -2.23 0.00 0.00 178.31 178.92 1dgq h GLN 148 N 0.65 0.64 -0.29 1.11 1.08 -0.68 0.13 115.11 117.75 1dgq h GLN 148 Ca 0.27 -0.04 -0.15 0.00 -1.45 0.00 0.00 58.65 57.27 1dgq h GLN 148 Cb 0.13 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 1dgq h GLN 148 CO -0.16 0.43 -0.44 0.87 -0.95 0.00 0.00 178.83 178.58 1dgq h LYS 149 N 0.66 0.74 -0.38 1.46 1.57 -0.65 0.17 116.57 120.14 1dgq h LYS 149 Ca 0.35 -0.41 0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1dgq h LYS 149 Cb 0.47 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 1dgq h LYS 149 CO -0.13 1.03 0.07 0.82 -0.57 0.00 0.00 179.45 180.67 1dgq h ILE 150 N 0.60 0.79 0.05 1.86 1.08 0.11 0.58 117.51 122.58 1dgq h ILE 150 Ca 0.04 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1dgq h ILE 150 Cb 0.99 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 1dgq h ILE 150 CO 0.09 0.03 -0.11 -0.07 -0.69 0.00 0.00 178.15 177.41 1dgq h LEU 151 N 0.19 -0.30 -0.63 1.44 3.38 -0.61 -2.82 115.31 115.95 1dgq h LEU 151 Ca 0.18 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.29 1dgq h LEU 151 Cb 0.22 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1dgq h LEU 151 CO -0.25 -0.16 0.25 -0.78 0.09 0.00 0.00 178.44 177.58 1dgq h ASP 152 N -0.21 0.26 0.13 -0.43 3.58 -0.16 0.51 116.42 120.09 1dgq h ASP 152 Ca 0.03 0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.57 1dgq h ASP 152 Cb 0.24 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 1dgq h ASP 152 CO -0.08 0.15 -0.36 0.15 -2.88 0.00 0.00 179.24 176.22 1dgq h PHE 153 N 0.43 -0.99 0.02 0.28 3.57 -0.78 0.30 116.94 119.78 1dgq h PHE 153 Ca 0.32 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.86 1dgq h PHE 153 Cb 0.39 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 1dgq h PHE 153 CO -0.16 -0.47 -0.10 0.52 -2.23 0.00 0.00 178.31 175.88 1dgq h MET 154 N -0.59 -0.17 -0.75 1.11 2.86 -1.14 -2.10 114.93 114.15 1dgq h MET 154 Ca 0.03 0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.84 1dgq h MET 154 Cb 0.62 0.04 -0.11 0.00 0.06 0.00 0.00 31.60 32.21 1dgq h MET 154 CO -0.21 -0.12 0.22 -0.22 1.06 0.00 0.00 176.91 177.65 1dgq h LYS 155 N -0.18 0.31 0.53 1.72 3.64 -0.66 -0.44 116.57 121.49 1dgq h LYS 155 Ca 0.03 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1dgq h LYS 155 Cb 0.22 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1dgq h LYS 155 CO -0.08 0.21 -0.29 -0.44 -2.27 0.00 0.00 179.45 176.57 1dgq h ASP 156 N 0.32 -0.71 -0.36 4.20 3.32 0.23 0.11 116.42 123.53 1dgq h ASP 156 Ca 0.42 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.57 1dgq h ASP 156 Cb 0.70 0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.39 1dgq h ASP 156 CO -0.48 -0.47 -0.03 0.58 -1.72 0.00 0.00 179.24 177.12 1dgq h VAL 157 N -0.76 0.70 -0.37 -1.35 2.07 -0.80 0.09 116.25 115.82 1dgq h VAL 157 Ca -0.07 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1dgq h VAL 157 Cb 0.61 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1dgq h VAL 157 CO 0.09 0.01 0.21 0.24 0.02 0.00 0.00 177.57 178.14 1dgq h MET 158 N 0.06 0.41 0.20 1.57 2.86 -0.87 0.26 114.93 119.43 1dgq h MET 158 Ca 0.18 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1dgq h MET 158 Cb 0.25 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1dgq h MET 158 CO -0.32 0.27 -0.10 0.87 1.06 0.00 0.00 176.91 178.69 1dgq h LYS 159 N 0.43 -0.27 -0.57 1.72 1.79 -0.17 -1.22 116.57 118.29 1dgq h LYS 159 Ca 0.15 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.66 1dgq h LYS 159 Cb 0.02 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.70 1dgq h LYS 159 CO -0.08 -0.18 0.36 0.87 -1.08 0.00 0.00 179.45 179.34 1dgq h LYS 160 N -0.28 0.69 -1.27 3.15 6.56 -0.71 -2.71 116.57 122.01 1dgq h LYS 160 Ca -0.02 -0.04 -0.69 0.00 -1.06 0.00 0.00 60.65 58.84 1dgq h LYS 160 Cb 0.22 -0.16 -0.30 0.00 -0.57 0.00 0.00 32.23 31.42 1dgq h LYS 160 CO 0.04 0.46 0.69 1.28 -2.06 0.00 0.00 179.45 179.86 1dgq n LEU 161 N -4.74 7.26 -4.66 2.94 4.77 0.06 -5.00 117.00 117.63 1dgq n LEU 161 Ca 0.04 -4.53 -0.50 0.00 -0.03 0.00 0.00 56.01 51.00 1dgq n LEU 161 Cb 0.06 -0.92 -0.05 0.00 -2.33 0.00 0.00 43.42 40.18 1dgq n LEU 161 CO 0.33 1.65 1.51 -1.20 -1.33 0.00 0.00 177.39 178.36 1dgq n SER 162 N -0.77 3.21 0.00 -1.43 7.64 -0.47 -3.89 113.62 117.91 1dgq n SER 162 Ca 0.58 0.91 0.00 0.00 1.01 0.00 0.00 58.87 61.36 1dgq n SER 162 Cb 0.57 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 1dgq n SER 162 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1dgq n ASN 163 N 6.98 0.00 0.00 6.43 5.15 -1.26 -4.87 115.26 127.69 1dgq n ASN 163 Ca 0.25 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 1dgq n ASN 163 Cb 0.27 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.52 1dgq n ASN 163 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1dgq n THR 164 N 0.00 0.00 -2.28 -0.44 -1.04 -1.25 -1.03 114.28 108.24 1dgq n THR 164 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1dgq n THR 164 Cb 0.00 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.56 1dgq n THR 164 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1dgq n SER 165 N 5.79 1.05 -4.15 8.00 3.41 -1.26 -5.05 113.62 121.41 1dgq n SER 165 Ca 0.00 -2.33 -0.35 0.00 -0.26 0.00 0.00 58.87 55.93 1dgq n SER 165 Cb 0.00 -0.33 -0.14 0.00 -0.26 0.00 0.00 64.21 63.48 1dgq n SER 165 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1dgq s TYR 166 N -0.58 3.34 -0.22 7.33 1.51 -0.20 -1.07 117.35 127.45 1dgq s TYR 166 Ca 0.31 -2.06 -0.18 0.00 -1.01 0.00 0.00 57.07 54.14 1dgq s TYR 166 Cb 0.35 -2.29 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 1dgq s TYR 166 CO -0.13 -0.84 0.48 -0.65 -1.11 0.00 0.00 175.55 173.30 1dgq s GLN 167 N 1.20 4.14 0.16 -0.62 1.11 0.07 -4.60 119.66 121.12 1dgq s GLN 167 Ca -0.03 0.32 0.05 0.00 0.01 0.00 0.00 55.36 55.71 1dgq s GLN 167 Cb -0.20 -3.59 -0.04 0.00 -1.01 0.00 0.00 33.01 28.17 1dgq s GLN 167 CO -0.02 -0.19 0.11 -0.06 0.01 0.00 0.00 175.29 175.13 1dgq s PHE 168 N 1.77 3.10 0.05 0.91 0.40 -1.26 -0.44 117.98 122.51 1dgq s PHE 168 Ca 0.22 -0.03 -0.00 0.00 -0.60 0.00 0.00 56.93 56.51 1dgq s PHE 168 Cb -0.15 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 1dgq s PHE 168 CO 0.09 0.52 -0.04 0.00 0.70 0.00 0.00 175.22 176.49 1dgq s ALA 169 N -1.71 0.53 -0.02 5.36 0.00 -0.11 -3.41 121.76 122.41 1dgq s ALA 169 Ca 0.30 -1.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 1dgq s ALA 169 Cb -0.10 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.26 1dgq s ALA 169 CO 0.22 -0.30 0.03 0.00 0.00 0.00 0.00 175.76 175.71 1dgq s ALA 170 N -3.41 0.01 -0.21 0.00 0.00 0.04 -0.66 121.76 117.53 1dgq s ALA 170 Ca 0.04 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.22 1dgq s ALA 170 Cb 0.04 -0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.05 1dgq s ALA 170 CO -0.07 -0.07 -0.14 0.08 0.00 0.00 0.00 175.76 175.56 1dgq s VAL 171 N 0.60 1.96 0.31 0.00 1.01 0.33 -0.13 120.40 124.48 1dgq s VAL 171 Ca -0.05 -1.20 -0.28 0.00 0.00 0.00 0.00 61.98 60.45 1dgq s VAL 171 Cb -0.07 -1.96 -0.09 0.00 0.00 0.00 0.00 36.38 34.26 1dgq s VAL 171 CO -0.02 0.23 1.04 -1.58 0.00 0.00 0.00 175.10 174.77 1dgq s GLN 172 N 1.26 4.56 0.07 2.72 0.74 0.12 -0.72 119.66 128.40 1dgq s GLN 172 Ca -0.02 1.62 0.02 0.00 0.05 0.00 0.00 55.36 57.03 1dgq s GLN 172 Cb -0.16 -3.01 -0.03 0.00 1.10 0.00 0.00 33.01 30.91 1dgq s GLN 172 CO -0.09 0.19 -0.08 -0.59 -0.55 0.00 0.00 175.29 174.18 1dgq s PHE 173 N -1.34 0.79 0.00 1.67 -0.71 0.21 -0.24 117.98 118.35 1dgq s PHE 173 Ca 0.48 -0.66 0.00 0.00 -1.04 0.00 0.00 56.93 55.70 1dgq s PHE 173 Cb -0.27 -0.46 0.00 0.00 -1.21 0.00 0.00 43.02 41.08 1dgq s PHE 173 CO 0.34 -0.10 0.00 0.45 -1.34 0.00 0.00 175.22 174.57 1dgq n SER 174 N 0.84 0.00 -0.33 1.98 2.88 -1.26 -0.21 113.62 117.53 1dgq n SER 174 Ca -0.18 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.43 1dgq n SER 174 Cb 0.57 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.27 1dgq n SER 174 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1dgq h THR 175 N 0.00 0.81 -2.52 2.46 2.02 -1.78 0.17 112.91 114.06 1dgq h THR 175 Ca 0.00 -0.27 -0.58 0.00 0.77 0.00 0.00 66.41 66.33 1dgq h THR 175 Cb 0.00 -0.05 -0.11 0.00 -1.74 0.00 0.00 68.15 66.26 1dgq h THR 175 CO 0.00 0.14 -0.67 -0.44 0.37 0.00 0.00 175.52 174.93 1dgq s SER 176 N -5.53 4.51 0.20 4.18 0.01 -1.26 -4.50 113.70 111.31 1dgq s SER 176 Ca -0.12 -0.58 -0.07 0.00 1.31 0.00 0.00 55.95 56.49 1dgq s SER 176 Cb 0.22 -0.84 -0.06 0.00 0.21 0.00 0.00 66.02 65.55 1dgq s SER 176 CO 0.79 0.04 0.48 -0.72 0.41 0.00 0.00 173.24 174.24 1dgq s TYR 177 N -2.06 3.45 -0.15 2.43 -0.85 -1.26 -4.42 117.35 114.49 1dgq s TYR 177 Ca 0.29 0.69 -0.04 0.00 -0.52 0.00 0.00 57.07 57.49 1dgq s TYR 177 Cb -0.07 -2.12 0.07 0.00 0.38 0.00 0.00 41.96 40.21 1dgq s TYR 177 CO 0.18 0.32 0.18 0.21 -1.52 0.00 0.00 175.55 174.93 1dgq s LYS 178 N -2.88 0.11 -0.29 -3.49 2.20 0.66 -4.98 119.74 111.07 1dgq s LYS 178 Ca 0.44 0.32 -0.28 0.00 -0.36 0.00 0.00 55.97 56.09 1dgq s LYS 178 Cb -0.11 -0.91 -0.05 0.00 -1.51 0.00 0.00 37.83 35.24 1dgq s LYS 178 CO 0.24 -0.51 2.27 0.99 -0.36 0.00 0.00 175.35 177.98 1dgq s THR 179 N 2.29 3.01 0.04 3.43 2.01 -1.26 -0.71 115.64 124.45 1dgq s THR 179 Ca 0.04 0.01 -0.21 0.00 0.31 0.00 0.00 61.69 61.84 1dgq s THR 179 Cb -0.14 -3.01 -0.14 0.00 0.01 0.00 0.00 72.50 69.21 1dgq s THR 179 CO -0.09 -0.01 1.36 -0.33 -0.69 0.00 0.00 174.62 174.86 1dgq h GLU 180 N 16.18 0.32 -2.59 4.92 4.39 -0.87 -3.47 114.58 133.45 1dgq h GLU 180 Ca -0.37 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.13 1dgq h GLU 180 Cb 1.25 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.74 1dgq h GLU 180 CO 1.01 0.69 0.16 -0.59 -1.16 0.00 0.00 179.01 179.11 1dgq s PHE 181 N -4.39 -0.55 0.49 4.33 -0.12 -0.90 -4.81 117.98 112.03 1dgq s PHE 181 Ca -0.14 0.65 0.03 0.00 -0.05 0.00 0.00 56.93 57.42 1dgq s PHE 181 Cb 0.05 0.45 0.03 0.00 -0.63 0.00 0.00 43.02 42.92 1dgq s PHE 181 CO 0.74 -0.71 0.27 -0.40 -0.05 0.00 0.00 175.22 175.07 1dgq n ASP 182 N 0.28 2.79 -0.02 1.98 5.68 -1.26 -0.78 116.55 125.22 1dgq n ASP 182 Ca -0.18 -2.82 -0.09 0.00 -0.50 0.00 0.00 54.79 51.20 1dgq n ASP 182 Cb 0.61 0.06 -0.04 0.00 -1.14 0.00 0.00 41.12 40.61 1dgq n ASP 182 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1dgq h PHE 183 N 0.81 -0.03 -0.61 2.11 0.04 -1.47 -0.79 116.94 117.00 1dgq h PHE 183 Ca -0.34 0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.54 1dgq h PHE 183 Cb 1.17 0.04 -0.07 0.00 2.20 0.00 0.00 35.95 39.28 1dgq h PHE 183 CO 0.00 -0.04 0.22 0.77 -0.60 0.00 0.00 178.31 178.66 1dgq h SER 184 N 0.03 0.20 0.08 2.17 0.02 -1.19 0.24 113.55 115.11 1dgq h SER 184 Ca 0.07 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1dgq h SER 184 Cb 0.10 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1dgq h SER 184 CO -0.14 0.12 -0.17 0.44 -1.14 0.00 0.00 176.83 175.94 1dgq h ASP 185 N 0.39 -0.47 -0.36 3.07 3.32 -1.68 0.16 116.42 120.85 1dgq h ASP 185 Ca 0.31 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.46 1dgq h ASP 185 Cb 0.40 0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 1dgq h ASP 185 CO -0.32 -0.24 0.13 0.22 -1.72 0.00 0.00 179.24 177.30 1dgq h TYR 186 N -0.32 0.22 -0.96 4.55 3.20 -0.52 0.10 116.97 123.24 1dgq h TYR 186 Ca 0.03 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.01 1dgq h TYR 186 Cb 0.35 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.50 1dgq h TYR 186 CO -0.18 0.09 0.62 0.28 -1.64 0.00 0.00 178.16 177.33 1dgq h VAL 187 N 0.28 0.99 0.41 1.81 2.07 -0.07 0.49 116.25 122.23 1dgq h VAL 187 Ca 0.16 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1dgq h VAL 187 Cb 0.14 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1dgq h VAL 187 CO -0.17 0.19 -0.20 0.50 0.02 0.00 0.00 177.57 177.91 1dgq h LYS 188 N 1.02 -0.53 0.04 1.57 3.64 0.01 -3.40 116.57 118.91 1dgq h LYS 188 Ca 0.44 0.04 -0.35 0.00 -1.27 0.00 0.00 60.65 59.51 1dgq h LYS 188 Cb 0.35 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 1dgq h LYS 188 CO -0.20 -0.26 -2.10 0.91 -2.27 0.00 0.00 179.45 175.54 1dgq n TRP 189 N -5.16 0.65 0.00 1.91 7.02 0.29 -4.99 117.44 117.16 1dgq n TRP 189 Ca -0.09 0.18 0.00 0.00 -1.02 0.00 0.00 57.50 56.58 1dgq n TRP 189 Cb 0.27 -1.10 0.00 0.00 -2.42 0.00 0.00 31.31 28.06 1dgq n TRP 189 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1dgq n LYS 190 N -3.14 0.00 -3.54 -0.99 4.76 0.17 -4.93 118.16 110.49 1dgq n LYS 190 Ca -0.30 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.73 1dgq n LYS 190 Cb 1.06 -3.38 -0.11 0.00 -1.84 0.00 0.00 35.03 30.76 1dgq n LYS 190 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1dgq s ASP 191 N -1.95 6.01 0.19 4.39 -1.08 -1.26 -4.90 116.67 118.07 1dgq s ASP 191 Ca 0.00 -0.43 -0.13 0.00 -0.52 0.00 0.00 52.55 51.47 1dgq s ASP 191 Cb 0.00 -2.12 0.10 0.00 -1.46 0.00 0.00 42.92 39.43 1dgq s ASP 191 CO 0.00 -0.23 1.85 1.55 0.52 0.00 0.00 175.17 178.86 1dgq h PRO 192 N 8.48 0.79 -0.71 4.34 0.13 -1.91 -0.23 132.00 142.88 1dgq h PRO 192 Ca -0.31 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1dgq h PRO 192 Cb 1.16 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 1dgq h PRO 192 CO 0.63 0.52 0.47 -0.44 -0.23 0.00 0.00 178.00 178.95 1dgq h ASP 193 N 0.81 0.81 0.25 1.44 5.19 -1.96 0.22 116.42 123.19 1dgq h ASP 193 Ca 0.22 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 1dgq h ASP 193 Cb -0.09 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.22 1dgq h ASP 193 CO -0.05 0.59 -0.12 0.00 -3.12 0.00 0.00 179.24 176.53 1dgq h ALA 194 N 1.26 -0.34 -0.61 3.45 0.00 -1.89 -2.93 119.26 118.20 1dgq h ALA 194 Ca 0.26 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1dgq h ALA 194 Cb -0.11 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1dgq h ALA 194 CO -0.06 -0.64 0.40 -0.07 0.00 0.00 0.00 179.25 178.88 1dgq h LEU 195 N -0.44 0.57 -0.35 0.00 3.38 -0.29 -0.70 115.31 117.48 1dgq h LEU 195 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1dgq h LEU 195 Cb 0.33 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1dgq h LEU 195 CO 0.06 0.39 0.00 0.18 0.09 0.00 0.00 178.44 179.15 1dgq n LEU 196 N -4.47 0.53 0.09 1.67 4.77 0.72 -4.06 117.00 116.25 1dgq n LEU 196 Ca 0.08 -0.20 0.17 0.00 -0.03 0.00 0.00 56.01 56.04 1dgq n LEU 196 Cb 0.18 -0.01 0.71 0.00 -2.33 0.00 0.00 43.42 41.97 1dgq n LEU 196 CO 0.34 0.10 1.16 0.07 -1.33 0.00 0.00 177.39 177.73 1dgq h LYS 197 N 0.79 0.00 0.00 3.23 2.10 -0.94 -0.77 116.57 120.98 1dgq h LYS 197 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1dgq h LYS 197 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1dgq h LYS 197 CO 0.00 0.00 0.00 1.58 -2.00 0.00 0.00 179.45 179.03 1dgq n HIS 198 N -4.26 0.17 -2.03 0.07 -0.00 -1.26 -4.73 115.22 103.17 1dgq n HIS 198 Ca 0.06 0.07 -0.26 0.00 0.46 0.00 0.00 57.72 58.04 1dgq n HIS 198 Cb 0.46 -0.61 -0.05 0.00 -0.12 0.00 0.00 29.99 29.67 1dgq n HIS 198 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1dgq s VAL 199 N -3.07 3.43 -0.50 3.57 1.01 -0.30 -4.90 120.40 119.65 1dgq s VAL 199 Ca 0.06 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 1dgq s VAL 199 Cb 0.09 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.54 1dgq s VAL 199 CO 0.28 -0.91 0.64 -0.54 0.00 0.00 0.00 175.10 174.57 1dgq s LYS 200 N 7.07 3.15 -0.07 2.72 1.02 -1.26 -5.02 119.74 127.35 1dgq s LYS 200 Ca 0.71 -0.81 -0.29 0.00 0.02 0.00 0.00 55.97 55.59 1dgq s LYS 200 Cb -0.07 -4.08 -0.07 0.00 -0.52 0.00 0.00 37.83 33.09 1dgq s LYS 200 CO -0.00 -1.22 1.93 -1.58 -0.92 0.00 0.00 175.35 173.56 1dgq s HIS 201 N 2.72 1.45 -0.01 3.18 2.46 -1.26 -4.91 115.29 118.93 1dgq s HIS 201 Ca 0.17 -0.02 -0.25 0.00 0.47 0.00 0.00 55.06 55.42 1dgq s HIS 201 Cb -0.18 -4.10 -0.19 0.00 -0.13 0.00 0.00 32.58 27.98 1dgq s HIS 201 CO 0.13 -4.68 1.29 0.52 -2.47 0.00 0.00 174.74 169.54 1dgq h MET 202 N 11.45 -0.09 -5.18 2.88 2.86 -1.94 -3.48 114.93 121.43 1dgq h MET 202 Ca -0.44 0.01 -0.28 0.00 -2.06 0.00 0.00 59.70 56.92 1dgq h MET 202 Cb 1.22 0.02 0.15 0.00 0.06 0.00 0.00 31.60 33.05 1dgq h MET 202 CO 0.95 0.31 -0.68 1.28 1.06 0.00 0.00 176.91 179.83 1dgq n LEU 203 N -4.94 -3.97 0.00 1.22 4.77 0.43 -4.92 117.00 109.59 1dgq n LEU 203 Ca -0.08 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1dgq n LEU 203 Cb 0.23 -2.81 0.00 0.00 -2.33 0.00 0.00 43.42 38.51 1dgq n LEU 203 CO 0.32 0.30 0.00 0.18 -1.33 0.00 0.00 177.39 176.86 1dgq n LEU 204 N -3.64 0.00 0.00 2.23 4.77 -1.25 -3.93 117.00 115.18 1dgq n LEU 204 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1dgq n LEU 204 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1dgq n LEU 204 CO 0.53 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.77 1dgq n LEU 205 N 0.00 0.00 -3.36 2.23 4.77 -1.26 -0.94 117.00 118.44 1dgq n LEU 205 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 1dgq n LEU 205 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1dgq n LEU 205 CO 0.00 0.00 -0.30 -0.89 -1.33 0.00 0.00 177.39 174.87 1dgq s THR 206 N 0.56 0.26 -1.41 -5.08 2.01 -1.25 -2.61 115.64 108.12 1dgq s THR 206 Ca 0.00 -2.55 -0.09 0.00 0.31 0.00 0.00 61.69 59.37 1dgq s THR 206 Cb 0.00 -1.19 0.07 0.00 0.01 0.00 0.00 72.50 71.39 1dgq s THR 206 CO 0.00 -1.18 2.38 -3.20 -0.69 0.00 0.00 174.62 171.94 1dgq n ASN 207 N 2.88 6.90 -0.05 3.53 2.85 0.59 -0.72 115.26 131.23 1dgq n ASN 207 Ca 0.29 -2.95 -0.11 0.00 -0.11 0.00 0.00 54.58 51.70 1dgq n ASN 207 Cb 0.48 -1.48 -0.05 0.00 1.24 0.00 0.00 39.78 39.97 1dgq n ASN 207 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1dgq h THR 208 N 3.18 1.20 0.33 -0.44 2.02 -1.86 0.35 112.91 117.70 1dgq h THR 208 Ca 0.65 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1dgq h THR 208 Cb 0.43 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1dgq h THR 208 CO 1.65 0.19 -0.49 -0.26 0.37 0.00 0.00 175.52 176.99 1dgq h PHE 209 N 0.09 -1.37 -0.83 3.16 0.04 -1.85 0.19 116.94 116.37 1dgq h PHE 209 Ca 0.05 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1dgq h PHE 209 Cb 0.26 0.55 -0.04 0.00 2.20 0.00 0.00 35.95 38.92 1dgq h PHE 209 CO 0.01 -0.62 0.49 0.78 -0.60 0.00 0.00 178.31 178.37 1dgq h GLY 210 N -0.87 1.21 1.11 -1.45 0.00 -1.79 -0.65 103.07 100.63 1dgq h GLY 210 Ca -0.03 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 1dgq h GLY 210 CO -0.15 0.49 0.04 0.00 0.00 0.00 0.00 176.54 176.92 1dgq h ALA 211 N 1.40 0.89 0.02 3.60 0.00 -0.57 0.12 119.26 124.72 1dgq h ALA 211 Ca 0.30 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dgq h ALA 211 Cb -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1dgq h ALA 211 CO -0.05 0.67 -0.01 0.82 0.00 0.00 0.00 179.25 180.67 1dgq h ILE 212 N 0.99 0.99 -0.36 0.00 2.04 0.01 0.47 117.51 121.64 1dgq h ILE 212 Ca 0.18 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 66.07 1dgq h ILE 212 Cb 0.51 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1dgq h ILE 212 CO 0.02 0.01 0.07 0.78 0.00 0.00 0.00 178.15 179.03 1dgq h ASN 213 N -0.04 0.01 -0.04 1.72 2.35 -0.82 0.74 115.58 119.50 1dgq h ASN 213 Ca -0.00 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 1dgq h ASN 213 Cb 0.03 0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 1dgq h ASN 213 CO 0.00 0.04 -0.32 0.22 -1.65 0.00 0.00 177.43 175.73 1dgq h TYR 214 N 0.20 -0.87 -0.31 1.19 3.20 -0.52 -2.30 116.97 117.56 1dgq h TYR 214 Ca 0.17 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.13 1dgq h TYR 214 Cb 0.20 0.39 -0.06 0.00 1.54 0.00 0.00 36.73 38.80 1dgq h TYR 214 CO -0.19 -0.40 -0.06 0.28 -1.64 0.00 0.00 178.16 176.14 1dgq h VAL 215 N -0.44 0.71 -0.76 1.81 2.07 -0.50 0.25 116.25 119.38 1dgq h VAL 215 Ca 0.07 -0.01 0.15 0.00 0.82 0.00 0.00 66.70 67.74 1dgq h VAL 215 Cb 0.55 0.69 -0.10 0.00 -1.52 0.00 0.00 31.29 30.91 1dgq h VAL 215 CO -0.29 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.58 1dgq h ALA 216 N 1.30 1.07 0.00 1.67 0.00 -0.44 -0.92 119.26 121.95 1dgq h ALA 216 Ca 0.15 0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.88 1dgq h ALA 216 Cb 0.22 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1dgq h ALA 216 CO -0.31 -0.26 -1.80 0.25 0.00 0.00 0.00 179.25 177.14 1dgq n THR 217 N -5.05 1.52 -0.05 0.00 -2.24 -0.90 -4.42 114.28 103.15 1dgq n THR 217 Ca 0.15 -0.17 -0.22 0.00 -2.27 0.00 0.00 64.05 61.55 1dgq n THR 217 Cb 0.45 -2.02 -0.13 0.00 -2.10 0.00 0.00 70.33 66.53 1dgq n THR 217 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dgq n GLU 218 N -4.36 0.67 0.01 -0.78 -0.58 0.86 -4.53 120.64 111.93 1dgq n GLU 218 Ca -0.40 0.40 -0.18 0.00 -0.42 0.00 0.00 57.16 56.57 1dgq n GLU 218 Cb 0.74 -1.72 -0.14 0.00 -0.57 0.00 0.00 31.44 29.75 1dgq n GLU 218 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1dgq h VAL 219 N -0.43 1.57 -0.01 2.62 2.07 -1.36 -3.35 116.25 117.36 1dgq h VAL 219 Ca -0.40 -2.41 -0.66 0.00 0.82 0.00 0.00 66.70 64.05 1dgq h VAL 219 Cb 1.70 3.16 0.02 0.00 -1.52 0.00 0.00 31.29 34.66 1dgq h VAL 219 CO -0.06 0.67 2.50 0.49 0.02 0.00 0.00 177.57 181.20 1dgq n PHE 220 N -4.27 2.34 -4.41 1.57 3.72 -0.41 -4.74 117.46 111.26 1dgq n PHE 220 Ca -0.12 -2.12 -0.20 0.00 -0.05 0.00 0.00 57.45 54.96 1dgq n PHE 220 Cb 0.71 -1.95 -0.15 0.00 -0.94 0.00 0.00 39.48 37.15 1dgq n PHE 220 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1dgq s ARG 221 N 4.54 0.96 0.26 -1.08 0.52 -1.26 -4.84 118.95 118.05 1dgq s ARG 221 Ca 0.55 -0.32 -0.01 0.00 -0.52 0.00 0.00 55.73 55.42 1dgq s ARG 221 Cb 0.14 -0.90 0.51 0.00 0.52 0.00 0.00 34.95 35.22 1dgq s ARG 221 CO 0.06 0.14 1.78 0.93 0.02 0.00 0.00 175.30 178.23 1dgq h GLU 222 N 6.28 0.67 -0.81 3.54 3.07 -1.89 0.63 114.58 126.07 1dgq h GLU 222 Ca -0.33 -0.04 0.13 0.00 -0.50 0.00 0.00 59.36 58.62 1dgq h GLU 222 Cb 1.17 -0.15 -0.06 0.00 -0.84 0.00 0.00 28.75 28.87 1dgq h GLU 222 CO 0.49 0.44 0.53 1.05 -1.40 0.00 0.00 179.01 180.12 1dgq h GLU 223 N 0.69 0.59 -0.33 2.33 4.11 -1.96 0.23 114.58 120.23 1dgq h GLU 223 Ca 0.45 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.85 1dgq h GLU 223 Cb 0.58 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1dgq h GLU 223 CO -0.33 0.39 0.00 1.28 0.07 0.00 0.00 179.01 180.42 1dgq n LEU 224 N -4.52 1.86 0.00 3.06 4.77 0.09 -4.89 117.00 117.37 1dgq n LEU 224 Ca 0.15 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 1dgq n LEU 224 Cb 0.45 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1dgq n LEU 224 CO 0.31 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1dgq n GLY 225 N 1.07 0.83 3.56 -0.72 0.00 0.80 -0.73 105.19 109.99 1dgq n GLY 225 Ca 0.12 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1dgq n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dgq s ALA 226 N -2.00 2.35 0.25 4.61 0.00 -0.43 -4.63 121.76 121.91 1dgq s ALA 226 Ca 0.00 -1.82 -0.30 0.00 0.00 0.00 0.00 51.96 49.84 1dgq s ALA 226 Cb 0.00 -4.49 -0.10 0.00 0.00 0.00 0.00 23.12 18.53 1dgq s ALA 226 CO 0.00 -3.97 1.47 1.03 0.00 0.00 0.00 175.76 174.29 1dgq s ARG 227 N 5.83 4.25 0.16 0.00 0.52 -1.26 -3.75 118.95 124.70 1dgq s ARG 227 Ca 0.54 2.34 -0.11 0.00 -0.52 0.00 0.00 55.73 57.97 1dgq s ARG 227 Cb -0.04 -3.10 0.05 0.00 0.52 0.00 0.00 34.95 32.38 1dgq s ARG 227 CO -0.02 -0.46 1.66 -1.00 0.02 0.00 0.00 175.30 175.50 1dgq h PRO 228 N 5.12 0.92 -0.32 3.54 0.13 -2.00 -3.03 132.00 136.37 1dgq h PRO 228 Ca -0.46 -0.24 -0.08 0.00 -0.87 0.00 0.00 66.00 64.35 1dgq h PRO 228 Cb 1.22 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1dgq h PRO 228 CO 0.79 0.88 -0.14 0.22 -0.23 0.00 0.00 178.00 179.52 1dgq h ASP 229 N 0.82 0.55 -2.49 1.44 3.58 -1.97 -3.43 116.42 114.91 1dgq h ASP 229 Ca 0.17 -0.15 -0.53 0.00 0.42 0.00 0.00 57.03 56.94 1dgq h ASP 229 Cb 0.40 -0.15 0.03 0.00 1.72 0.00 0.00 39.33 41.34 1dgq h ASP 229 CO 0.01 0.71 1.14 0.00 -2.88 0.00 0.00 179.24 178.23 1dgq s ALA 230 N -4.71 3.72 0.02 -0.78 0.00 -1.15 -4.86 121.76 114.01 1dgq s ALA 230 Ca -0.08 1.42 -0.36 0.00 0.00 0.00 0.00 51.96 52.94 1dgq s ALA 230 Cb 0.14 -3.78 -0.15 0.00 0.00 0.00 0.00 23.12 19.33 1dgq s ALA 230 CO 0.79 -1.31 1.56 2.41 0.00 0.00 0.00 175.76 179.20 1dgq n THR 231 N 4.94 0.13 -1.88 0.00 -1.04 -0.08 -4.17 114.28 112.18 1dgq n THR 231 Ca 0.18 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.77 1dgq n THR 231 Cb 0.39 -1.25 -0.02 0.00 -1.82 0.00 0.00 70.33 67.62 1dgq n THR 231 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1dgq n LYS 232 N 3.85 2.40 -3.46 -2.82 4.76 -1.26 -0.32 118.16 121.30 1dgq n LYS 232 Ca 0.20 -2.58 -0.37 0.00 -2.87 0.00 0.00 58.31 52.68 1dgq n LYS 232 Cb 0.22 -3.34 -0.07 0.00 -1.84 0.00 0.00 35.03 30.01 1dgq n LYS 232 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1dgq s VAL 233 N 5.30 5.26 -0.31 -0.18 1.01 0.15 -0.66 120.40 130.97 1dgq s VAL 233 Ca 0.55 0.63 0.03 0.00 0.00 0.00 0.00 61.98 63.20 1dgq s VAL 233 Cb 0.09 -3.68 0.09 0.00 0.00 0.00 0.00 36.38 32.88 1dgq s VAL 233 CO 0.05 0.33 0.01 -0.22 0.00 0.00 0.00 175.10 175.27 1dgq s LEU 234 N 0.79 4.15 -0.58 3.92 2.96 0.38 -0.54 118.68 129.75 1dgq s LEU 234 Ca 0.18 -1.89 -0.19 0.00 -0.22 0.00 0.00 54.13 52.01 1dgq s LEU 234 Cb -0.14 -1.53 0.09 0.00 0.50 0.00 0.00 46.19 45.12 1dgq s LEU 234 CO 0.06 -0.33 0.71 -0.63 -1.32 0.00 0.00 176.35 174.84 1dgq s ILE 235 N 1.03 4.79 0.03 6.68 1.01 0.40 -0.62 121.20 134.51 1dgq s ILE 235 Ca 0.05 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 1dgq s ILE 235 Cb -0.19 -4.48 -0.04 0.00 0.01 0.00 0.00 42.46 37.76 1dgq s ILE 235 CO -0.08 -1.10 1.09 -0.63 0.00 0.00 0.00 174.94 174.21 1dgq s ILE 236 N 2.79 4.45 -0.23 2.92 1.09 0.57 -0.54 121.20 132.25 1dgq s ILE 236 Ca 0.13 1.76 0.01 0.00 -1.10 0.00 0.00 60.65 61.45 1dgq s ILE 236 Cb -0.23 -4.13 0.04 0.00 -1.06 0.00 0.00 42.46 37.09 1dgq s ILE 236 CO 0.07 0.13 -0.13 -0.63 -0.10 0.00 0.00 174.94 174.29 1dgq s ILE 237 N 1.05 2.27 -0.06 2.92 1.01 0.21 -0.60 121.20 128.00 1dgq s ILE 237 Ca 0.55 -1.31 -0.09 0.00 0.00 0.00 0.00 60.65 59.80 1dgq s ILE 237 Cb -0.25 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.05 1dgq s ILE 237 CO 0.28 0.18 0.23 0.28 0.00 0.00 0.00 174.94 175.92 1dgq s THR 238 N 1.20 0.03 -0.83 2.92 -1.32 -0.29 -0.24 115.64 117.10 1dgq s THR 238 Ca -0.03 -0.22 0.23 0.00 -1.21 0.00 0.00 61.69 60.45 1dgq s THR 238 Cb -0.17 -0.41 -0.13 0.00 -1.51 0.00 0.00 72.50 70.28 1dgq s THR 238 CO -0.07 -0.12 1.07 -0.90 -2.21 0.00 0.00 174.62 172.38 1dgq n ASP 239 N 2.35 0.69 -4.22 8.08 5.75 -1.26 -0.47 116.55 127.47 1dgq n ASP 239 Ca -0.16 -0.49 -0.15 0.00 -0.01 0.00 0.00 54.79 53.97 1dgq n ASP 239 Cb 0.57 0.76 -0.11 0.00 -1.03 0.00 0.00 41.12 41.32 1dgq n ASP 239 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1dgq s GLY 240 N -3.28 0.98 0.77 6.12 0.00 -1.26 -2.73 107.32 107.93 1dgq s GLY 240 Ca 0.07 -1.32 -0.15 0.00 0.00 0.00 0.00 44.72 43.32 1dgq s GLY 240 CO 0.80 -1.40 1.20 1.18 0.00 0.00 0.00 173.10 174.88 1dgq n GLU 241 N 0.30 0.41 -2.40 2.90 4.71 -1.26 -4.87 120.64 120.42 1dgq n GLU 241 Ca -0.14 0.21 -0.38 0.00 -0.01 0.00 0.00 57.16 56.84 1dgq n GLU 241 Cb 0.58 -2.44 -0.02 0.00 -1.01 0.00 0.00 31.44 28.55 1dgq n GLU 241 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1dgq s ALA 242 N -1.94 2.74 0.41 0.62 0.00 -1.26 -4.65 121.76 117.69 1dgq s ALA 242 Ca 0.75 -2.60 0.20 0.00 0.00 0.00 0.00 51.96 50.31 1dgq s ALA 242 Cb -0.31 -4.65 1.14 0.00 0.00 0.00 0.00 23.12 19.29 1dgq s ALA 242 CO 0.49 -4.00 1.79 1.79 0.00 0.00 0.00 175.76 175.82 1dgq h THR 243 N 5.88 0.53 0.00 0.00 1.35 -1.26 -2.08 112.91 117.32 1dgq h THR 243 Ca 0.35 -0.12 -0.02 0.00 -0.55 0.00 0.00 66.41 66.07 1dgq h THR 243 Cb 0.90 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.46 1dgq h THR 243 CO 1.37 0.07 -0.09 -0.78 -0.25 0.00 0.00 175.52 175.84 1dgq h ASP 244 N 0.36 0.00 -5.36 5.36 3.58 -1.88 -3.46 116.42 115.02 1dgq h ASP 244 Ca 0.57 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.61 1dgq h ASP 244 Cb 1.52 0.00 0.07 0.00 1.72 0.00 0.00 39.33 42.64 1dgq h ASP 244 CO -0.26 0.09 -0.65 -1.20 -2.88 0.00 0.00 179.24 174.34 1dgq n SER 245 N -3.92 -5.88 0.00 2.28 7.64 -0.78 -4.97 113.62 107.99 1dgq n SER 245 Ca -0.02 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.39 1dgq n SER 245 Cb 0.18 -4.69 0.00 0.00 -1.01 0.00 0.00 64.21 58.69 1dgq n SER 245 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dgq n GLY 246 N -1.72 0.57 3.63 0.23 0.00 -1.26 -5.13 105.19 101.51 1dgq n GLY 246 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 1dgq n GLY 246 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dgq s ASN 247 N -1.00 0.03 0.00 1.61 2.20 -1.26 -5.09 114.94 111.44 1dgq s ASN 247 Ca 0.00 -0.99 0.08 0.00 -0.94 0.00 0.00 52.86 51.01 1dgq s ASN 247 Cb 0.00 0.64 0.13 0.00 -2.00 0.00 0.00 41.25 40.02 1dgq s ASN 247 CO 0.00 -1.24 1.00 2.30 -2.94 0.00 0.00 177.10 176.22 1dgq n ILE 248 N -0.43 0.00 -0.30 0.54 -5.35 -1.26 -4.59 119.36 107.97 1dgq n ILE 248 Ca -0.02 -0.30 0.05 0.00 -0.27 0.00 0.00 62.75 62.21 1dgq n ILE 248 Cb 0.61 0.59 0.20 0.00 -1.74 0.00 0.00 39.64 39.31 1dgq n ILE 248 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1dgq h ASP 249 N 0.30 0.66 -1.30 7.28 3.58 -1.98 0.98 116.42 125.94 1dgq h ASP 249 Ca -0.10 0.06 0.40 0.00 0.42 0.00 0.00 57.03 57.81 1dgq h ASP 249 Cb 1.51 -0.06 -0.10 0.00 1.72 0.00 0.00 39.33 42.39 1dgq h ASP 249 CO 0.01 0.34 0.87 0.00 -2.88 0.00 0.00 179.24 177.58 1dgq h ALA 250 N 1.50 2.78 -0.60 -0.78 0.00 -1.96 -0.35 119.26 119.86 1dgq h ALA 250 Ca 0.44 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1dgq h ALA 250 Cb 0.49 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1dgq h ALA 250 CO -0.29 -1.32 0.00 0.00 0.00 0.00 0.00 179.25 177.64 1dgq n ALA 251 N -2.59 2.31 -0.30 0.00 0.00 0.33 -4.69 120.51 115.58 1dgq n ALA 251 Ca 0.34 -1.24 0.20 0.00 0.00 0.00 0.00 53.44 52.74 1dgq n ALA 251 Cb 1.34 -0.76 0.49 0.00 0.00 0.00 0.00 19.45 20.51 1dgq n ALA 251 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1dgq h LYS 252 N 3.54 0.43 -0.02 0.00 2.10 -0.95 0.53 116.57 122.19 1dgq h LYS 252 Ca 0.00 -0.03 -0.18 0.00 -2.00 0.00 0.00 60.65 58.45 1dgq h LYS 252 Cb 0.90 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.12 1dgq h LYS 252 CO 0.00 0.29 -0.78 0.22 -2.00 0.00 0.00 179.45 177.18 1dgq h ASP 253 N 0.45 0.26 -4.04 7.07 3.58 -1.83 -3.46 116.42 118.44 1dgq h ASP 253 Ca 0.55 -0.19 -0.48 0.00 0.42 0.00 0.00 57.03 57.33 1dgq h ASP 253 Cb 1.31 -0.08 0.04 0.00 1.72 0.00 0.00 39.33 42.32 1dgq h ASP 253 CO -0.26 0.94 0.41 -0.63 -2.88 0.00 0.00 179.24 176.81 1dgq s ILE 254 N -3.40 3.59 -0.77 2.25 1.01 0.18 -4.95 121.20 119.11 1dgq s ILE 254 Ca -0.03 1.06 -0.24 0.00 0.00 0.00 0.00 60.65 61.44 1dgq s ILE 254 Cb 0.11 -3.47 0.06 0.00 0.01 0.00 0.00 42.46 39.17 1dgq s ILE 254 CO 0.82 -0.15 1.17 -0.63 0.00 0.00 0.00 174.94 176.15 1dgq s ILE 255 N -1.83 4.06 -0.91 2.92 -1.09 0.16 -4.86 121.20 119.65 1dgq s ILE 255 Ca 0.66 -0.21 -0.24 0.00 -2.23 0.00 0.00 60.65 58.62 1dgq s ILE 255 Cb -0.20 -4.84 0.02 0.00 -1.58 0.00 0.00 42.46 35.86 1dgq s ILE 255 CO 0.24 -1.69 1.57 -0.13 -1.23 0.00 0.00 174.94 173.70 1dgq s ARG 256 N 4.75 3.20 -0.00 2.79 3.00 -1.26 -0.47 118.95 130.95 1dgq s ARG 256 Ca 0.32 -0.63 -0.24 0.00 0.00 0.00 0.00 55.73 55.17 1dgq s ARG 256 Cb -0.10 -5.01 -0.05 0.00 0.00 0.00 0.00 34.95 29.80 1dgq s ARG 256 CO 0.08 -2.52 0.72 -0.47 0.00 0.00 0.00 175.30 173.11 1dgq s TYR 257 N 6.64 3.67 -0.06 -0.53 6.14 0.21 -1.21 117.35 132.21 1dgq s TYR 257 Ca 0.51 1.35 -0.01 0.00 0.64 0.00 0.00 57.07 59.57 1dgq s TYR 257 Cb -0.04 -2.78 0.03 0.00 0.42 0.00 0.00 41.96 39.59 1dgq s TYR 257 CO -0.01 0.22 0.01 -1.50 0.64 0.00 0.00 175.55 174.91 1dgq s ILE 258 N 0.21 0.31 -0.43 3.14 2.07 0.28 -0.31 121.20 126.47 1dgq s ILE 258 Ca 0.37 0.14 -0.16 0.00 -1.41 0.00 0.00 60.65 59.59 1dgq s ILE 258 Cb -0.19 -0.47 0.03 0.00 0.13 0.00 0.00 42.46 41.96 1dgq s ILE 258 CO 0.20 0.24 0.38 -0.63 -1.91 0.00 0.00 174.94 173.22 1dgq s ILE 259 N 1.85 5.17 -0.53 2.00 1.01 0.23 -0.67 121.20 130.26 1dgq s ILE 259 Ca 0.03 -0.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.87 1dgq s ILE 259 Cb -0.12 -4.02 0.05 0.00 0.01 0.00 0.00 42.46 38.38 1dgq s ILE 259 CO -0.04 -0.42 0.74 -0.83 0.00 0.00 0.00 174.94 174.39 1dgq s GLY 260 N 1.91 1.65 0.28 6.18 0.00 0.33 -1.14 107.32 116.51 1dgq s GLY 260 Ca 0.08 -1.59 -0.29 0.00 0.00 0.00 0.00 44.72 42.91 1dgq s GLY 260 CO 0.11 1.67 1.36 -0.42 0.00 0.00 0.00 173.10 175.83 1dgq s ILE 261 N 3.09 2.77 -0.25 0.90 -1.09 0.38 0.00 121.20 126.99 1dgq s ILE 261 Ca 0.20 0.69 -0.06 0.00 -2.23 0.00 0.00 60.65 59.25 1dgq s ILE 261 Cb -0.17 -3.44 -0.21 0.00 -1.58 0.00 0.00 42.46 37.06 1dgq s ILE 261 CO 0.14 0.13 3.13 0.61 -1.23 0.00 0.00 174.94 177.72 1dgq n GLY 262 N 1.63 2.95 0.09 6.18 0.00 0.73 -3.18 105.19 113.59 1dgq n GLY 262 Ca 0.04 -1.10 -0.03 0.00 0.00 0.00 0.00 46.02 44.93 1dgq n GLY 262 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dgq n LYS 263 N 2.78 0.17 0.07 1.61 4.76 -1.26 -4.52 118.16 121.77 1dgq n LYS 263 Ca 0.43 0.07 -0.22 0.00 -2.87 0.00 0.00 58.31 55.71 1dgq n LYS 263 Cb 0.69 -0.78 -0.15 0.00 -1.84 0.00 0.00 35.03 32.96 1dgq n LYS 263 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1dgq h HIS 264 N -0.32 0.67 0.00 2.13 3.86 -1.61 -3.37 115.15 116.52 1dgq h HIS 264 Ca 0.00 -0.49 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1dgq h HIS 264 Cb 0.32 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1dgq h HIS 264 CO -0.14 1.48 0.00 1.19 0.86 0.00 0.00 177.93 181.33 1dgq n PHE 265 N -3.90 0.00 0.14 2.45 3.72 -1.19 -1.48 117.46 117.20 1dgq n PHE 265 Ca -0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.21 1dgq n PHE 265 Cb 0.95 -0.03 0.24 0.00 -0.94 0.00 0.00 39.48 39.70 1dgq n PHE 265 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1dgq h GLN 266 N 0.32 0.08 -6.37 -1.08 4.20 -1.79 -3.43 115.11 107.04 1dgq h GLN 266 Ca 0.00 -0.04 -0.57 0.00 0.06 0.00 0.00 58.65 58.10 1dgq h GLN 266 Cb 0.13 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.85 1dgq h GLN 266 CO 0.00 0.55 0.89 0.95 -0.67 0.00 0.00 178.83 180.55 1dgq s THR 267 N -3.93 4.38 0.30 -0.54 -4.23 -0.55 -4.92 115.64 106.14 1dgq s THR 267 Ca -0.03 1.56 0.05 0.00 -1.18 0.00 0.00 61.69 62.09 1dgq s THR 267 Cb 0.13 -4.37 0.29 0.00 1.34 0.00 0.00 72.50 69.89 1dgq s THR 267 CO 0.76 -0.54 1.74 0.50 -0.54 0.00 0.00 174.62 176.54 1dgq h LYS 268 N 8.53 0.57 -0.97 3.99 3.64 -1.90 0.17 116.57 130.60 1dgq h LYS 268 Ca -0.22 -0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1dgq h LYS 268 Cb 1.07 -0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.67 1dgq h LYS 268 CO 1.04 0.38 0.60 1.05 -2.27 0.00 0.00 179.45 180.25 1dgq h GLU 269 N 0.59 0.89 -0.10 1.90 4.11 -1.97 0.71 114.58 120.71 1dgq h GLU 269 Ca 0.57 -0.05 -0.11 0.00 0.07 0.00 0.00 59.36 59.84 1dgq h GLU 269 Cb 0.99 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1dgq h GLU 269 CO -0.44 0.59 -0.36 0.77 0.07 0.00 0.00 179.01 179.63 1dgq h SER 270 N 0.92 0.49 -0.57 3.06 0.02 -1.06 -3.19 113.55 113.23 1dgq h SER 270 Ca 0.49 -0.62 0.12 0.00 -0.84 0.00 0.00 61.79 60.94 1dgq h SER 270 Cb 0.53 -0.14 -0.10 0.00 0.14 0.00 0.00 62.40 62.83 1dgq h SER 270 CO -0.28 1.03 -0.03 1.56 -1.14 0.00 0.00 176.83 177.96 1dgq h GLN 271 N -0.01 0.08 -0.99 3.45 4.20 -0.34 0.12 115.11 121.63 1dgq h GLN 271 Ca -0.02 -0.01 0.22 0.00 0.06 0.00 0.00 58.65 58.91 1dgq h GLN 271 Cb 0.99 -0.02 -0.12 0.00 0.30 0.00 0.00 27.48 28.64 1dgq h GLN 271 CO 0.08 0.06 0.57 0.93 -0.67 0.00 0.00 178.83 179.79 1dgq h GLU 272 N 0.09 0.60 -0.43 1.46 5.08 -0.90 0.47 114.58 120.95 1dgq h GLU 272 Ca 0.29 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1dgq h GLU 272 Cb 0.46 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1dgq h GLU 272 CO -0.51 0.39 0.16 1.79 -1.00 0.00 0.00 179.01 179.85 1dgq h THR 273 N 0.61 1.21 -0.67 1.13 1.35 -0.96 -2.00 112.91 113.57 1dgq h THR 273 Ca 0.61 -0.65 0.06 0.00 -0.55 0.00 0.00 66.41 65.88 1dgq h THR 273 Cb 1.10 0.83 -0.06 0.00 -1.73 0.00 0.00 68.15 68.29 1dgq h THR 273 CO -0.45 0.24 0.37 -0.07 -0.25 0.00 0.00 175.52 175.35 1dgq h LEU 274 N 0.55 0.54 -0.94 3.87 3.38 -0.73 -0.76 115.31 121.21 1dgq h LEU 274 Ca 0.14 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.27 1dgq h LEU 274 Cb 0.21 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 1dgq h LEU 274 CO -0.01 0.35 0.57 0.45 0.09 0.00 0.00 178.44 179.88 1dgq h HIS 275 N 0.68 1.02 0.02 1.13 3.86 -0.58 0.15 115.15 121.43 1dgq h HIS 275 Ca 0.30 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1dgq h HIS 275 Cb 0.20 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.36 1dgq h HIS 275 CO -0.08 0.37 -0.01 0.87 0.86 0.00 0.00 177.93 179.94 1dgq h LYS 276 N 0.87 -0.02 -0.48 2.45 1.57 -0.47 -3.28 116.57 117.22 1dgq h LYS 276 Ca 0.48 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.24 1dgq h LYS 276 Cb 0.53 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1dgq h LYS 276 CO -0.29 0.15 0.21 0.74 -0.57 0.00 0.00 179.45 179.69 1dgq h PHE 277 N -0.19 0.70 -4.25 -1.35 0.04 -0.26 -3.45 116.94 108.18 1dgq h PHE 277 Ca -0.00 -0.04 -0.52 0.00 2.80 0.00 0.00 57.97 60.20 1dgq h PHE 277 Cb 0.18 -0.21 0.18 0.00 2.20 0.00 0.00 35.95 38.30 1dgq h PHE 277 CO -0.02 0.57 0.27 0.00 -0.60 0.00 0.00 178.31 178.54 1dgq s ALA 278 N -5.64 1.67 0.76 2.45 0.00 0.44 -4.77 121.76 116.66 1dgq s ALA 278 Ca -0.13 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.37 1dgq s ALA 278 Cb 0.11 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.83 1dgq s ALA 278 CO 0.76 -2.51 1.09 -1.12 0.00 0.00 0.00 175.76 173.98 1dgq s SER 279 N -2.56 4.83 0.02 0.00 0.01 -0.35 -4.90 113.70 110.76 1dgq s SER 279 Ca 0.68 1.39 0.01 0.00 1.31 0.00 0.00 55.95 59.34 1dgq s SER 279 Cb -0.24 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 1dgq s SER 279 CO 0.55 -1.76 0.08 -0.54 0.41 0.00 0.00 173.24 171.98 1dgq s LYS 280 N -5.14 3.00 0.06 12.44 -0.14 -1.26 -3.56 119.74 125.15 1dgq s LYS 280 Ca 0.60 -0.56 -0.31 0.00 -1.36 0.00 0.00 55.97 54.35 1dgq s LYS 280 Cb -0.14 -2.81 -0.06 0.00 -1.68 0.00 0.00 37.83 33.14 1dgq s LYS 280 CO 0.54 0.62 1.18 -2.14 -0.76 0.00 0.00 175.35 174.79 1dgq s PRO 281 N -1.95 4.45 0.54 -1.68 0.02 -1.26 -4.99 135.00 130.12 1dgq s PRO 281 Ca 0.25 1.74 0.23 0.00 0.02 0.00 0.00 61.00 63.25 1dgq s PRO 281 Cb -0.12 -3.35 1.40 0.00 0.02 0.00 0.00 34.50 32.45 1dgq s PRO 281 CO 0.17 -0.23 2.06 0.00 -0.33 0.00 0.00 177.00 178.66 1dgq h ALA 282 N 6.72 2.25 -0.68 -1.55 0.00 -1.91 0.57 119.26 124.67 1dgq h ALA 282 Ca -0.42 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.58 1dgq h ALA 282 Cb 1.21 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1dgq h ALA 282 CO 0.80 -0.41 0.45 0.77 0.00 0.00 0.00 179.25 180.87 1dgq h SER 283 N 0.00 0.47 0.02 0.00 0.02 -1.89 0.18 113.55 112.35 1dgq h SER 283 Ca 0.15 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 1dgq h SER 283 Cb 0.63 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1dgq h SER 283 CO -0.00 0.28 -0.80 -0.33 -1.14 0.00 0.00 176.83 174.84 1dgq h GLU 284 N 0.53 0.04 0.02 3.45 4.39 -1.27 -3.41 114.58 118.33 1dgq h GLU 284 Ca 0.31 -0.07 -0.23 0.00 0.34 0.00 0.00 59.36 59.72 1dgq h GLU 284 Cb 0.52 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 1dgq h GLU 284 CO -0.10 1.03 -1.10 0.74 -1.16 0.00 0.00 179.01 178.42 1dgq h PHE 285 N -0.89 0.06 -3.33 4.33 0.04 -1.18 -3.44 116.94 112.54 1dgq h PHE 285 Ca -0.21 -0.05 -0.57 0.00 2.80 0.00 0.00 57.97 59.95 1dgq h PHE 285 Cb 1.26 -0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.35 1dgq h PHE 285 CO 0.17 1.04 0.00 0.08 -0.60 0.00 0.00 178.31 179.00 1dgq s VAL 286 N -2.69 4.99 -0.31 -0.55 1.01 0.61 -0.56 120.40 122.90 1dgq s VAL 286 Ca -0.00 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.26 1dgq s VAL 286 Cb 0.09 -3.95 0.09 0.00 0.00 0.00 0.00 36.38 32.61 1dgq s VAL 286 CO 0.83 0.35 0.04 -0.54 0.00 0.00 0.00 175.10 175.78 1dgq s LYS 287 N 0.23 1.26 -1.04 2.72 -0.14 0.15 -4.77 119.74 118.15 1dgq s LYS 287 Ca 0.32 -1.40 -0.23 0.00 -1.36 0.00 0.00 55.97 53.30 1dgq s LYS 287 Cb -0.18 -2.65 0.02 0.00 -1.68 0.00 0.00 37.83 33.34 1dgq s LYS 287 CO 0.17 -0.88 1.65 0.42 -0.76 0.00 0.00 175.35 175.95 1dgq s ILE 288 N 1.26 3.80 -0.73 2.17 -1.09 -1.26 -0.52 121.20 124.83 1dgq s ILE 288 Ca 0.07 -0.83 -0.22 0.00 -2.23 0.00 0.00 60.65 57.44 1dgq s ILE 288 Cb -0.18 -4.77 0.09 0.00 -1.58 0.00 0.00 42.46 36.01 1dgq s ILE 288 CO -0.14 -1.63 1.01 -0.22 -1.23 0.00 0.00 174.94 172.73 1dgq s LEU 289 N 6.60 4.56 0.20 2.97 2.96 0.10 -4.81 118.68 131.26 1dgq s LEU 289 Ca 0.55 -1.27 -0.07 0.00 -0.22 0.00 0.00 54.13 53.12 1dgq s LEU 289 Cb -0.01 -2.41 0.31 0.00 0.50 0.00 0.00 46.19 44.57 1dgq s LEU 289 CO -0.04 -1.34 1.13 -0.90 -1.32 0.00 0.00 176.35 173.88 1dgq n ASP 290 N 7.42 -0.29 -4.00 3.68 5.75 -1.26 -0.19 116.55 127.65 1dgq n ASP 290 Ca 0.04 1.24 -0.09 0.00 -0.01 0.00 0.00 54.79 55.97 1dgq n ASP 290 Cb 0.46 -0.36 -0.11 0.00 -1.03 0.00 0.00 41.12 40.08 1dgq n ASP 290 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1dgq s THR 291 N -5.87 0.13 0.37 2.12 -4.23 -1.26 -2.99 115.64 103.91 1dgq s THR 291 Ca -0.11 -1.11 0.15 0.00 -1.18 0.00 0.00 61.69 59.44 1dgq s THR 291 Cb 0.19 -0.59 0.36 0.00 1.34 0.00 0.00 72.50 73.80 1dgq s THR 291 CO 0.56 -0.61 1.78 -0.26 -0.54 0.00 0.00 174.62 175.54 1dgq h PHE 292 N 4.23 0.77 -0.88 3.99 0.04 -1.97 0.42 116.94 123.53 1dgq h PHE 292 Ca -0.32 0.03 0.24 0.00 2.80 0.00 0.00 57.97 60.71 1dgq h PHE 292 Cb 1.19 -0.23 -0.14 0.00 2.20 0.00 0.00 35.95 38.97 1dgq h PHE 292 CO 0.62 0.10 0.24 0.93 -0.60 0.00 0.00 178.31 179.60 1dgq h GLU 293 N 0.49 0.20 0.00 1.51 5.08 -1.96 0.52 114.58 120.43 1dgq h GLU 293 Ca 0.59 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1dgq h GLU 293 Cb 1.31 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1dgq h GLU 293 CO -0.32 0.13 0.00 1.63 -1.00 0.00 0.00 179.01 179.45 1dgq n LYS 294 N -5.23 0.95 -0.16 2.33 4.76 0.14 -3.31 118.16 117.63 1dgq n LYS 294 Ca 0.22 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.84 1dgq n LYS 294 Cb 0.70 -1.35 0.55 0.00 -1.84 0.00 0.00 35.03 33.09 1dgq n LYS 294 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1dgq h LEU 295 N 0.00 0.31 -0.34 -0.35 3.38 -0.97 0.14 115.31 117.48 1dgq h LEU 295 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1dgq h LEU 295 Cb 0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1dgq h LEU 295 CO 0.00 0.15 0.19 0.11 0.09 0.00 0.00 178.44 178.98 1dgq h LYS 296 N 0.32 0.47 -0.06 1.13 1.79 -1.77 0.19 116.57 118.65 1dgq h LYS 296 Ca 0.38 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.79 1dgq h LYS 296 Cb 1.02 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1dgq h LYS 296 CO -0.11 0.39 0.02 0.22 -1.08 0.00 0.00 179.45 178.89 1dgq h ASP 297 N 0.43 0.09 -0.24 0.86 3.58 -1.20 -1.22 116.42 118.71 1dgq h ASP 297 Ca 0.12 -0.23 0.04 0.00 0.42 0.00 0.00 57.03 57.38 1dgq h ASP 297 Cb 0.06 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.04 1dgq h ASP 297 CO -0.02 0.30 0.00 0.25 -2.88 0.00 0.00 179.24 176.89 1dgq h LEU 298 N -0.11 -0.09 -0.55 2.28 5.85 -0.77 0.54 115.31 122.46 1dgq h LEU 298 Ca 0.02 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.90 1dgq h LEU 298 Cb 0.24 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.25 1dgq h LEU 298 CO 0.00 -0.01 -0.22 0.15 -0.34 0.00 0.00 178.44 178.02 1dgq h PHE 299 N 0.08 -0.54 -0.33 1.25 3.57 -0.48 0.26 116.94 120.75 1dgq h PHE 299 Ca 0.11 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1dgq h PHE 299 Cb 0.15 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1dgq h PHE 299 CO -0.19 -0.31 0.08 1.15 -2.23 0.00 0.00 178.31 176.81 1dgq h THR 300 N -0.09 0.86 -0.43 4.41 2.02 -0.22 0.29 112.91 119.76 1dgq h THR 300 Ca 0.25 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.41 1dgq h THR 300 Cb 0.48 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 1dgq h THR 300 CO -0.61 0.04 0.18 -0.08 0.37 0.00 0.00 175.52 175.42 1dgq h GLU 301 N 0.20 0.35 -0.17 6.66 4.81 0.27 0.75 114.58 127.46 1dgq h GLU 301 Ca 0.15 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1dgq h GLU 301 Cb 0.16 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1dgq h GLU 301 CO -0.19 0.23 0.10 -0.07 -0.73 0.00 0.00 179.01 178.35 1dgq h LEU 302 N 0.36 0.20 -0.43 1.64 3.38 0.08 -0.80 115.31 119.74 1dgq h LEU 302 Ca 0.20 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1dgq h LEU 302 Cb 0.16 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1dgq h LEU 302 CO -0.18 0.20 0.17 1.56 0.09 0.00 0.00 178.44 180.28 1dgq h GLN 303 N 0.19 0.34 -0.62 1.13 1.08 -0.56 0.20 115.11 116.86 1dgq h GLN 303 Ca 0.06 -0.02 0.12 0.00 -1.45 0.00 0.00 58.65 57.36 1dgq h GLN 303 Cb 0.04 -0.08 -0.12 0.00 -0.05 0.00 0.00 27.48 27.27 1dgq h GLN 303 CO -0.01 0.22 -0.20 -0.22 -0.95 0.00 0.00 178.83 177.67 1dgq h LYS 304 N 0.35 -0.05 0.17 1.46 3.64 -0.48 -0.14 116.57 121.53 1dgq h LYS 304 Ca 0.20 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1dgq h LYS 304 Cb 0.17 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1dgq h LYS 304 CO -0.19 -0.03 -0.08 0.87 -2.27 0.00 0.00 179.45 177.75 1dgq h LYS 305 N -0.05 -0.23 -0.74 1.90 1.57 -0.29 -3.26 116.57 115.47 1dgq h LYS 305 Ca 0.29 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.12 1dgq h LYS 305 Cb 0.49 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1dgq h LYS 305 CO -0.66 -0.04 0.49 0.82 -0.57 0.00 0.00 179.45 179.49 1dgq h ILE 306 N -0.38 1.11 -0.87 1.86 2.04 0.39 0.19 117.51 121.85 1dgq h ILE 306 Ca -0.02 -0.31 0.21 0.00 1.00 0.00 0.00 64.86 65.74 1dgq h ILE 306 Cb 0.29 0.13 -0.12 0.00 -0.74 0.00 0.00 36.82 36.38 1dgq h ILE 306 CO 0.04 0.16 0.34 1.88 0.00 0.00 0.00 178.15 180.57 1dgq h TYR 307 N 0.90 0.56 0.01 1.37 0.05 -1.11 -0.04 116.97 118.71 1dgq h TYR 307 Ca 0.30 0.04 -0.19 0.00 0.05 0.00 0.00 58.73 58.93 1dgq h TYR 307 Cb 0.06 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 1dgq h TYR 307 CO -0.00 -0.06 -0.88 0.28 -1.05 0.00 0.00 178.16 176.44 1dgq h VAL 308 N 0.36 1.58 0.56 -2.88 2.07 -0.74 0.42 116.25 117.61 1dgq h VAL 308 Ca 0.53 -2.87 -0.03 0.00 0.82 0.00 0.00 66.70 65.16 1dgq h VAL 308 Cb 0.99 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1dgq h VAL 308 CO -0.53 0.82 -0.28 0.40 0.02 0.00 0.00 177.57 178.00 1dgq h ILE 309 N 0.03 0.43 -0.38 4.57 2.04 -0.59 -2.84 117.51 120.78 1dgq h ILE 309 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1dgq h ILE 309 Cb 1.54 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1dgq h ILE 309 CO 0.12 0.00 0.25 -0.33 0.00 0.00 0.00 178.15 178.19 1dgq h GLU 310 N -0.76 0.50 0.00 2.37 5.08 -0.93 0.13 114.58 120.97 1dgq h GLU 310 Ca -0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1dgq h GLU 310 Cb 0.59 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1dgq h GLU 310 CO 0.12 0.33 0.00 0.41 -1.00 0.00 0.00 179.01 178.87