#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 1.34 -0.61 3.04 0.00 -1.26 -4.49 121.76 119.77 1dgq s ALA 125 Ca 0.00 -1.26 -0.15 0.00 0.00 0.00 0.00 51.96 50.55 1dgq s ALA 125 Cb 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 23.12 22.95 1dgq s ALA 125 CO 0.00 0.04 1.66 0.43 0.00 0.00 0.00 175.76 177.88 1dgq n SER 126 N 0.52 -0.16 -3.50 0.00 7.64 -1.06 -4.58 113.62 112.49 1dgq n SER 126 Ca -0.16 -1.94 -0.40 0.00 1.01 0.00 0.00 58.87 57.39 1dgq n SER 126 Cb 0.57 -1.22 -0.02 0.00 -1.01 0.00 0.00 64.21 62.54 1dgq n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1dgq n LYS 127 N 6.54 3.46 0.23 1.43 3.00 -0.32 -4.64 118.16 127.86 1dgq n LYS 127 Ca 0.25 -2.50 0.16 0.00 -0.00 0.00 0.00 58.31 56.22 1dgq n LYS 127 Cb 0.47 -2.97 0.64 0.00 0.00 0.00 0.00 35.03 33.17 1dgq n LYS 127 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1dgq h GLY 128 N 8.02 0.00 -6.82 3.14 0.00 -1.87 -3.40 103.07 102.14 1dgq h GLY 128 Ca 0.73 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.50 1dgq h GLY 128 CO 1.80 0.00 1.01 -1.31 0.00 0.00 0.00 176.54 178.03 1dgq s ASN 129 N -5.23 6.44 -0.09 0.19 0.01 -1.26 -3.69 114.94 111.31 1dgq s ASN 129 Ca 0.02 0.52 -0.03 0.00 -0.71 0.00 0.00 52.86 52.66 1dgq s ASN 129 Cb 0.09 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 39.24 1dgq s ASN 129 CO 0.49 -1.41 0.07 -0.69 -1.51 0.00 0.00 177.10 174.05 1dgq s VAL 130 N 5.07 -0.07 -0.58 1.60 1.01 0.21 -0.72 120.40 126.92 1dgq s VAL 130 Ca 0.53 0.21 -0.21 0.00 0.00 0.00 0.00 61.98 62.50 1dgq s VAL 130 Cb -0.10 -0.32 0.07 0.00 0.00 0.00 0.00 36.38 36.03 1dgq s VAL 130 CO 0.31 0.02 0.79 -1.81 0.00 0.00 0.00 175.10 174.41 1dgq s ASP 131 N 2.15 6.22 -0.41 3.32 1.11 0.81 -0.14 116.67 129.73 1dgq s ASP 131 Ca 0.04 -0.96 -0.11 0.00 0.18 0.00 0.00 52.55 51.69 1dgq s ASP 131 Cb -0.13 -2.35 0.06 0.00 1.07 0.00 0.00 42.92 41.56 1dgq s ASP 131 CO -0.05 -1.16 0.26 -0.22 1.18 0.00 0.00 175.17 175.18 1dgq s LEU 132 N 3.27 5.05 -0.33 1.23 0.20 0.44 -0.23 118.68 128.30 1dgq s LEU 132 Ca 0.19 -1.26 -0.19 0.00 0.69 0.00 0.00 54.13 53.56 1dgq s LEU 132 Cb -0.19 -2.03 -0.01 0.00 -0.43 0.00 0.00 46.19 43.53 1dgq s LEU 132 CO 0.11 -0.49 0.55 -0.69 -0.29 0.00 0.00 176.35 175.55 1dgq s VAL 133 N 1.51 4.99 -0.75 1.68 1.01 0.11 -1.18 120.40 127.77 1dgq s VAL 133 Ca 0.03 0.57 -0.24 0.00 0.00 0.00 0.00 61.98 62.34 1dgq s VAL 133 Cb -0.22 -3.96 0.06 0.00 0.00 0.00 0.00 36.38 32.26 1dgq s VAL 133 CO 0.05 -0.17 1.15 -0.36 0.00 0.00 0.00 175.10 175.77 1dgq s PHE 134 N 2.47 2.54 -1.02 5.22 0.08 0.25 -0.43 117.98 127.10 1dgq s PHE 134 Ca 0.21 -0.45 -0.18 0.00 0.12 0.00 0.00 56.93 56.63 1dgq s PHE 134 Cb -0.15 -4.46 0.13 0.00 -0.57 0.00 0.00 43.02 37.97 1dgq s PHE 134 CO 0.13 -1.83 1.25 -1.17 -0.10 0.00 0.00 175.22 173.50 1dgq s LEU 135 N 4.69 4.90 -0.19 -0.37 2.96 0.37 -0.61 118.68 130.43 1dgq s LEU 135 Ca 0.30 -2.27 -0.08 0.00 -0.22 0.00 0.00 54.13 51.86 1dgq s LEU 135 Cb -0.11 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 1dgq s LEU 135 CO 0.08 -1.01 0.08 0.72 -1.32 0.00 0.00 176.35 174.90 1dgq s PHE 136 N 2.61 3.26 0.48 5.38 -0.71 0.15 -0.65 117.98 128.50 1dgq s PHE 136 Ca 0.37 0.09 -0.21 0.00 -1.04 0.00 0.00 56.93 56.13 1dgq s PHE 136 Cb -0.04 -2.11 -0.07 0.00 -1.21 0.00 0.00 43.02 39.59 1dgq s PHE 136 CO -0.06 0.14 1.11 0.34 -1.34 0.00 0.00 175.22 175.40 1dgq s ASP 137 N 0.49 6.16 -0.32 1.98 2.15 0.65 -0.66 116.67 127.12 1dgq s ASP 137 Ca 0.04 2.15 0.18 0.00 0.43 0.00 0.00 52.55 55.34 1dgq s ASP 137 Cb -0.12 -2.58 0.46 0.00 -0.30 0.00 0.00 42.92 40.37 1dgq s ASP 137 CO 0.00 -0.92 0.97 0.61 -0.17 0.00 0.00 175.17 175.67 1dgq n GLY 138 N 0.20 1.75 3.81 2.66 0.00 0.12 -4.79 105.19 108.94 1dgq n GLY 138 Ca 0.09 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.18 4.94 0.59 1.61 1.04 -1.26 -0.36 113.70 117.07 1dgq s SER 139 Ca 0.28 1.48 0.29 0.00 0.48 0.00 0.00 55.95 58.48 1dgq s SER 139 Cb 0.45 -2.29 1.48 0.00 0.10 0.00 0.00 66.02 65.77 1dgq s SER 139 CO 0.02 -1.71 1.91 0.00 0.98 0.00 0.00 173.24 174.44 1dgq h MET 140 N -0.91 0.00 -0.91 4.02 -0.00 -1.21 0.34 114.93 116.27 1dgq h MET 140 Ca -0.45 0.00 0.24 0.00 -0.00 0.00 0.00 59.70 59.49 1dgq h MET 140 Cb 1.24 0.00 -0.13 0.00 -0.00 0.00 0.00 31.60 32.70 1dgq h MET 140 CO 0.58 0.00 0.38 0.77 -0.00 0.00 0.00 176.91 178.64 1dgq h SER 141 N 0.00 0.27 -3.00 -0.10 0.02 -1.90 -3.40 113.55 105.43 1dgq h SER 141 Ca 0.21 0.17 -0.57 0.00 -0.84 0.00 0.00 61.79 60.76 1dgq h SER 141 Cb 1.15 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.81 1dgq h SER 141 CO -0.00 -0.07 0.86 -0.76 -1.14 0.00 0.00 176.83 175.71 1dgq s LEU 142 N -10.53 4.13 0.39 5.07 1.43 0.11 -5.04 118.68 114.24 1dgq s LEU 142 Ca -0.11 1.52 -0.07 0.00 -1.03 0.00 0.00 54.13 54.44 1dgq s LEU 142 Cb 0.26 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.89 1dgq s LEU 142 CO 0.78 -0.73 0.70 -1.10 0.23 0.00 0.00 176.35 176.23 1dgq s GLN 143 N 3.38 3.65 0.17 1.70 -1.52 -1.26 -4.84 119.66 120.94 1dgq s GLN 143 Ca 0.50 0.21 -0.28 0.00 -1.95 0.00 0.00 55.36 53.84 1dgq s GLN 143 Cb -0.18 -2.47 -0.01 0.00 -0.22 0.00 0.00 33.01 30.13 1dgq s GLN 143 CO 0.11 -0.00 1.55 -1.35 -0.25 0.00 0.00 175.29 175.35 1dgq h PRO 144 N 1.05 -0.15 -1.00 2.91 0.11 -1.98 0.20 132.00 133.15 1dgq h PRO 144 Ca -0.47 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.75 1dgq h PRO 144 Cb 1.19 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 1dgq h PRO 144 CO 0.64 -0.10 0.64 -0.44 -0.21 0.00 0.00 178.00 178.52 1dgq h ASP 145 N -0.15 0.96 -0.06 -2.05 5.19 -1.99 0.15 116.42 118.48 1dgq h ASP 145 Ca 0.17 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 1dgq h ASP 145 Cb 0.52 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.87 1dgq h ASP 145 CO -0.80 0.54 -0.02 -0.33 -3.12 0.00 0.00 179.24 175.51 1dgq h GLU 146 N 1.04 0.11 -0.51 3.56 5.08 -1.48 -2.69 114.58 119.69 1dgq h GLU 146 Ca 0.48 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.82 1dgq h GLU 146 Cb 0.40 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1dgq h GLU 146 CO -0.24 0.46 0.31 0.35 -1.00 0.00 0.00 179.01 178.89 1dgq h PHE 147 N -0.25 0.58 -0.77 4.33 3.57 -0.10 0.56 116.94 124.85 1dgq h PHE 147 Ca 0.01 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.70 1dgq h PHE 147 Cb 0.42 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 1dgq h PHE 147 CO 0.06 0.33 0.52 1.96 -2.23 0.00 0.00 178.31 178.95 1dgq h GLN 148 N 0.62 0.32 -0.15 1.11 1.08 -0.72 0.97 115.11 118.35 1dgq h GLN 148 Ca 0.20 -0.02 -0.18 0.00 -1.45 0.00 0.00 58.65 57.20 1dgq h GLN 148 Cb 0.01 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1dgq h GLN 148 CO -0.09 0.21 -0.65 0.87 -0.95 0.00 0.00 178.83 178.23 1dgq h LYS 149 N 0.33 0.56 -0.33 1.46 1.57 -0.57 0.20 116.57 119.79 1dgq h LYS 149 Ca 0.38 -0.40 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1dgq h LYS 149 Cb 1.01 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 1dgq h LYS 149 CO -0.11 1.02 0.09 0.82 -0.57 0.00 0.00 179.45 180.70 1dgq h ILE 150 N 0.41 0.87 -0.07 1.86 1.08 -0.01 0.30 117.51 121.94 1dgq h ILE 150 Ca -0.02 -0.07 0.02 0.00 -0.39 0.00 0.00 64.86 64.40 1dgq h ILE 150 Cb 1.22 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.59 1dgq h ILE 150 CO 0.12 0.04 -0.04 -0.07 -0.69 0.00 0.00 178.15 177.51 1dgq h LEU 151 N 0.21 -0.13 -0.51 1.44 3.38 -0.73 -2.73 115.31 116.24 1dgq h LEU 151 Ca 0.15 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.25 1dgq h LEU 151 Cb 0.15 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1dgq h LEU 151 CO -0.18 -0.06 0.07 -0.78 0.09 0.00 0.00 178.44 177.58 1dgq h ASP 152 N -0.04 -0.07 -0.02 -0.43 3.58 -0.19 0.79 116.42 120.04 1dgq h ASP 152 Ca 0.04 0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.63 1dgq h ASP 152 Cb 0.10 0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.26 1dgq h ASP 152 CO -0.10 -0.01 -0.33 0.15 -2.88 0.00 0.00 179.24 176.07 1dgq h PHE 153 N 0.20 -0.91 0.09 0.28 3.57 -0.76 0.30 116.94 119.71 1dgq h PHE 153 Ca 0.26 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 1dgq h PHE 153 Cb 0.37 0.40 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 1dgq h PHE 153 CO -0.26 -0.42 -0.07 0.52 -2.23 0.00 0.00 178.31 175.86 1dgq h MET 154 N -0.47 -0.16 -0.94 1.11 2.86 -1.09 -2.20 114.93 114.04 1dgq h MET 154 Ca 0.06 0.01 0.20 0.00 -2.06 0.00 0.00 59.70 57.92 1dgq h MET 154 Cb 0.57 0.04 -0.11 0.00 0.06 0.00 0.00 31.60 32.15 1dgq h MET 154 CO -0.28 -0.11 0.51 -0.22 1.06 0.00 0.00 176.91 177.87 1dgq h LYS 155 N -0.17 0.58 0.77 1.72 3.64 -0.53 0.12 116.57 122.69 1dgq h LYS 155 Ca -0.00 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1dgq h LYS 155 Cb 0.15 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1dgq h LYS 155 CO -0.00 0.38 -0.37 -0.44 -2.27 0.00 0.00 179.45 176.75 1dgq h ASP 156 N 0.60 -0.87 -0.33 4.20 3.32 0.20 0.17 116.42 123.70 1dgq h ASP 156 Ca 0.57 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.71 1dgq h ASP 156 Cb 0.96 0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.67 1dgq h ASP 156 CO -0.44 -0.60 -0.11 0.58 -1.72 0.00 0.00 179.24 176.95 1dgq h VAL 157 N -1.07 0.61 -0.31 -1.35 2.07 -0.96 -0.86 116.25 114.38 1dgq h VAL 157 Ca -0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1dgq h VAL 157 Cb 0.80 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1dgq h VAL 157 CO 0.17 0.00 0.14 0.24 0.02 0.00 0.00 177.57 178.14 1dgq h MET 158 N -0.04 0.29 0.29 1.57 2.86 -0.89 -0.03 114.93 118.97 1dgq h MET 158 Ca 0.16 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1dgq h MET 158 Cb 0.29 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1dgq h MET 158 CO -0.36 0.19 -0.33 0.87 1.06 0.00 0.00 176.91 178.34 1dgq h LYS 159 N 0.30 -0.64 -0.74 1.72 1.79 -0.02 0.13 116.57 119.11 1dgq h LYS 159 Ca 0.13 0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.73 1dgq h LYS 159 Cb 0.06 0.14 -0.07 0.00 -1.58 0.00 0.00 32.23 30.79 1dgq h LYS 159 CO -0.10 -0.43 0.40 0.87 -1.08 0.00 0.00 179.45 179.11 1dgq h LYS 160 N -0.66 0.66 -0.86 3.15 6.56 -0.91 -2.76 116.57 121.76 1dgq h LYS 160 Ca -0.01 -0.04 -0.58 0.00 -1.06 0.00 0.00 60.65 58.96 1dgq h LYS 160 Cb 0.62 -0.15 -0.32 0.00 -0.57 0.00 0.00 32.23 31.81 1dgq h LYS 160 CO -0.09 0.44 0.24 1.28 -2.06 0.00 0.00 179.45 179.26 1dgq n LEU 161 N -4.81 6.42 -4.39 2.94 4.77 -0.05 -4.92 117.00 116.96 1dgq n LEU 161 Ca 0.11 -4.33 -0.31 0.00 -0.03 0.00 0.00 56.01 51.45 1dgq n LEU 161 Cb 0.25 -0.74 -0.06 0.00 -2.33 0.00 0.00 43.42 40.54 1dgq n LEU 161 CO 0.26 1.62 1.63 -1.20 -1.33 0.00 0.00 177.39 178.37 1dgq n SER 162 N -0.89 2.98 -3.56 -1.43 7.64 0.01 -4.70 113.62 113.67 1dgq n SER 162 Ca 0.54 -2.70 -0.16 0.00 1.01 0.00 0.00 58.87 57.56 1dgq n SER 162 Cb 0.87 -1.61 -0.06 0.00 -1.01 0.00 0.00 64.21 62.40 1dgq n SER 162 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1dgq s ASN 163 N 6.15 -0.63 -0.60 6.43 2.47 -1.26 -5.10 114.94 122.40 1dgq s ASN 163 Ca 0.66 0.85 -0.26 0.00 0.42 0.00 0.00 52.86 54.53 1dgq s ASN 163 Cb 0.03 0.73 -0.10 0.00 -1.45 0.00 0.00 41.25 40.46 1dgq s ASN 163 CO 0.13 -0.47 2.42 0.41 -3.72 0.00 0.00 177.10 175.88 1dgq n THR 164 N 1.35 -0.06 0.00 -5.21 -1.04 -1.26 -3.08 114.28 104.98 1dgq n THR 164 Ca -0.16 -0.69 0.00 0.00 -2.04 0.00 0.00 64.05 61.16 1dgq n THR 164 Cb 0.57 -2.47 0.00 0.00 -1.82 0.00 0.00 70.33 66.61 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 16.54 0.00 -4.49 8.00 3.41 -1.26 -5.01 113.62 130.81 1dgq n SER 165 Ca 0.41 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.60 1dgq n SER 165 Cb 0.49 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.00 2.80 -0.58 7.33 1.51 -1.18 -0.62 117.35 126.61 1dgq s TYR 166 Ca 0.00 -0.96 -0.28 0.00 -1.01 0.00 0.00 57.07 54.83 1dgq s TYR 166 Cb 0.00 -4.42 0.01 0.00 -0.11 0.00 0.00 41.96 37.44 1dgq s TYR 166 CO 0.00 -1.69 1.42 -0.65 -1.11 0.00 0.00 175.55 173.52 1dgq s GLN 167 N 3.83 3.26 0.37 -0.62 1.11 0.80 -4.79 119.66 123.62 1dgq s GLN 167 Ca 0.34 0.38 -0.10 0.00 0.01 0.00 0.00 55.36 55.99 1dgq s GLN 167 Cb -0.06 -4.14 -0.06 0.00 -1.01 0.00 0.00 33.01 27.73 1dgq s GLN 167 CO -0.03 -2.00 0.72 -0.06 0.01 0.00 0.00 175.29 173.93 1dgq s PHE 168 N 6.16 3.46 0.06 0.91 0.08 -1.26 -0.42 117.98 126.97 1dgq s PHE 168 Ca 0.51 0.98 -0.05 0.00 0.12 0.00 0.00 56.93 58.50 1dgq s PHE 168 Cb -0.10 -2.39 -0.02 0.00 -0.57 0.00 0.00 43.02 39.94 1dgq s PHE 168 CO 0.24 -0.03 0.07 0.00 -0.10 0.00 0.00 175.22 175.40 1dgq s ALA 169 N -2.28 0.12 -0.03 5.36 0.00 -0.33 -3.57 121.76 121.04 1dgq s ALA 169 Ca 0.50 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 1dgq s ALA 169 Cb -0.10 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.38 1dgq s ALA 169 CO 0.30 -0.41 0.07 0.00 0.00 0.00 0.00 175.76 175.72 1dgq s ALA 170 N -3.60 -0.08 -0.23 0.00 0.00 0.09 -0.58 121.76 117.35 1dgq s ALA 170 Ca 0.03 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.37 1dgq s ALA 170 Cb 0.05 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 22.96 1dgq s ALA 170 CO -0.09 -0.10 -0.14 0.08 0.00 0.00 0.00 175.76 175.52 1dgq s VAL 171 N 0.76 2.21 0.30 0.00 1.01 0.22 -0.28 120.40 124.62 1dgq s VAL 171 Ca -0.06 -1.31 -0.29 0.00 0.00 0.00 0.00 61.98 60.32 1dgq s VAL 171 Cb -0.08 -2.14 -0.09 0.00 0.00 0.00 0.00 36.38 34.06 1dgq s VAL 171 CO -0.03 0.21 1.09 -1.58 0.00 0.00 0.00 175.10 174.79 1dgq s GLN 172 N 1.20 4.55 0.08 2.72 0.74 0.32 -0.68 119.66 128.59 1dgq s GLN 172 Ca -0.03 1.76 0.03 0.00 0.05 0.00 0.00 55.36 57.17 1dgq s GLN 172 Cb -0.17 -3.08 -0.03 0.00 1.10 0.00 0.00 33.01 30.83 1dgq s GLN 172 CO -0.08 0.15 -0.08 -0.59 -0.55 0.00 0.00 175.29 174.13 1dgq s PHE 173 N -1.24 0.88 0.00 1.67 -0.71 0.16 -0.05 117.98 118.69 1dgq s PHE 173 Ca 0.47 -0.67 0.00 0.00 -1.04 0.00 0.00 56.93 55.69 1dgq s PHE 173 Cb -0.30 -0.50 0.00 0.00 -1.21 0.00 0.00 43.02 41.00 1dgq s PHE 173 CO 0.39 -0.07 0.00 0.45 -1.34 0.00 0.00 175.22 174.65 1dgq n SER 174 N 0.73 0.00 -0.33 1.98 2.88 -1.26 0.13 113.62 117.74 1dgq n SER 174 Ca -0.17 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.46 1dgq n SER 174 Cb 0.57 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.30 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 0.76 -2.11 2.46 2.02 -1.80 0.19 112.91 114.43 1dgq h THR 175 Ca 0.00 -0.26 -0.57 0.00 0.77 0.00 0.00 66.41 66.35 1dgq h THR 175 Cb 0.00 -0.07 -0.10 0.00 -1.74 0.00 0.00 68.15 66.24 1dgq h THR 175 CO 0.00 0.14 -0.64 -0.55 0.37 0.00 0.00 175.52 174.84 1dgq s SER 176 N -5.48 4.41 0.49 4.18 0.15 -1.26 -4.53 113.70 111.66 1dgq s SER 176 Ca -0.12 -0.76 -0.05 0.00 0.70 0.00 0.00 55.95 55.72 1dgq s SER 176 Cb 0.23 -0.72 -0.04 0.00 -1.71 0.00 0.00 66.02 63.78 1dgq s SER 176 CO 0.80 -0.07 0.79 -0.72 1.20 0.00 0.00 173.24 175.24 1dgq s TYR 177 N -2.39 3.56 -0.28 3.44 -0.85 -1.26 -4.40 117.35 115.16 1dgq s TYR 177 Ca 0.33 0.82 0.01 0.00 -0.52 0.00 0.00 57.07 57.71 1dgq s TYR 177 Cb -0.05 -2.32 0.17 0.00 0.38 0.00 0.00 41.96 40.14 1dgq s TYR 177 CO 0.20 -0.30 0.50 0.21 -1.52 0.00 0.00 175.55 174.63 1dgq s LYS 178 N -4.76 0.48 -0.31 -3.49 2.20 0.93 -4.95 119.74 109.85 1dgq s LYS 178 Ca 0.48 0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 56.35 1dgq s LYS 178 Cb -0.10 0.03 -0.07 0.00 -1.51 0.00 0.00 37.83 36.18 1dgq s LYS 178 CO 0.45 -0.84 2.26 2.41 -0.36 0.00 0.00 175.35 179.27 1dgq n THR 179 N 5.39 0.23 -0.03 3.43 -1.04 -1.26 -0.52 114.28 120.49 1dgq n THR 179 Ca 0.00 -0.46 -0.15 0.00 -2.04 0.00 0.00 64.05 61.41 1dgq n THR 179 Cb 0.51 -2.35 -0.10 0.00 -1.82 0.00 0.00 70.33 66.58 1dgq n THR 179 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1dgq h GLU 180 N 15.09 0.28 -2.40 -2.82 4.39 -0.98 -3.48 114.58 124.66 1dgq h GLU 180 Ca -0.34 -0.24 -0.06 0.00 0.34 0.00 0.00 59.36 59.05 1dgq h GLU 180 Cb 1.27 0.06 -0.17 0.00 -0.10 0.00 0.00 28.75 29.80 1dgq h GLU 180 CO 1.01 0.91 0.13 -0.59 -1.16 0.00 0.00 179.01 179.31 1dgq s PHE 181 N -3.51 -0.56 0.55 4.33 -0.12 -0.88 -4.81 117.98 112.98 1dgq s PHE 181 Ca -0.15 0.80 0.04 0.00 -0.05 0.00 0.00 56.93 57.57 1dgq s PHE 181 Cb 0.03 0.40 0.03 0.00 -0.63 0.00 0.00 43.02 42.85 1dgq s PHE 181 CO 0.76 -0.64 0.32 0.34 -0.05 0.00 0.00 175.22 175.95 1dgq s ASP 182 N -1.63 4.51 0.14 1.98 -1.08 -1.26 -0.73 116.67 118.59 1dgq s ASP 182 Ca -0.08 -1.36 -0.20 0.00 -0.52 0.00 0.00 52.55 50.39 1dgq s ASP 182 Cb -0.01 0.51 -0.00 0.00 -1.46 0.00 0.00 42.92 41.96 1dgq s ASP 182 CO 0.03 -1.08 1.69 -0.26 0.52 0.00 0.00 175.17 176.07 1dgq h PHE 183 N 0.85 -0.16 -0.48 -5.34 0.04 -1.58 -0.40 116.94 109.86 1dgq h PHE 183 Ca -0.38 0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.49 1dgq h PHE 183 Cb 1.31 0.11 -0.07 0.00 2.20 0.00 0.00 35.95 39.50 1dgq h PHE 183 CO 1.14 -0.12 0.08 0.66 -0.60 0.00 0.00 178.31 179.47 1dgq h SER 184 N -0.03 -0.04 -0.01 2.17 4.64 -1.01 0.13 113.55 119.40 1dgq h SER 184 Ca 0.11 0.09 0.03 0.00 -0.47 0.00 0.00 61.79 61.55 1dgq h SER 184 Cb 0.20 0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 1dgq h SER 184 CO -0.25 0.01 -0.17 0.44 -0.87 0.00 0.00 176.83 175.99 1dgq h ASP 185 N 0.21 -0.49 -0.02 4.97 3.32 -1.63 0.16 116.42 122.94 1dgq h ASP 185 Ca 0.24 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.40 1dgq h ASP 185 Cb 0.33 0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.04 1dgq h ASP 185 CO -0.33 -0.23 -0.27 0.22 -1.72 0.00 0.00 179.24 176.91 1dgq h TYR 186 N -0.27 -0.73 -0.95 4.55 3.20 -0.47 0.06 116.97 122.35 1dgq h TYR 186 Ca 0.06 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.08 1dgq h TYR 186 Cb 0.35 0.33 -0.09 0.00 1.54 0.00 0.00 36.73 38.86 1dgq h TYR 186 CO -0.22 -0.36 0.58 0.28 -1.64 0.00 0.00 178.16 176.79 1dgq h VAL 187 N -0.41 0.87 0.38 1.81 2.07 -0.34 0.44 116.25 121.08 1dgq h VAL 187 Ca 0.07 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1dgq h VAL 187 Cb 0.50 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1dgq h VAL 187 CO -0.25 0.16 -0.18 0.50 0.02 0.00 0.00 177.57 177.82 1dgq h LYS 188 N 0.89 -0.49 0.08 1.57 3.64 -0.12 -3.40 116.57 118.73 1dgq h LYS 188 Ca 0.48 0.03 -0.36 0.00 -1.27 0.00 0.00 60.65 59.54 1dgq h LYS 188 Cb 0.52 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1dgq h LYS 188 CO -0.28 -0.18 -2.04 0.91 -2.27 0.00 0.00 179.45 175.59 1dgq n TRP 189 N -5.18 0.91 -4.06 1.91 7.02 -0.04 -5.01 117.44 112.99 1dgq n TRP 189 Ca -0.10 0.22 -0.28 0.00 -1.02 0.00 0.00 57.50 56.32 1dgq n TRP 189 Cb 0.28 -1.11 -0.03 0.00 -2.42 0.00 0.00 31.31 28.02 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 -3.59 -2.93 -3.57 -0.99 5.02 0.15 -4.98 118.16 107.26 1dgq n LYS 190 Ca -0.36 0.35 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 1dgq n LYS 190 Cb 0.98 -4.50 -0.13 0.00 -0.02 0.00 0.00 35.03 31.36 1dgq n LYS 190 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1dgq s ASP 191 N -4.17 0.97 0.18 4.39 -1.08 -1.26 -4.98 116.67 110.72 1dgq s ASP 191 Ca 0.14 0.10 -0.13 0.00 -0.52 0.00 0.00 52.55 52.14 1dgq s ASP 191 Cb -0.08 0.46 0.08 0.00 -1.46 0.00 0.00 42.92 41.92 1dgq s ASP 191 CO 0.91 -0.29 1.85 1.55 0.52 0.00 0.00 175.17 179.71 1dgq h PRO 192 N 8.31 0.75 -0.87 4.34 0.13 -1.92 -0.75 132.00 141.98 1dgq h PRO 192 Ca -0.16 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.96 1dgq h PRO 192 Cb 1.14 -0.17 -0.05 0.00 0.13 0.00 0.00 31.00 32.05 1dgq h PRO 192 CO 0.22 0.49 0.57 -0.44 -0.23 0.00 0.00 178.00 178.61 1dgq h ASP 193 N 0.77 0.95 0.36 1.44 5.19 -1.97 0.24 116.42 123.40 1dgq h ASP 193 Ca 0.21 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.59 1dgq h ASP 193 Cb -0.09 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.21 1dgq h ASP 193 CO -0.05 0.65 -0.17 0.00 -3.12 0.00 0.00 179.24 176.55 1dgq h ALA 194 N 1.36 -0.49 -0.62 3.45 0.00 -1.91 -3.09 119.26 117.96 1dgq h ALA 194 Ca 0.35 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1dgq h ALA 194 Cb -0.01 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1dgq h ALA 194 CO -0.11 -0.69 0.41 -0.07 0.00 0.00 0.00 179.25 178.79 1dgq h LEU 195 N -0.65 0.62 -0.19 0.00 3.38 -0.25 -1.20 115.31 117.02 1dgq h LEU 195 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1dgq h LEU 195 Cb 0.46 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1dgq h LEU 195 CO 0.08 0.42 -0.01 0.18 0.09 0.00 0.00 178.44 179.21 1dgq n LEU 196 N -4.47 0.30 -0.01 1.67 4.77 0.77 -4.06 117.00 115.97 1dgq n LEU 196 Ca 0.08 -0.07 0.20 0.00 -0.03 0.00 0.00 56.01 56.18 1dgq n LEU 196 Cb 0.15 -0.03 0.68 0.00 -2.33 0.00 0.00 43.42 41.89 1dgq n LEU 196 CO 0.35 0.05 1.19 0.07 -1.33 0.00 0.00 177.39 177.71 1dgq h LYS 197 N 0.47 0.01 0.00 3.23 2.10 -1.13 -0.67 116.57 120.58 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 0.13 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1dgq h LYS 197 CO 0.00 0.01 0.00 1.58 -2.00 0.00 0.00 179.45 179.04 1dgq n HIS 198 N -4.38 0.63 -2.15 0.07 -0.00 -1.26 -4.72 115.22 103.42 1dgq n HIS 198 Ca 0.10 0.25 -0.30 0.00 0.46 0.00 0.00 57.72 58.23 1dgq n HIS 198 Cb 0.61 -0.91 -0.05 0.00 -0.12 0.00 0.00 29.99 29.52 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 -3.26 3.57 -0.37 3.57 1.01 -0.26 -4.91 120.40 119.76 1dgq s VAL 199 Ca 0.05 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 1dgq s VAL 199 Cb 0.09 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1dgq s VAL 199 CO 0.36 -1.14 0.52 -0.54 0.00 0.00 0.00 175.10 174.30 1dgq s LYS 200 N 6.47 3.53 -0.00 2.72 1.02 -1.26 -5.03 119.74 127.18 1dgq s LYS 200 Ca 0.66 -0.25 -0.30 0.00 0.02 0.00 0.00 55.97 56.10 1dgq s LYS 200 Cb -0.04 -3.84 -0.07 0.00 -0.52 0.00 0.00 37.83 33.36 1dgq s LYS 200 CO 0.02 -0.71 1.64 -1.58 -0.92 0.00 0.00 175.35 173.80 1dgq s HIS 201 N 2.43 2.19 -0.01 3.18 2.46 -1.26 -4.94 115.29 119.33 1dgq s HIS 201 Ca 0.19 0.27 -0.24 0.00 0.47 0.00 0.00 55.06 55.75 1dgq s HIS 201 Cb -0.15 -3.92 -0.17 0.00 -0.13 0.00 0.00 32.58 28.20 1dgq s HIS 201 CO 0.14 -3.79 1.16 0.52 -2.47 0.00 0.00 174.74 170.31 1dgq h MET 202 N 8.99 -0.26 -5.31 2.88 2.86 -1.94 -3.49 114.93 118.66 1dgq h MET 202 Ca -0.41 0.02 -0.28 0.00 -2.06 0.00 0.00 59.70 56.97 1dgq h MET 202 Cb 1.19 0.06 0.16 0.00 0.06 0.00 0.00 31.60 33.07 1dgq h MET 202 CO 0.94 0.11 -0.72 1.28 1.06 0.00 0.00 176.91 179.58 1dgq n LEU 203 N -5.02 -4.21 0.00 1.22 4.77 0.51 -4.93 117.00 109.34 1dgq n LEU 203 Ca -0.09 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1dgq n LEU 203 Cb 0.25 -2.92 0.00 0.00 -2.33 0.00 0.00 43.42 38.42 1dgq n LEU 203 CO 0.30 0.29 0.00 0.18 -1.33 0.00 0.00 177.39 176.83 1dgq n LEU 204 N -3.68 0.00 0.00 2.23 4.77 -1.25 -3.96 117.00 115.11 1dgq n LEU 204 Ca -0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 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 0.55 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.79 1dgq n LEU 205 N 0.00 0.00 -3.42 2.23 4.77 -1.26 -1.03 117.00 118.29 1dgq n LEU 205 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 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 -0.28 0.41 -1.33 0.00 0.00 177.39 176.19 1dgq n THR 206 N 0.00 -0.82 -1.55 -5.08 -1.04 -1.26 -2.78 114.28 101.75 1dgq n THR 206 Ca 0.00 -3.66 -0.40 0.00 -2.04 0.00 0.00 64.05 57.95 1dgq n THR 206 Cb 0.00 -1.75 -0.02 0.00 -1.82 0.00 0.00 70.33 66.74 1dgq n THR 206 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1dgq n ASN 207 N 2.55 7.83 -0.01 8.00 2.85 0.66 -0.25 115.26 136.89 1dgq n ASN 207 Ca 0.28 -2.75 -0.11 0.00 -0.11 0.00 0.00 54.58 51.89 1dgq n ASN 207 Cb 0.47 -1.53 -0.06 0.00 1.24 0.00 0.00 39.78 39.91 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 3.08 1.10 0.37 -0.44 2.02 -1.88 0.81 112.91 117.97 1dgq h THR 208 Ca 0.78 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.66 1dgq h THR 208 Cb 0.35 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1dgq h THR 208 CO 1.73 0.09 -0.48 -0.26 0.37 0.00 0.00 175.52 176.97 1dgq h PHE 209 N 0.06 -1.35 -0.77 3.16 -1.00 -1.83 0.18 116.94 115.39 1dgq h PHE 209 Ca 0.04 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 1dgq h PHE 209 Cb 0.10 0.54 -0.04 0.00 3.61 0.00 0.00 35.95 40.16 1dgq h PHE 209 CO -0.04 -0.61 0.45 0.78 -1.61 0.00 0.00 178.31 177.28 1dgq h GLY 210 N -0.88 1.12 1.26 -1.45 0.00 -1.78 -1.03 103.07 100.32 1dgq h GLY 210 Ca -0.04 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 1dgq h GLY 210 CO -0.12 0.46 -0.23 0.00 0.00 0.00 0.00 176.54 176.65 1dgq h ALA 211 N 1.43 0.80 0.13 3.60 0.00 -0.52 0.15 119.26 124.85 1dgq h ALA 211 Ca 0.27 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1dgq h ALA 211 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1dgq h ALA 211 CO -0.05 0.65 -0.06 0.82 0.00 0.00 0.00 179.25 180.61 1dgq h ILE 212 N 0.74 0.88 -0.45 0.00 2.04 -0.07 0.57 117.51 121.22 1dgq h ILE 212 Ca 0.10 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 66.00 1dgq h ILE 212 Cb 0.77 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 1dgq h ILE 212 CO 0.06 0.00 0.15 0.78 0.00 0.00 0.00 178.15 179.14 1dgq h ASN 213 N -0.18 0.14 0.05 1.72 2.35 -0.96 0.10 115.58 118.81 1dgq h ASN 213 Ca -0.02 0.06 0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1dgq h ASN 213 Cb 0.14 0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.51 1dgq h ASN 213 CO 0.03 0.11 -0.37 0.22 -1.65 0.00 0.00 177.43 175.77 1dgq h TYR 214 N 0.31 -1.04 -0.24 1.19 3.20 -0.47 -2.48 116.97 117.44 1dgq h TYR 214 Ca 0.21 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.17 1dgq h TYR 214 Cb 0.22 0.45 -0.06 0.00 1.54 0.00 0.00 36.73 38.88 1dgq h TYR 214 CO -0.16 -0.47 -0.19 0.28 -1.64 0.00 0.00 178.16 175.98 1dgq h VAL 215 N -0.56 0.49 -0.87 1.81 2.07 -0.45 0.38 116.25 119.12 1dgq h VAL 215 Ca 0.04 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.77 1dgq h VAL 215 Cb 0.62 0.49 -0.12 0.00 -1.52 0.00 0.00 31.29 30.76 1dgq h VAL 215 CO -0.26 0.00 0.35 0.00 0.02 0.00 0.00 177.57 177.67 1dgq h ALA 216 N 0.94 1.33 0.00 1.67 0.00 -0.63 -1.26 119.26 121.32 1dgq h ALA 216 Ca 0.14 0.16 -0.44 0.00 0.00 0.00 0.00 54.91 54.77 1dgq h ALA 216 Cb 0.39 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1dgq h ALA 216 CO -0.35 -0.34 -2.51 0.25 0.00 0.00 0.00 179.25 176.31 1dgq n THR 217 N -5.07 1.48 0.02 0.00 -2.24 -0.94 -4.37 114.28 103.17 1dgq n THR 217 Ca 0.20 -0.41 0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1dgq n THR 217 Cb 0.61 -1.78 -0.10 0.00 -2.10 0.00 0.00 70.33 66.96 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 -4.03 0.64 -0.13 -0.78 -0.58 0.13 -4.52 120.64 111.37 1dgq n GLU 218 Ca -0.52 0.01 -0.26 0.00 -0.42 0.00 0.00 57.16 55.97 1dgq n GLU 218 Cb 0.90 -1.67 -0.10 0.00 -0.57 0.00 0.00 31.44 29.99 1dgq n GLU 218 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1dgq n VAL 219 N -2.57 1.46 -1.22 2.62 0.31 -0.64 -4.62 118.33 113.67 1dgq n VAL 219 Ca -0.07 -0.42 -0.43 0.00 -0.01 0.00 0.00 64.34 63.41 1dgq n VAL 219 Cb 0.69 -1.75 -0.05 0.00 -0.91 0.00 0.00 33.84 31.81 1dgq n VAL 219 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1dgq n PHE 220 N -3.96 2.01 -4.55 3.52 3.72 -0.57 -4.71 117.46 112.92 1dgq n PHE 220 Ca -0.51 -1.87 -0.22 0.00 -0.05 0.00 0.00 57.45 54.80 1dgq n PHE 220 Cb 0.90 -1.79 -0.15 0.00 -0.94 0.00 0.00 39.48 37.49 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 4.93 1.16 0.18 -1.08 0.52 -1.26 -4.80 118.95 118.59 1dgq s ARG 221 Ca 0.57 -0.42 -0.13 0.00 -0.52 0.00 0.00 55.73 55.24 1dgq s ARG 221 Cb 0.14 -1.07 0.15 0.00 0.52 0.00 0.00 34.95 34.69 1dgq s ARG 221 CO 0.11 0.19 1.79 0.93 0.02 0.00 0.00 175.30 178.34 1dgq h GLU 222 N 6.17 0.50 -0.73 3.54 4.39 -1.89 -0.09 114.58 126.47 1dgq h GLU 222 Ca -0.33 -0.03 0.16 0.00 0.34 0.00 0.00 59.36 59.49 1dgq h GLU 222 Cb 1.17 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.66 1dgq h GLU 222 CO 0.49 0.33 0.50 1.05 -1.16 0.00 0.00 179.01 180.21 1dgq h GLU 223 N 0.51 0.33 -0.16 2.33 9.09 -1.97 0.20 114.58 124.92 1dgq h GLU 223 Ca 0.23 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.62 1dgq h GLU 223 Cb 0.14 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 1dgq h GLU 223 CO -0.16 0.22 0.00 1.28 0.05 0.00 0.00 179.01 180.40 1dgq n LEU 224 N -4.46 1.24 0.00 3.06 4.77 -0.13 -4.88 117.00 116.60 1dgq n LEU 224 Ca 0.14 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 1dgq n LEU 224 Cb 0.56 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1dgq n LEU 224 CO 0.33 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1dgq n GLY 225 N 1.00 0.91 3.56 -0.72 0.00 0.69 -0.45 105.19 110.18 1dgq n GLY 225 Ca 0.14 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 2.15 0.17 4.61 0.00 -0.70 -4.59 121.76 121.39 1dgq s ALA 226 Ca 0.00 -1.71 -0.32 0.00 0.00 0.00 0.00 51.96 49.93 1dgq s ALA 226 Cb 0.00 -4.51 -0.11 0.00 0.00 0.00 0.00 23.12 18.50 1dgq s ALA 226 CO 0.00 -4.22 1.66 1.03 0.00 0.00 0.00 175.76 174.23 1dgq s ARG 227 N 6.19 4.17 0.20 0.00 0.52 -1.26 -4.03 118.95 124.74 1dgq s ARG 227 Ca 0.59 2.48 -0.09 0.00 -0.52 0.00 0.00 55.73 58.19 1dgq s ARG 227 Cb -0.05 -3.21 0.14 0.00 0.52 0.00 0.00 34.95 32.35 1dgq s ARG 227 CO -0.02 -0.70 1.78 -1.00 0.02 0.00 0.00 175.30 175.38 1dgq h PRO 228 N 7.14 1.11 -0.03 3.54 0.13 -1.98 -2.80 132.00 139.11 1dgq h PRO 228 Ca -0.43 -0.19 -0.17 0.00 -0.87 0.00 0.00 66.00 64.34 1dgq h PRO 228 Cb 1.20 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1dgq h PRO 228 CO 0.94 0.89 -0.75 0.38 -0.23 0.00 0.00 178.00 179.23 1dgq h ASP 229 N 1.07 0.25 -2.54 1.44 2.03 -1.97 -3.45 116.42 113.25 1dgq h ASP 229 Ca 0.25 -0.17 -0.54 0.00 -0.73 0.00 0.00 57.03 55.85 1dgq h ASP 229 Cb 0.18 -0.07 0.05 0.00 -0.83 0.00 0.00 39.33 38.66 1dgq h ASP 229 CO -0.02 0.90 1.01 0.00 -1.03 0.00 0.00 179.24 180.10 1dgq n ALA 230 N -2.46 2.41 -1.70 4.15 0.00 -1.06 -4.84 120.51 117.01 1dgq n ALA 230 Ca -0.03 0.38 -0.56 0.00 0.00 0.00 0.00 53.44 53.23 1dgq n ALA 230 Cb 0.72 -2.52 -0.07 0.00 0.00 0.00 0.00 19.45 17.58 1dgq n ALA 230 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1dgq n THR 231 N 4.10 0.31 -2.31 0.00 -1.04 0.10 -4.11 114.28 111.33 1dgq n THR 231 Ca 0.17 -0.06 -0.40 0.00 -2.04 0.00 0.00 64.05 61.72 1dgq n THR 231 Cb 0.34 -1.26 -0.01 0.00 -1.82 0.00 0.00 70.33 67.58 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 5.30 2.76 -3.74 -2.82 4.76 -1.26 -0.13 118.16 123.03 1dgq n LYS 232 Ca 0.26 -2.98 -0.36 0.00 -2.87 0.00 0.00 58.31 52.36 1dgq n LYS 232 Cb 0.15 -3.50 -0.07 0.00 -1.84 0.00 0.00 35.03 29.77 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 5.53 5.42 -0.28 -0.18 1.01 0.68 -0.60 120.40 131.97 1dgq s VAL 233 Ca 0.56 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.79 1dgq s VAL 233 Cb 0.05 -3.47 0.08 0.00 0.00 0.00 0.00 36.38 33.03 1dgq s VAL 233 CO 0.07 0.48 0.02 -0.22 0.00 0.00 0.00 175.10 175.46 1dgq s LEU 234 N 0.01 2.86 -0.48 3.92 2.96 0.40 -0.71 118.68 127.63 1dgq s LEU 234 Ca 0.11 -1.51 -0.17 0.00 -0.22 0.00 0.00 54.13 52.33 1dgq s LEU 234 Cb -0.12 -1.14 0.06 0.00 0.50 0.00 0.00 46.19 45.50 1dgq s LEU 234 CO 0.00 -0.33 0.51 -0.63 -1.32 0.00 0.00 176.35 174.58 1dgq s ILE 235 N 1.39 5.05 -0.23 6.68 1.01 0.43 -0.68 121.20 134.85 1dgq s ILE 235 Ca 0.03 -0.74 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 1dgq s ILE 235 Cb -0.18 -4.20 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 1dgq s ILE 235 CO -0.13 -0.67 0.73 -0.63 0.00 0.00 0.00 174.94 174.24 1dgq s ILE 236 N 2.15 4.92 -0.34 2.92 1.09 0.42 -0.48 121.20 131.88 1dgq s ILE 236 Ca 0.10 1.36 -0.07 0.00 -1.10 0.00 0.00 60.65 60.94 1dgq s ILE 236 Cb -0.21 -4.03 0.03 0.00 -1.06 0.00 0.00 42.46 37.19 1dgq s ILE 236 CO 0.10 -0.00 0.12 -0.63 -0.10 0.00 0.00 174.94 174.42 1dgq s ILE 237 N 2.53 3.93 0.02 2.92 1.01 0.18 -0.69 121.20 131.09 1dgq s ILE 237 Ca 0.31 -1.05 0.05 0.00 0.00 0.00 0.00 60.65 59.96 1dgq s ILE 237 Cb -0.16 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 1dgq s ILE 237 CO 0.09 -0.17 -0.14 0.28 0.00 0.00 0.00 174.94 174.99 1dgq s THR 238 N 1.44 1.14 -0.17 2.92 -1.32 -0.37 -0.25 115.64 119.02 1dgq s THR 238 Ca -0.01 -0.85 0.17 0.00 -1.21 0.00 0.00 61.69 59.79 1dgq s THR 238 Cb -0.19 -0.99 0.45 0.00 -1.51 0.00 0.00 72.50 70.25 1dgq s THR 238 CO 0.03 0.14 1.18 -0.90 -2.21 0.00 0.00 174.62 172.86 1dgq n ASP 239 N 2.23 2.11 -2.69 8.08 5.75 -1.26 -0.74 116.55 130.03 1dgq n ASP 239 Ca -0.16 -3.00 -0.06 0.00 -0.01 0.00 0.00 54.79 51.56 1dgq n ASP 239 Cb 0.55 -0.42 0.08 0.00 -1.03 0.00 0.00 41.12 40.31 1dgq n ASP 239 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dgq n GLY 240 N -0.48 0.73 7.00 6.12 0.00 -1.26 -4.58 105.19 112.72 1dgq n GLY 240 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1dgq n GLY 240 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dgq n GLU 241 N -0.52 0.00 -3.50 1.61 4.71 -1.26 -4.50 120.64 117.19 1dgq n GLU 241 Ca -0.09 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.84 1dgq n GLU 241 Cb 0.79 0.00 -0.13 0.00 -1.01 0.00 0.00 31.44 31.09 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 -1.49 0.01 0.12 0.62 0.00 -1.26 -4.83 121.76 114.93 1dgq s ALA 242 Ca 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.64 1dgq s ALA 242 Cb 0.00 -1.43 -0.19 0.00 0.00 0.00 0.00 23.12 21.50 1dgq s ALA 242 CO 0.00 -1.46 1.26 1.79 0.00 0.00 0.00 175.76 177.35 1dgq h THR 243 N 6.34 1.60 -0.12 0.00 1.35 -0.85 -3.35 112.91 117.87 1dgq h THR 243 Ca -0.17 -3.13 -0.01 0.00 -0.55 0.00 0.00 66.41 62.55 1dgq h THR 243 Cb 1.09 2.80 -0.01 0.00 -1.73 0.00 0.00 68.15 70.30 1dgq h THR 243 CO 0.34 0.90 0.02 -0.78 -0.25 0.00 0.00 175.52 175.75 1dgq h ASP 244 N 0.05 0.15 -5.76 5.36 3.58 -1.92 -3.47 116.42 114.42 1dgq h ASP 244 Ca -0.06 -0.01 -0.39 0.00 0.42 0.00 0.00 57.03 56.99 1dgq h ASP 244 Cb 1.78 -0.04 0.14 0.00 1.72 0.00 0.00 39.33 42.93 1dgq h ASP 244 CO 0.16 0.17 -0.68 -1.20 -2.88 0.00 0.00 179.24 174.81 1dgq n SER 245 N -4.45 -5.96 0.00 2.28 7.64 -1.26 -4.99 113.62 106.88 1dgq n SER 245 Ca -0.01 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.33 1dgq n SER 245 Cb 0.13 -4.97 0.00 0.00 -1.01 0.00 0.00 64.21 58.36 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 -1.92 0.54 3.56 0.23 0.00 -1.26 -5.13 105.19 101.21 1dgq n GLY 246 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 0.44 0.00 1.61 2.20 -1.26 -5.09 114.94 111.84 1dgq s ASN 247 Ca 0.00 -1.25 0.00 0.00 -0.94 0.00 0.00 52.86 50.67 1dgq s ASN 247 Cb 0.00 0.66 0.00 0.00 -2.00 0.00 0.00 41.25 39.91 1dgq s ASN 247 CO 0.00 -1.29 0.90 2.30 -2.94 0.00 0.00 177.10 176.07 1dgq n ILE 248 N -0.49 0.00 -0.34 0.54 -5.35 -1.26 -4.56 119.36 107.90 1dgq n ILE 248 Ca -0.01 0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.55 1dgq n ILE 248 Cb 0.62 0.40 0.24 0.00 -1.74 0.00 0.00 39.64 39.16 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 0.00 0.79 -1.36 7.28 3.58 -1.98 0.45 116.42 125.18 1dgq h ASP 249 Ca 0.00 0.07 0.40 0.00 0.42 0.00 0.00 57.03 57.92 1dgq h ASP 249 Cb 1.32 -0.08 -0.09 0.00 1.72 0.00 0.00 39.33 42.20 1dgq h ASP 249 CO 0.00 0.38 0.93 0.00 -2.88 0.00 0.00 179.24 177.66 1dgq h ALA 250 N 1.56 2.97 -0.58 -0.78 0.00 -1.96 -0.11 119.26 120.35 1dgq h ALA 250 Ca 0.50 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1dgq h ALA 250 Cb 0.60 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1dgq h ALA 250 CO -0.31 -1.46 0.00 0.00 0.00 0.00 0.00 179.25 177.48 1dgq n ALA 251 N -2.66 2.31 -0.31 0.00 0.00 0.15 -4.72 120.51 115.27 1dgq n ALA 251 Ca 0.33 -1.23 0.20 0.00 0.00 0.00 0.00 53.44 52.74 1dgq n ALA 251 Cb 1.38 -0.75 0.47 0.00 0.00 0.00 0.00 19.45 20.56 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 3.52 0.45 0.00 0.00 2.10 -1.01 0.88 116.57 122.52 1dgq h LYS 252 Ca 0.00 -0.03 -0.14 0.00 -2.00 0.00 0.00 60.65 58.48 1dgq h LYS 252 Cb 0.90 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.11 1dgq h LYS 252 CO 0.00 0.30 -0.69 0.22 -2.00 0.00 0.00 179.45 177.28 1dgq h ASP 253 N 0.47 0.00 -4.00 7.07 3.58 -1.84 -3.46 116.42 118.23 1dgq h ASP 253 Ca 0.56 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 57.56 1dgq h ASP 253 Cb 1.31 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.34 1dgq h ASP 253 CO -0.28 0.69 0.35 -0.63 -2.88 0.00 0.00 179.24 176.49 1dgq s ILE 254 N -3.33 4.24 -0.80 2.25 1.01 0.30 -4.97 121.20 119.90 1dgq s ILE 254 Ca -0.00 1.54 -0.25 0.00 0.00 0.00 0.00 60.65 61.94 1dgq s ILE 254 Cb 0.11 -3.71 0.05 0.00 0.01 0.00 0.00 42.46 38.92 1dgq s ILE 254 CO 0.77 -0.16 1.27 -0.63 0.00 0.00 0.00 174.94 176.19 1dgq s ILE 255 N -1.97 3.90 -0.88 2.92 -1.09 0.23 -4.85 121.20 119.48 1dgq s ILE 255 Ca 0.59 -0.08 -0.25 0.00 -2.23 0.00 0.00 60.65 58.68 1dgq s ILE 255 Cb -0.13 -4.91 0.02 0.00 -1.58 0.00 0.00 42.46 35.86 1dgq s ILE 255 CO 0.18 -1.81 1.52 -0.13 -1.23 0.00 0.00 174.94 173.47 1dgq s ARG 256 N 5.17 3.21 0.09 2.79 3.00 -1.26 -0.45 118.95 131.50 1dgq s ARG 256 Ca 0.36 -0.55 -0.22 0.00 0.00 0.00 0.00 55.73 55.31 1dgq s ARG 256 Cb -0.07 -4.86 -0.07 0.00 0.00 0.00 0.00 34.95 29.95 1dgq s ARG 256 CO 0.07 -2.43 0.67 -0.47 0.00 0.00 0.00 175.30 173.14 1dgq s TYR 257 N 6.42 3.81 -0.03 -0.53 6.14 0.14 -1.17 117.35 132.13 1dgq s TYR 257 Ca 0.49 1.41 -0.01 0.00 0.64 0.00 0.00 57.07 59.59 1dgq s TYR 257 Cb -0.05 -2.65 0.03 0.00 0.42 0.00 0.00 41.96 39.71 1dgq s TYR 257 CO 0.02 0.48 0.07 -1.50 0.64 0.00 0.00 175.55 175.26 1dgq s ILE 258 N -0.81 -0.04 -0.25 3.14 2.07 0.25 -0.43 121.20 125.12 1dgq s ILE 258 Ca 0.33 0.15 -0.09 0.00 -1.41 0.00 0.00 60.65 59.63 1dgq s ILE 258 Cb -0.21 -0.13 -0.04 0.00 0.13 0.00 0.00 42.46 42.21 1dgq s ILE 258 CO 0.22 0.06 0.13 -0.63 -1.91 0.00 0.00 174.94 172.80 1dgq s ILE 259 N 0.82 4.85 -0.58 2.00 1.09 0.13 -0.55 121.20 128.96 1dgq s ILE 259 Ca -0.07 0.01 -0.10 0.00 -1.10 0.00 0.00 60.65 59.39 1dgq s ILE 259 Cb -0.09 -3.28 0.15 0.00 -1.06 0.00 0.00 42.46 38.18 1dgq s ILE 259 CO -0.03 0.32 0.48 -0.83 -0.10 0.00 0.00 174.94 174.77 1dgq s GLY 260 N 1.49 2.26 -0.02 6.18 0.00 0.19 -1.24 107.32 116.18 1dgq s GLY 260 Ca 0.06 -2.82 -0.30 0.00 0.00 0.00 0.00 44.72 41.66 1dgq s GLY 260 CO 0.06 1.16 1.62 -0.42 0.00 0.00 0.00 173.10 175.52 1dgq s ILE 261 N 0.91 3.47 0.23 0.90 1.01 0.08 -1.37 121.20 126.43 1dgq s ILE 261 Ca 0.10 0.70 -0.06 0.00 0.00 0.00 0.00 60.65 61.38 1dgq s ILE 261 Cb -0.22 -3.45 0.37 0.00 0.01 0.00 0.00 42.46 39.17 1dgq s ILE 261 CO -0.02 -0.04 1.26 0.61 0.00 0.00 0.00 174.94 176.74 1dgq n GLY 262 N 4.04 -1.34 0.33 6.18 0.00 0.45 -1.15 105.19 113.70 1dgq n GLY 262 Ca 0.16 0.86 0.21 0.00 0.00 0.00 0.00 46.02 47.25 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 -5.31 -0.07 0.00 1.61 4.01 -1.25 -0.70 118.16 116.45 1dgq n LYS 263 Ca 0.13 1.41 0.07 0.00 -0.51 0.00 0.00 58.31 59.41 1dgq n LYS 263 Cb 0.41 -2.35 -0.07 0.00 -0.51 0.00 0.00 35.03 32.50 1dgq n LYS 263 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1dgq n HIS 264 N -5.36 0.00 -1.27 2.13 8.25 -0.30 -4.40 115.22 114.28 1dgq n HIS 264 Ca 0.28 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.65 1dgq n HIS 264 Cb 0.94 0.00 0.22 0.00 1.12 0.00 0.00 29.99 32.27 1dgq n HIS 264 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1dgq n PHE 265 N -1.26 1.90 -0.15 4.41 3.72 0.12 -4.31 117.46 121.88 1dgq n PHE 265 Ca 0.03 -1.54 -0.09 0.00 -0.05 0.00 0.00 57.45 55.80 1dgq n PHE 265 Cb 0.22 -0.64 0.05 0.00 -0.94 0.00 0.00 39.48 38.17 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 1.35 0.94 -6.40 -1.08 4.20 -1.17 -3.43 115.11 109.52 1dgq h GLN 266 Ca 0.33 -0.34 -0.57 0.00 0.06 0.00 0.00 58.65 58.13 1dgq h GLN 266 Cb 2.12 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 29.79 1dgq h GLN 266 CO 0.65 1.00 1.13 0.95 -0.67 0.00 0.00 178.83 181.89 1dgq s THR 267 N -4.81 3.76 0.26 -0.54 -4.23 -1.26 -4.91 115.64 103.91 1dgq s THR 267 Ca -0.11 0.80 -0.02 0.00 -1.18 0.00 0.00 61.69 61.18 1dgq s THR 267 Cb 0.13 -3.95 0.24 0.00 1.34 0.00 0.00 72.50 70.26 1dgq s THR 267 CO 0.85 -0.56 1.72 0.50 -0.54 0.00 0.00 174.62 176.60 1dgq h LYS 268 N 11.24 0.44 -0.87 3.99 1.63 -1.96 0.27 116.57 131.31 1dgq h LYS 268 Ca -0.30 -0.03 0.15 0.00 -0.85 0.00 0.00 60.65 59.62 1dgq h LYS 268 Cb 1.13 -0.10 -0.09 0.00 -0.60 0.00 0.00 32.23 32.57 1dgq h LYS 268 CO 1.05 0.29 0.47 1.05 -3.45 0.00 0.00 179.45 178.86 1dgq h GLU 269 N 0.45 0.65 -0.44 1.90 -0.00 -1.96 0.11 114.58 115.28 1dgq h GLU 269 Ca 0.46 -0.04 -0.09 0.00 -0.00 0.00 0.00 59.36 59.69 1dgq h GLU 269 Cb 0.75 -0.15 -0.01 0.00 -0.00 0.00 0.00 28.75 29.34 1dgq h GLU 269 CO -0.44 0.43 -0.08 0.77 -0.00 0.00 0.00 179.01 179.69 1dgq h SER 270 N 0.67 0.84 -0.41 3.06 0.02 -0.84 -0.94 113.55 115.95 1dgq h SER 270 Ca 0.47 -0.35 0.07 0.00 -0.84 0.00 0.00 61.79 61.15 1dgq h SER 270 Cb 0.66 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 62.90 1dgq h SER 270 CO -0.35 0.99 0.00 1.56 -1.14 0.00 0.00 176.83 177.89 1dgq h GLN 271 N 0.67 0.11 -0.75 3.45 4.20 -0.37 -1.86 115.11 120.55 1dgq h GLN 271 Ca 0.12 -0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.92 1dgq h GLN 271 Cb 0.61 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.29 1dgq h GLN 271 CO 0.04 0.07 0.38 0.93 -0.67 0.00 0.00 178.83 179.58 1dgq h GLU 272 N 0.11 0.62 -0.55 1.46 4.39 -0.09 0.44 114.58 120.95 1dgq h GLU 272 Ca 0.20 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.94 1dgq h GLU 272 Cb 0.29 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 1dgq h GLU 272 CO -0.33 0.41 0.20 1.79 -1.16 0.00 0.00 179.01 179.92 1dgq h THR 273 N 0.63 0.80 -0.52 1.13 1.35 -0.39 -0.66 112.91 115.26 1dgq h THR 273 Ca 0.37 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 1dgq h THR 273 Cb 0.40 0.39 -0.03 0.00 -1.73 0.00 0.00 68.15 67.18 1dgq h THR 273 CO -0.28 0.07 0.34 -0.07 -0.25 0.00 0.00 175.52 175.33 1dgq h LEU 274 N 0.38 0.61 -0.91 3.87 3.38 -0.70 -1.49 115.31 120.45 1dgq h LEU 274 Ca 0.27 -0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.36 1dgq h LEU 274 Cb 0.31 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 1dgq h LEU 274 CO -0.28 0.45 0.52 0.45 0.09 0.00 0.00 178.44 179.68 1dgq h HIS 275 N 0.71 0.92 0.15 1.13 3.86 0.02 0.17 115.15 122.11 1dgq h HIS 275 Ca 0.19 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1dgq h HIS 275 Cb -0.06 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.14 1dgq h HIS 275 CO -0.03 0.27 -0.07 0.87 0.86 0.00 0.00 177.93 179.82 1dgq h LYS 276 N 0.75 -0.20 -0.45 2.45 1.57 -0.22 -3.29 116.57 117.18 1dgq h LYS 276 Ca 0.49 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.26 1dgq h LYS 276 Cb 0.64 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1dgq h LYS 276 CO -0.33 -0.06 0.19 0.74 -0.57 0.00 0.00 179.45 179.42 1dgq h PHE 277 N -0.29 0.66 -4.22 -1.35 0.04 -0.26 -3.45 116.94 108.06 1dgq h PHE 277 Ca -0.02 -0.04 -0.53 0.00 2.80 0.00 0.00 57.97 60.18 1dgq h PHE 277 Cb 0.23 -0.20 0.18 0.00 2.20 0.00 0.00 35.95 38.36 1dgq h PHE 277 CO -0.04 0.56 0.32 0.00 -0.60 0.00 0.00 178.31 178.55 1dgq s ALA 278 N -5.62 1.83 0.76 2.45 0.00 0.46 -4.75 121.76 116.90 1dgq s ALA 278 Ca -0.13 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 1dgq s ALA 278 Cb 0.11 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.81 1dgq s ALA 278 CO 0.76 -2.29 1.08 -1.12 0.00 0.00 0.00 175.76 174.19 1dgq s SER 279 N -2.34 4.76 0.01 0.00 0.01 -0.32 -4.90 113.70 110.93 1dgq s SER 279 Ca 0.71 1.54 -0.00 0.00 1.31 0.00 0.00 55.95 59.50 1dgq s SER 279 Cb -0.26 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1dgq s SER 279 CO 0.51 -1.83 0.11 -0.54 0.41 0.00 0.00 173.24 171.91 1dgq s LYS 280 N -5.05 3.15 0.05 12.44 -0.14 -1.26 -3.58 119.74 125.35 1dgq s LYS 280 Ca 0.60 -0.48 -0.31 0.00 -1.36 0.00 0.00 55.97 54.43 1dgq s LYS 280 Cb -0.15 -2.91 -0.06 0.00 -1.68 0.00 0.00 37.83 33.04 1dgq s LYS 280 CO 0.55 0.64 1.28 -2.14 -0.76 0.00 0.00 175.35 174.91 1dgq s PRO 281 N -1.95 4.37 0.52 -1.68 0.02 -1.26 -4.99 135.00 130.03 1dgq s PRO 281 Ca 0.26 1.86 0.21 0.00 0.02 0.00 0.00 61.00 63.34 1dgq s PRO 281 Cb -0.12 -3.39 1.33 0.00 0.02 0.00 0.00 34.50 32.34 1dgq s PRO 281 CO 0.17 -0.38 2.07 0.00 -0.33 0.00 0.00 177.00 178.54 1dgq h ALA 282 N 7.07 2.26 -0.76 -1.55 0.00 -1.92 0.93 119.26 125.29 1dgq h ALA 282 Ca -0.40 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.60 1dgq h ALA 282 Cb 1.20 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1dgq h ALA 282 CO 0.85 -0.34 0.50 0.66 0.00 0.00 0.00 179.25 180.92 1dgq h SER 283 N 0.01 0.60 0.05 0.00 4.64 -1.89 0.17 113.55 117.12 1dgq h SER 283 Ca 0.13 0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.29 1dgq h SER 283 Cb 0.52 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1dgq h SER 283 CO -0.00 0.35 -0.90 -0.33 -0.87 0.00 0.00 176.83 175.08 1dgq h GLU 284 N 0.66 0.10 0.00 4.77 4.39 -1.22 -3.41 114.58 119.88 1dgq h GLU 284 Ca 0.35 -0.18 -0.18 0.00 0.34 0.00 0.00 59.36 59.70 1dgq h GLU 284 Cb 0.48 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 1dgq h GLU 284 CO -0.13 1.08 -0.91 0.74 -1.16 0.00 0.00 179.01 178.63 1dgq h PHE 285 N -0.72 0.00 -3.22 4.33 0.04 -1.09 -3.45 116.94 112.82 1dgq h PHE 285 Ca -0.21 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.96 1dgq h PHE 285 Cb 1.39 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.46 1dgq h PHE 285 CO 0.17 0.80 -0.24 0.08 -0.60 0.00 0.00 178.31 178.52 1dgq s VAL 286 N -2.80 5.21 -0.32 -0.55 1.01 0.59 -0.58 120.40 122.96 1dgq s VAL 286 Ca 0.01 0.74 0.03 0.00 0.00 0.00 0.00 61.98 62.76 1dgq s VAL 286 Cb 0.09 -3.71 0.09 0.00 0.00 0.00 0.00 36.38 32.86 1dgq s VAL 286 CO 0.79 0.41 0.04 -0.54 0.00 0.00 0.00 175.10 175.81 1dgq s LYS 287 N 0.15 1.42 -1.21 2.72 -0.14 0.29 -4.78 119.74 118.18 1dgq s LYS 287 Ca 0.21 -1.61 -0.21 0.00 -1.36 0.00 0.00 55.97 53.00 1dgq s LYS 287 Cb -0.14 -2.91 -0.03 0.00 -1.68 0.00 0.00 37.83 33.07 1dgq s LYS 287 CO 0.08 -0.89 1.88 -0.89 -0.76 0.00 0.00 175.35 174.77 1dgq n ILE 288 N 4.41 2.69 -2.38 2.17 2.08 -1.26 -0.64 119.36 126.43 1dgq n ILE 288 Ca 0.00 -2.75 -0.39 0.00 0.56 0.00 0.00 62.75 60.17 1dgq n ILE 288 Cb 0.42 -2.26 -0.03 0.00 -0.75 0.00 0.00 39.64 37.02 1dgq n ILE 288 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1dgq s LEU 289 N 7.60 3.27 0.34 1.39 2.96 -0.47 -4.71 118.68 129.06 1dgq s LEU 289 Ca 0.62 -0.57 0.13 0.00 -0.22 0.00 0.00 54.13 54.09 1dgq s LEU 289 Cb 0.03 -2.56 1.09 0.00 0.50 0.00 0.00 46.19 45.25 1dgq s LEU 289 CO 0.11 -1.99 1.55 -0.90 -1.32 0.00 0.00 176.35 173.80 1dgq n ASP 290 N 10.57 0.15 -3.96 3.68 5.68 -1.26 -0.41 116.55 131.00 1dgq n ASP 290 Ca 0.19 1.65 -0.09 0.00 -0.50 0.00 0.00 54.79 56.04 1dgq n ASP 290 Cb 0.50 -0.72 -0.10 0.00 -1.14 0.00 0.00 41.12 39.66 1dgq n ASP 290 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1dgq s THR 291 N -5.70 0.14 0.35 2.12 -4.23 -1.26 -3.53 115.64 103.53 1dgq s THR 291 Ca -0.10 -1.12 0.10 0.00 -1.18 0.00 0.00 61.69 59.38 1dgq s THR 291 Cb 0.32 -0.81 0.33 0.00 1.34 0.00 0.00 72.50 73.68 1dgq s THR 291 CO 0.77 -0.62 1.83 -0.26 -0.54 0.00 0.00 174.62 175.80 1dgq h PHE 292 N 3.85 0.86 -0.89 3.99 0.04 -1.98 -0.33 116.94 122.48 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 1.18 -0.26 -0.15 0.00 2.20 0.00 0.00 35.95 38.92 1dgq h PHE 292 CO 0.57 0.26 0.19 0.93 -0.60 0.00 0.00 178.31 179.66 1dgq h GLU 293 N 0.67 0.15 0.00 1.51 3.07 -1.96 0.61 114.58 118.63 1dgq h GLU 293 Ca 0.50 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1dgq h GLU 293 Cb 0.87 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 1dgq h GLU 293 CO -0.26 0.10 0.00 1.63 -1.40 0.00 0.00 179.01 179.08 1dgq n LYS 294 N -5.28 0.60 -0.20 2.33 4.76 -0.13 -3.22 118.16 117.02 1dgq n LYS 294 Ca 0.22 0.01 0.20 0.00 -2.87 0.00 0.00 58.31 55.87 1dgq n LYS 294 Cb 0.70 -1.50 0.56 0.00 -1.84 0.00 0.00 35.03 32.95 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 0.30 -0.63 -0.35 3.38 -0.97 0.28 115.31 117.32 1dgq h LEU 295 Ca 0.00 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1dgq h LEU 295 Cb 0.02 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1dgq h LEU 295 CO 0.00 0.13 0.16 0.11 0.09 0.00 0.00 178.44 178.93 1dgq h LYS 296 N 0.31 1.00 -0.17 1.13 1.57 -1.78 1.00 116.57 119.62 1dgq h LYS 296 Ca 0.43 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1dgq h LYS 296 Cb 1.19 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1dgq h LYS 296 CO -0.12 0.90 0.03 0.22 -0.57 0.00 0.00 179.45 179.91 1dgq h ASP 297 N 0.92 0.28 -0.22 0.86 3.58 -0.85 -1.09 116.42 119.90 1dgq h ASP 297 Ca 0.20 -0.26 0.06 0.00 0.42 0.00 0.00 57.03 57.45 1dgq h ASP 297 Cb 0.35 -0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.26 1dgq h ASP 297 CO 0.00 0.46 -0.22 0.25 -2.88 0.00 0.00 179.24 176.86 1dgq h LEU 298 N 0.08 -0.69 -0.39 2.28 5.85 -0.59 0.14 115.31 121.98 1dgq h LEU 298 Ca 0.05 0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.98 1dgq h LEU 298 Cb 0.31 0.33 -0.09 0.00 0.37 0.00 0.00 40.66 41.57 1dgq h LEU 298 CO 0.00 -0.26 -0.33 0.15 -0.34 0.00 0.00 178.44 177.67 1dgq h PHE 299 N -0.23 -0.91 -0.39 1.25 3.57 -0.65 0.26 116.94 119.84 1dgq h PHE 299 Ca 0.13 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.75 1dgq h PHE 299 Cb 0.43 0.46 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 1dgq h PHE 299 CO -0.36 -0.38 0.06 1.15 -2.23 0.00 0.00 178.31 176.55 1dgq h THR 300 N -0.26 0.78 -0.38 4.41 2.02 -0.29 0.94 112.91 120.13 1dgq h THR 300 Ca 0.17 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1dgq h THR 300 Cb 0.54 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1dgq h THR 300 CO -0.53 0.03 0.24 -0.08 0.37 0.00 0.00 175.52 175.55 1dgq h GLU 301 N 0.19 0.50 -0.60 6.66 4.57 0.04 0.27 114.58 126.21 1dgq h GLU 301 Ca 0.19 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.28 1dgq h GLU 301 Cb 0.23 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 1dgq h GLU 301 CO -0.26 0.36 0.18 -0.07 -1.18 0.00 0.00 179.01 178.04 1dgq h LEU 302 N 0.50 0.87 -0.66 1.64 3.38 0.08 0.66 115.31 121.78 1dgq h LEU 302 Ca 0.14 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1dgq h LEU 302 Cb -0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1dgq h LEU 302 CO -0.03 0.85 0.40 1.56 0.09 0.00 0.00 178.44 181.32 1dgq h GLN 303 N 0.85 0.77 -0.25 1.13 1.08 -0.47 0.19 115.11 118.41 1dgq h GLN 303 Ca 0.19 -0.05 0.04 0.00 -1.45 0.00 0.00 58.65 57.39 1dgq h GLN 303 Cb 0.29 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 1dgq h GLN 303 CO -0.01 0.51 0.01 -0.22 -0.95 0.00 0.00 178.83 178.17 1dgq h LYS 304 N 0.79 0.09 0.21 1.46 1.63 -0.27 0.16 116.57 120.65 1dgq h LYS 304 Ca 0.27 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.06 1dgq h LYS 304 Cb 0.04 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1dgq h LYS 304 CO -0.11 0.06 -0.13 0.87 -3.45 0.00 0.00 179.45 176.69 1dgq h LYS 305 N 0.09 -0.32 -0.99 1.90 1.57 -0.38 -2.65 116.57 115.79 1dgq h LYS 305 Ca 0.12 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.07 1dgq h LYS 305 Cb 0.14 0.07 -0.10 0.00 0.08 0.00 0.00 32.23 32.43 1dgq h LYS 305 CO -0.18 -0.21 0.60 0.82 -0.57 0.00 0.00 179.45 179.90 1dgq h ILE 306 N -0.33 0.81 -0.97 1.86 2.04 -0.38 0.79 117.51 121.32 1dgq h ILE 306 Ca -0.02 -0.29 0.19 0.00 1.00 0.00 0.00 64.86 65.74 1dgq h ILE 306 Cb 0.27 -0.12 -0.09 0.00 -0.74 0.00 0.00 36.82 36.14 1dgq h ILE 306 CO 0.02 0.16 0.61 0.22 0.00 0.00 0.00 178.15 179.16 1dgq h TYR 307 N 0.86 0.86 -0.78 1.37 3.20 -0.32 0.18 116.97 122.35 1dgq h TYR 307 Ca 0.53 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.39 1dgq h TYR 307 Cb 0.68 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 1dgq h TYR 307 CO -0.01 0.21 0.35 0.28 -1.64 0.00 0.00 178.16 177.35 1dgq h VAL 308 N 0.64 1.25 -0.40 1.81 2.07 -0.79 0.37 116.25 121.21 1dgq h VAL 308 Ca 0.53 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 1dgq h VAL 308 Cb 0.99 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1dgq h VAL 308 CO -0.29 0.31 -0.03 0.40 0.02 0.00 0.00 177.57 177.98 1dgq h ILE 309 N 1.11 1.27 0.00 4.57 1.08 -0.72 0.13 117.51 124.96 1dgq h ILE 309 Ca 0.27 -1.06 -0.03 0.00 -0.39 0.00 0.00 64.86 63.65 1dgq h ILE 309 Cb 0.16 1.16 -0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1dgq h ILE 309 CO -0.03 0.36 -0.14 -0.33 -0.69 0.00 0.00 178.15 177.32 1dgq h GLU 310 N 0.54 0.00 0.00 2.37 5.08 -0.51 -0.84 114.58 121.21 1dgq h GLU 310 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1dgq h GLU 310 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1dgq h GLU 310 CO 0.03 0.14 0.00 0.41 -1.00 0.00 0.00 179.01 178.59