#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 0.22 -1.01 3.17 0.00 -1.26 -4.12 121.76 118.76 1dgq s ALA 125 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 1dgq s ALA 125 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 1dgq s ALA 125 CO 0.00 -3.38 0.80 0.43 0.00 0.00 0.00 175.76 173.61 1dgq n SER 126 N -4.59 -6.16 0.29 0.00 7.64 -1.26 -4.67 113.62 104.87 1dgq n SER 126 Ca 0.05 -0.74 0.15 0.00 1.01 0.00 0.00 58.87 59.34 1dgq n SER 126 Cb 0.55 -4.14 0.89 0.00 -1.01 0.00 0.00 64.21 60.50 1dgq n SER 126 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1dgq h LYS 127 N -1.07 0.00 -3.70 1.43 1.79 -1.97 -2.81 116.57 110.24 1dgq h LYS 127 Ca -0.52 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.31 1dgq h LYS 127 Cb 1.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1dgq h LYS 127 CO 0.42 0.03 3.15 0.41 -1.08 0.00 0.00 179.45 182.38 1dgq n GLY 128 N -1.10 3.88 3.63 3.86 0.00 -1.26 -4.94 105.19 109.26 1dgq n GLY 128 Ca -0.03 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 1dgq n GLY 128 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dgq n ASN 129 N 5.32 0.32 -3.75 1.61 3.02 -1.06 -4.60 115.26 116.12 1dgq n ASN 129 Ca 0.59 0.53 -0.16 0.00 -0.03 0.00 0.00 54.58 55.51 1dgq n ASN 129 Cb 0.31 -1.44 -0.16 0.00 -0.61 0.00 0.00 39.78 37.88 1dgq n ASN 129 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dgq s VAL 130 N -2.21 -0.07 -0.69 2.41 1.01 0.04 -0.33 120.40 120.55 1dgq s VAL 130 Ca 0.70 0.25 -0.16 0.00 0.00 0.00 0.00 61.98 62.77 1dgq s VAL 130 Cb -0.28 -0.12 0.16 0.00 0.00 0.00 0.00 36.38 36.14 1dgq s VAL 130 CO 0.55 0.10 0.69 -1.81 0.00 0.00 0.00 175.10 174.63 1dgq s ASP 131 N 1.32 6.45 -0.54 3.32 1.01 0.52 -0.85 116.67 127.90 1dgq s ASP 131 Ca -0.06 -2.10 -0.15 0.00 0.71 0.00 0.00 52.55 50.95 1dgq s ASP 131 Cb -0.13 -2.24 0.13 0.00 1.01 0.00 0.00 42.92 41.69 1dgq s ASP 131 CO -0.04 -0.81 0.49 -0.22 0.21 0.00 0.00 175.17 174.80 1dgq s LEU 132 N 1.32 6.14 -0.10 1.23 0.20 0.07 -0.88 118.68 126.65 1dgq s LEU 132 Ca 0.13 -1.84 -0.24 0.00 0.69 0.00 0.00 54.13 52.87 1dgq s LEU 132 Cb -0.19 -2.18 -0.03 0.00 -0.43 0.00 0.00 46.19 43.36 1dgq s LEU 132 CO -0.02 -0.83 0.76 -0.69 -0.29 0.00 0.00 176.35 175.28 1dgq s VAL 133 N 1.52 4.98 -0.51 1.68 1.01 0.23 -2.48 120.40 126.84 1dgq s VAL 133 Ca 0.04 1.53 -0.19 0.00 0.00 0.00 0.00 61.98 63.36 1dgq s VAL 133 Cb -0.29 -4.08 0.06 0.00 0.00 0.00 0.00 36.38 32.06 1dgq s VAL 133 CO 0.02 0.17 0.64 -0.36 0.00 0.00 0.00 175.10 175.57 1dgq s PHE 134 N 1.30 3.04 -0.90 5.22 0.08 0.29 -0.18 117.98 126.82 1dgq s PHE 134 Ca 0.38 -0.51 -0.16 0.00 0.12 0.00 0.00 56.93 56.76 1dgq s PHE 134 Cb -0.18 -3.56 0.18 0.00 -0.57 0.00 0.00 43.02 38.89 1dgq s PHE 134 CO 0.17 -1.05 0.97 -1.17 -0.10 0.00 0.00 175.22 174.04 1dgq s LEU 135 N 2.69 5.93 -0.15 -0.37 2.96 0.18 -0.54 118.68 129.37 1dgq s LEU 135 Ca 0.16 -2.45 -0.05 0.00 -0.22 0.00 0.00 54.13 51.57 1dgq s LEU 135 Cb -0.19 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 1dgq s LEU 135 CO 0.12 -0.79 0.01 0.72 -1.32 0.00 0.00 176.35 175.10 1dgq s PHE 136 N 1.28 3.15 0.14 5.38 -0.71 -0.24 -0.73 117.98 126.26 1dgq s PHE 136 Ca 0.26 -0.04 -0.30 0.00 -1.04 0.00 0.00 56.93 55.81 1dgq s PHE 136 Cb -0.07 -1.98 -0.07 0.00 -1.21 0.00 0.00 43.02 39.69 1dgq s PHE 136 CO -0.09 0.15 1.07 0.34 -1.34 0.00 0.00 175.22 175.36 1dgq s ASP 137 N 0.10 7.30 -0.41 1.98 2.15 0.48 -0.65 116.67 127.64 1dgq s ASP 137 Ca 0.02 2.00 0.11 0.00 0.43 0.00 0.00 52.55 55.10 1dgq s ASP 137 Cb -0.13 -2.60 0.42 0.00 -0.30 0.00 0.00 42.92 40.31 1dgq s ASP 137 CO 0.02 -0.21 0.98 0.61 -0.17 0.00 0.00 175.17 176.40 1dgq n GLY 138 N 2.25 4.01 3.79 2.66 0.00 0.59 -4.87 105.19 113.62 1dgq n GLY 138 Ca 0.03 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 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 -3.24 4.35 0.56 1.61 1.04 -1.26 -0.45 113.70 116.31 1dgq s SER 139 Ca 0.39 1.36 0.29 0.00 0.48 0.00 0.00 55.95 58.47 1dgq s SER 139 Cb 0.40 -2.09 1.47 0.00 0.10 0.00 0.00 66.02 65.89 1dgq s SER 139 CO -0.09 -2.07 1.93 0.00 0.98 0.00 0.00 173.24 174.00 1dgq h MET 140 N -1.16 0.00 -0.97 4.02 -0.00 -1.23 0.60 114.93 116.19 1dgq h MET 140 Ca -0.47 0.00 0.19 0.00 -0.00 0.00 0.00 59.70 59.42 1dgq h MET 140 Cb 1.27 0.00 -0.09 0.00 -0.00 0.00 0.00 31.60 32.78 1dgq h MET 140 CO 0.58 0.00 0.61 0.77 -0.00 0.00 0.00 176.91 178.87 1dgq h SER 141 N 0.00 0.66 -3.01 -0.10 0.02 -1.92 -3.40 113.55 105.80 1dgq h SER 141 Ca 0.28 0.07 -0.57 0.00 -0.84 0.00 0.00 61.79 60.74 1dgq h SER 141 Cb 1.26 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.71 1dgq h SER 141 CO -0.00 0.26 0.95 -0.76 -1.14 0.00 0.00 176.83 176.13 1dgq s LEU 142 N -9.95 4.03 0.39 5.07 2.01 0.20 -5.03 118.68 115.40 1dgq s LEU 142 Ca -0.10 1.47 -0.07 0.00 0.01 0.00 0.00 54.13 55.44 1dgq s LEU 142 Cb 0.24 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 42.85 1dgq s LEU 142 CO 0.80 -0.94 0.71 -1.10 1.01 0.00 0.00 176.35 176.83 1dgq s GLN 143 N 3.87 3.66 0.18 1.70 -1.52 -1.26 -4.84 119.66 121.45 1dgq s GLN 143 Ca 0.56 0.23 -0.24 0.00 -1.95 0.00 0.00 55.36 53.97 1dgq s GLN 143 Cb -0.20 -2.47 0.08 0.00 -0.22 0.00 0.00 33.01 30.20 1dgq s GLN 143 CO 0.19 -0.01 1.57 -1.35 -0.25 0.00 0.00 175.29 175.45 1dgq h PRO 144 N 1.05 -0.19 -0.96 2.91 0.11 -1.97 0.09 132.00 133.04 1dgq h PRO 144 Ca -0.47 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.71 1dgq h PRO 144 Cb 1.19 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 1dgq h PRO 144 CO 0.64 -0.12 0.62 0.38 -0.21 0.00 0.00 178.00 179.31 1dgq h ASP 145 N -0.19 0.99 -0.05 -2.05 2.03 -1.98 0.18 116.42 115.34 1dgq h ASP 145 Ca 0.20 0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.50 1dgq h ASP 145 Cb 0.56 -0.20 -0.00 0.00 -0.83 0.00 0.00 39.33 38.85 1dgq h ASP 145 CO -0.70 0.63 -0.01 -0.33 -1.03 0.00 0.00 179.24 177.81 1dgq h GLU 146 N 1.12 0.09 -0.63 4.15 5.08 -1.44 -1.78 114.58 121.17 1dgq h GLU 146 Ca 0.41 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.76 1dgq h GLU 146 Cb 0.17 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1dgq h GLU 146 CO -0.16 0.40 0.41 0.35 -1.00 0.00 0.00 179.01 179.01 1dgq h PHE 147 N -0.24 0.77 -0.93 4.33 3.57 -0.57 -0.35 116.94 123.53 1dgq h PHE 147 Ca 0.01 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.63 1dgq h PHE 147 Cb 0.36 -0.26 -0.08 0.00 2.79 0.00 0.00 35.95 38.77 1dgq h PHE 147 CO 0.04 0.47 0.57 1.96 -2.23 0.00 0.00 178.31 179.12 1dgq h GLN 148 N 0.82 0.91 -0.55 1.11 1.08 -0.55 0.10 115.11 118.03 1dgq h GLN 148 Ca 0.24 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.29 1dgq h GLN 148 Cb -0.06 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.14 1dgq h GLN 148 CO -0.07 0.60 -0.04 0.87 -0.95 0.00 0.00 178.83 179.25 1dgq h LYS 149 N 0.94 0.98 -0.33 1.46 1.57 -0.27 0.21 116.57 121.13 1dgq h LYS 149 Ca 0.45 -0.32 0.06 0.00 -1.87 0.00 0.00 60.65 58.97 1dgq h LYS 149 Cb 0.39 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1dgq h LYS 149 CO -0.25 0.99 -0.02 0.82 -0.57 0.00 0.00 179.45 180.42 1dgq h ILE 150 N 0.89 0.73 -0.15 1.86 1.08 0.18 0.19 117.51 122.29 1dgq h ILE 150 Ca 0.15 -0.02 0.02 0.00 -0.39 0.00 0.00 64.86 64.62 1dgq h ILE 150 Cb 0.58 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 1dgq h ILE 150 CO 0.03 0.01 0.01 -0.07 -0.69 0.00 0.00 178.15 177.45 1dgq h LEU 151 N 0.07 -0.03 -0.51 1.44 3.38 -0.50 -2.77 115.31 116.39 1dgq h LEU 151 Ca 0.16 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.24 1dgq h LEU 151 Cb 0.22 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1dgq h LEU 151 CO -0.29 0.01 0.13 -0.78 0.09 0.00 0.00 178.44 177.61 1dgq h ASP 152 N 0.07 0.07 0.06 -0.43 3.58 -0.04 0.99 116.42 120.72 1dgq h ASP 152 Ca 0.07 0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.63 1dgq h ASP 152 Cb 0.08 0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.18 1dgq h ASP 152 CO -0.11 0.06 -0.34 0.15 -2.88 0.00 0.00 179.24 176.12 1dgq h PHE 153 N 0.28 -0.95 0.10 0.28 3.57 -0.80 0.28 116.94 119.70 1dgq h PHE 153 Ca 0.26 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.80 1dgq h PHE 153 Cb 0.33 0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1dgq h PHE 153 CO -0.20 -0.44 -0.17 0.52 -2.23 0.00 0.00 178.31 175.78 1dgq h MET 154 N -0.53 -0.33 -0.77 1.11 2.86 -1.12 -1.96 114.93 114.20 1dgq h MET 154 Ca 0.04 0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.88 1dgq h MET 154 Cb 0.59 0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.21 1dgq h MET 154 CO -0.24 -0.22 0.21 -0.22 1.06 0.00 0.00 176.91 177.50 1dgq h LYS 155 N -0.34 0.28 0.56 1.72 3.64 -0.58 0.00 116.57 121.86 1dgq h LYS 155 Ca 0.02 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1dgq h LYS 155 Cb 0.36 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1dgq h LYS 155 CO -0.09 0.19 -0.31 -0.44 -2.27 0.00 0.00 179.45 176.52 1dgq h ASP 156 N 0.29 -0.76 -0.41 4.20 3.32 0.26 0.13 116.42 123.45 1dgq h ASP 156 Ca 0.44 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.61 1dgq h ASP 156 Cb 0.77 0.22 -0.07 0.00 0.22 0.00 0.00 39.33 40.47 1dgq h ASP 156 CO -0.52 -0.50 -0.05 0.58 -1.72 0.00 0.00 179.24 177.03 1dgq h VAL 157 N -0.81 0.64 -0.14 -1.35 2.07 -0.67 -0.01 116.25 115.98 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 0.65 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1dgq h VAL 157 CO 0.09 0.01 0.02 0.24 0.02 0.00 0.00 177.57 177.95 1dgq h MET 158 N 0.05 0.08 0.30 1.57 2.86 -0.75 0.16 114.93 119.20 1dgq h MET 158 Ca 0.20 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1dgq h MET 158 Cb 0.30 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1dgq h MET 158 CO -0.38 0.05 -0.38 0.87 1.06 0.00 0.00 176.91 178.13 1dgq h LYS 159 N 0.08 -0.71 -0.79 1.72 1.79 -0.12 -0.16 116.57 118.37 1dgq h LYS 159 Ca 0.06 0.05 0.09 0.00 -2.18 0.00 0.00 60.65 58.67 1dgq h LYS 159 Cb 0.06 0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 30.80 1dgq h LYS 159 CO -0.09 -0.47 0.44 0.87 -1.08 0.00 0.00 179.45 179.12 1dgq h LYS 160 N -0.74 0.72 -1.06 3.15 6.56 -0.79 -2.30 116.57 122.12 1dgq h LYS 160 Ca -0.01 -0.04 -0.65 0.00 -1.06 0.00 0.00 60.65 58.88 1dgq h LYS 160 Cb 0.69 -0.16 -0.33 0.00 -0.57 0.00 0.00 32.23 31.85 1dgq h LYS 160 CO -0.11 0.48 0.35 1.28 -2.06 0.00 0.00 179.45 179.39 1dgq n LEU 161 N -4.77 6.78 -3.97 2.94 4.77 0.02 -4.93 117.00 117.85 1dgq n LEU 161 Ca 0.13 -4.52 -0.39 0.00 -0.03 0.00 0.00 56.01 51.20 1dgq n LEU 161 Cb 0.27 -0.79 -0.05 0.00 -2.33 0.00 0.00 43.42 40.52 1dgq n LEU 161 CO 0.27 1.72 1.96 -1.20 -1.33 0.00 0.00 177.39 178.80 1dgq n SER 162 N -0.80 2.90 -3.55 -1.43 7.64 -0.09 -4.63 113.62 113.66 1dgq n SER 162 Ca 0.56 -2.71 -0.17 0.00 1.01 0.00 0.00 58.87 57.55 1dgq n SER 162 Cb 0.70 -1.37 -0.06 0.00 -1.01 0.00 0.00 64.21 62.47 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 5.29 -0.62 0.42 6.43 2.47 -1.26 -5.05 114.94 122.62 1dgq s ASN 163 Ca 0.60 0.68 0.28 0.00 0.42 0.00 0.00 52.86 54.84 1dgq s ASN 163 Cb 0.09 0.54 1.43 0.00 -1.45 0.00 0.00 41.25 41.87 1dgq s ASN 163 CO 0.11 -0.58 1.59 0.74 -3.72 0.00 0.00 177.10 175.24 1dgq h THR 164 N 3.11 0.04 -0.72 -5.21 2.02 -1.96 -1.45 112.91 108.73 1dgq h THR 164 Ca -0.27 -0.01 0.16 0.00 0.77 0.00 0.00 66.41 67.06 1dgq h THR 164 Cb 1.14 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.44 1dgq h THR 164 CO 0.38 0.01 0.11 0.28 0.37 0.00 0.00 175.52 176.67 1dgq h SER 165 N 0.03 -0.12 -3.22 4.18 0.02 -1.90 -3.08 113.55 109.46 1dgq h SER 165 Ca 0.86 0.16 -0.74 0.00 -0.84 0.00 0.00 61.79 61.23 1dgq h SER 165 Cb 2.60 0.25 -0.27 0.00 0.14 0.00 0.00 62.40 65.12 1dgq h SER 165 CO -0.54 -0.09 -0.32 -0.31 -1.14 0.00 0.00 176.83 174.42 1dgq s TYR 166 N -6.07 3.34 -0.12 3.45 1.51 -0.54 -0.78 117.35 118.13 1dgq s TYR 166 Ca -0.13 -1.56 -0.07 0.00 -1.01 0.00 0.00 57.07 54.29 1dgq s TYR 166 Cb 0.21 -3.57 -0.04 0.00 -0.11 0.00 0.00 41.96 38.45 1dgq s TYR 166 CO 0.75 -0.99 0.15 1.14 -1.11 0.00 0.00 175.55 175.49 1dgq s GLN 167 N 1.48 3.50 0.22 -0.62 0.00 -0.03 -4.47 119.66 119.74 1dgq s GLN 167 Ca 0.04 -0.12 0.11 0.00 -0.00 0.00 0.00 55.36 55.39 1dgq s GLN 167 Cb -0.27 -3.21 -0.05 0.00 0.00 0.00 0.00 33.01 29.48 1dgq s GLN 167 CO 0.01 0.75 -0.19 -0.06 0.00 0.00 0.00 175.29 175.80 1dgq s PHE 168 N -0.94 2.38 0.06 9.60 0.40 -1.26 -0.75 117.98 127.47 1dgq s PHE 168 Ca 0.15 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 1dgq s PHE 168 Cb -0.12 -1.13 -0.04 0.00 0.51 0.00 0.00 43.02 42.25 1dgq s PHE 168 CO 0.04 0.57 -0.04 0.00 0.70 0.00 0.00 175.22 176.49 1dgq s ALA 169 N -1.95 0.55 -0.03 5.36 0.00 -1.03 -3.21 121.76 121.45 1dgq s ALA 169 Ca 0.25 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1dgq s ALA 169 Cb -0.07 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.28 1dgq s ALA 169 CO 0.13 -0.27 0.01 0.00 0.00 0.00 0.00 175.76 175.63 1dgq s ALA 170 N -3.18 0.25 -0.26 0.00 0.00 0.12 -0.55 121.76 118.14 1dgq s ALA 170 Ca 0.02 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 1dgq s ALA 170 Cb 0.02 -0.33 0.04 0.00 0.00 0.00 0.00 23.12 22.85 1dgq s ALA 170 CO -0.06 -0.12 -0.06 0.08 0.00 0.00 0.00 175.76 175.60 1dgq s VAL 171 N 1.13 2.75 0.27 0.00 1.01 0.30 -0.20 120.40 125.66 1dgq s VAL 171 Ca -0.08 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 1dgq s VAL 171 Cb -0.13 -2.46 -0.09 0.00 0.00 0.00 0.00 36.38 33.69 1dgq s VAL 171 CO -0.02 0.11 1.10 -1.58 0.00 0.00 0.00 175.10 174.71 1dgq s GLN 172 N 1.27 4.64 0.07 2.72 0.74 0.18 -1.08 119.66 128.21 1dgq s GLN 172 Ca -0.02 1.79 0.03 0.00 0.05 0.00 0.00 55.36 57.21 1dgq s GLN 172 Cb -0.18 -3.20 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 1dgq s GLN 172 CO -0.04 0.20 -0.10 -0.59 -0.55 0.00 0.00 175.29 174.21 1dgq s PHE 173 N -1.06 0.96 0.00 1.67 -0.71 0.18 -0.20 117.98 118.82 1dgq s PHE 173 Ca 0.45 -0.58 0.00 0.00 -1.04 0.00 0.00 56.93 55.76 1dgq s PHE 173 Cb -0.32 -0.54 0.00 0.00 -1.21 0.00 0.00 43.02 40.95 1dgq s PHE 173 CO 0.40 -0.02 0.00 0.45 -1.34 0.00 0.00 175.22 174.71 1dgq n SER 174 N 0.97 0.00 -0.32 1.98 2.88 -1.26 -0.30 113.62 117.58 1dgq n SER 174 Ca -0.19 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.40 1dgq n SER 174 Cb 0.56 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.23 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 0.87 -2.52 2.46 2.02 -1.81 0.15 112.91 114.08 1dgq h THR 175 Ca 0.00 -0.28 -0.57 0.00 0.77 0.00 0.00 66.41 66.33 1dgq h THR 175 Cb 0.00 -0.03 -0.09 0.00 -1.74 0.00 0.00 68.15 66.28 1dgq h THR 175 CO 0.00 0.15 -0.63 -0.44 0.37 0.00 0.00 175.52 174.97 1dgq s SER 176 N -5.59 4.82 0.18 4.18 0.01 -1.26 -4.47 113.70 111.57 1dgq s SER 176 Ca -0.12 -0.46 -0.05 0.00 1.31 0.00 0.00 55.95 56.63 1dgq s SER 176 Cb 0.21 -1.02 -0.06 0.00 0.21 0.00 0.00 66.02 65.36 1dgq s SER 176 CO 0.79 0.04 0.43 -0.72 0.41 0.00 0.00 173.24 174.18 1dgq s TYR 177 N -2.01 3.47 -0.25 2.43 -0.85 -1.26 -4.41 117.35 114.47 1dgq s TYR 177 Ca 0.30 0.58 -0.02 0.00 -0.52 0.00 0.00 57.07 57.41 1dgq s TYR 177 Cb -0.08 -2.03 0.12 0.00 0.38 0.00 0.00 41.96 40.35 1dgq s TYR 177 CO 0.20 0.37 0.29 0.21 -1.52 0.00 0.00 175.55 175.10 1dgq s LYS 178 N -2.89 0.28 -0.25 -3.49 2.20 0.72 -4.98 119.74 111.34 1dgq s LYS 178 Ca 0.42 0.16 -0.28 0.00 -0.36 0.00 0.00 55.97 55.91 1dgq s LYS 178 Cb -0.12 -0.81 -0.05 0.00 -1.51 0.00 0.00 37.83 35.34 1dgq s LYS 178 CO 0.25 -0.79 2.24 2.41 -0.36 0.00 0.00 175.35 179.10 1dgq n THR 179 N 5.33 0.30 -0.03 3.43 -1.04 -1.26 -0.64 114.28 120.36 1dgq n THR 179 Ca -0.04 -0.49 -0.15 0.00 -2.04 0.00 0.00 64.05 61.34 1dgq n THR 179 Cb 0.49 -2.56 -0.09 0.00 -1.82 0.00 0.00 70.33 66.34 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 15.40 0.33 -2.75 -2.82 4.39 -0.94 -3.48 114.58 124.71 1dgq h GLU 180 Ca -0.39 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.01 1dgq h GLU 180 Cb 1.25 0.06 -0.14 0.00 -0.10 0.00 0.00 28.75 29.81 1dgq h GLU 180 CO 0.98 0.92 0.19 -0.59 -1.16 0.00 0.00 179.01 179.34 1dgq s PHE 181 N -3.60 -0.55 0.55 4.33 -0.12 -1.00 -4.85 117.98 112.73 1dgq s PHE 181 Ca -0.14 0.52 0.03 0.00 -0.05 0.00 0.00 56.93 57.29 1dgq s PHE 181 Cb 0.03 0.50 0.03 0.00 -0.63 0.00 0.00 43.02 42.95 1dgq s PHE 181 CO 0.77 -0.77 0.25 -0.40 -0.05 0.00 0.00 175.22 175.02 1dgq n ASP 182 N -0.01 3.07 0.04 1.98 5.68 -1.26 -0.71 116.55 125.34 1dgq n ASP 182 Ca -0.18 -3.08 -0.12 0.00 -0.50 0.00 0.00 54.79 50.92 1dgq n ASP 182 Cb 0.63 0.13 -0.06 0.00 -1.14 0.00 0.00 41.12 40.67 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 0.92 -0.10 -0.89 2.11 0.04 -1.47 -0.86 116.94 116.68 1dgq h PHE 183 Ca -0.39 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.50 1dgq h PHE 183 Cb 1.30 0.04 -0.08 0.00 2.20 0.00 0.00 35.95 39.42 1dgq h PHE 183 CO 0.00 -0.06 0.52 0.66 -0.60 0.00 0.00 178.31 178.83 1dgq h SER 184 N -0.07 0.73 0.25 2.17 4.64 -1.27 0.17 113.55 120.17 1dgq h SER 184 Ca 0.02 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1dgq h SER 184 Cb 0.09 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1dgq h SER 184 CO -0.04 0.38 -0.25 0.44 -0.87 0.00 0.00 176.83 176.49 1dgq h ASP 185 N 0.82 -0.67 -0.34 4.97 3.32 -1.67 0.12 116.42 122.97 1dgq h ASP 185 Ca 0.45 0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.63 1dgq h ASP 185 Cb 0.48 0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.19 1dgq h ASP 185 CO -0.28 -0.37 -0.10 0.22 -1.72 0.00 0.00 179.24 177.00 1dgq h TYR 186 N -0.54 -0.21 -0.83 4.55 3.20 -0.18 0.73 116.97 123.70 1dgq h TYR 186 Ca -0.01 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.95 1dgq h TYR 186 Cb 0.49 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.86 1dgq h TYR 186 CO -0.17 -0.16 0.52 0.28 -1.64 0.00 0.00 178.16 176.99 1dgq h VAL 187 N -0.02 1.07 0.49 1.81 2.07 -0.41 0.25 116.25 121.52 1dgq h VAL 187 Ca 0.17 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1dgq h VAL 187 Cb 0.27 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1dgq h VAL 187 CO -0.36 0.18 -0.23 0.50 0.02 0.00 0.00 177.57 177.67 1dgq h LYS 188 N 0.97 -0.63 0.12 1.57 3.64 -0.14 -3.39 116.57 118.71 1dgq h LYS 188 Ca 0.35 0.04 -0.32 0.00 -1.27 0.00 0.00 60.65 59.45 1dgq h LYS 188 Cb 0.11 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1dgq h LYS 188 CO -0.15 -0.34 -1.67 -1.49 -2.27 0.00 0.00 179.45 173.53 1dgq h TRP 189 N -1.05 0.45 -5.26 1.91 4.06 -0.76 -3.48 115.95 111.82 1dgq h TRP 189 Ca -0.07 -0.33 -0.35 0.00 2.06 0.00 0.00 58.89 60.20 1dgq h TRP 189 Cb 0.59 -0.02 -0.07 0.00 -1.00 0.00 0.00 29.16 28.66 1dgq h TRP 189 CO 0.01 1.46 -0.52 1.63 -3.56 0.00 0.00 178.44 177.47 1dgq n LYS 190 N -3.43 -3.22 -3.57 0.49 4.76 0.88 -4.95 118.16 109.11 1dgq n LYS 190 Ca -0.21 0.47 -0.23 0.00 -2.87 0.00 0.00 58.31 55.47 1dgq n LYS 190 Cb 1.05 -5.16 -0.16 0.00 -1.84 0.00 0.00 35.03 28.92 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 -2.63 2.01 0.21 4.39 -1.08 -1.26 -5.05 116.67 113.26 1dgq s ASP 191 Ca 0.35 -0.48 -0.12 0.00 -0.52 0.00 0.00 52.55 51.78 1dgq s ASP 191 Cb -0.18 -0.02 0.27 0.00 -1.46 0.00 0.00 42.92 41.53 1dgq s ASP 191 CO 0.43 -0.34 1.65 -0.65 0.52 0.00 0.00 175.17 176.77 1dgq h PRO 192 N 8.38 0.07 -0.27 4.34 0.11 -1.93 -1.05 132.00 141.65 1dgq h PRO 192 Ca -0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1dgq h PRO 192 Cb 1.15 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1dgq h PRO 192 CO 0.29 0.05 0.18 -0.44 -0.21 0.00 0.00 178.00 177.86 1dgq h ASP 193 N 0.07 0.32 -0.92 -2.05 5.19 -1.96 0.31 116.42 117.37 1dgq h ASP 193 Ca 0.31 -0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.73 1dgq h ASP 193 Cb 0.50 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 39.88 1dgq h ASP 193 CO -0.56 0.24 0.60 0.00 -3.12 0.00 0.00 179.24 176.40 1dgq h ALA 194 N 1.09 1.20 -0.25 3.45 0.00 -1.82 0.50 119.26 123.43 1dgq h ALA 194 Ca 0.10 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1dgq h ALA 194 Cb -0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 1dgq h ALA 194 CO -0.02 0.51 -0.52 -0.07 0.00 0.00 0.00 179.25 179.15 1dgq h LEU 195 N 1.20 0.79 0.00 0.00 3.38 -0.57 -3.32 115.31 116.79 1dgq h LEU 195 Ca 0.36 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1dgq h LEU 195 Cb -0.06 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1dgq h LEU 195 CO -0.10 1.16 -0.68 0.18 0.09 0.00 0.00 178.44 179.10 1dgq n LEU 196 N -3.99 0.65 -0.16 1.67 4.77 0.10 -4.13 117.00 115.91 1dgq n LEU 196 Ca -0.03 0.15 0.28 0.00 -0.03 0.00 0.00 56.01 56.38 1dgq n LEU 196 Cb 0.60 -0.18 0.72 0.00 -2.33 0.00 0.00 43.42 42.23 1dgq n LEU 196 CO 0.48 -0.01 1.26 0.07 -1.33 0.00 0.00 177.39 177.87 1dgq h LYS 197 N 0.00 0.00 0.00 3.23 2.10 -1.02 -0.25 116.57 120.63 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 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 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 -4.12 0.74 -1.91 0.07 -0.00 -1.26 -4.71 115.22 104.03 1dgq n HIS 198 Ca 0.18 0.33 -0.23 0.00 0.46 0.00 0.00 57.72 58.46 1dgq n HIS 198 Cb 0.98 -1.04 -0.06 0.00 -0.12 0.00 0.00 29.99 29.75 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 -3.41 3.32 -0.51 3.57 1.01 -0.11 -4.90 120.40 119.37 1dgq s VAL 199 Ca 0.01 -0.27 -0.21 0.00 0.00 0.00 0.00 61.98 61.51 1dgq s VAL 199 Cb 0.08 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.78 1dgq s VAL 199 CO 0.29 -0.69 0.74 -0.54 0.00 0.00 0.00 175.10 174.90 1dgq s LYS 200 N 7.54 3.22 -0.01 2.72 1.02 -1.26 -5.02 119.74 127.94 1dgq s LYS 200 Ca 0.76 -0.60 -0.30 0.00 0.02 0.00 0.00 55.97 55.86 1dgq s LYS 200 Cb -0.08 -4.06 -0.07 0.00 -0.52 0.00 0.00 37.83 33.09 1dgq s LYS 200 CO 0.02 -1.29 1.88 -1.58 -0.92 0.00 0.00 175.35 173.46 1dgq s HIS 201 N 3.12 1.50 -0.03 3.18 2.46 -1.26 -4.92 115.29 119.34 1dgq s HIS 201 Ca 0.22 -0.18 -0.26 0.00 0.47 0.00 0.00 55.06 55.31 1dgq s HIS 201 Cb -0.16 -4.13 -0.20 0.00 -0.13 0.00 0.00 32.58 27.96 1dgq s HIS 201 CO 0.15 -4.91 1.20 0.52 -2.47 0.00 0.00 174.74 169.24 1dgq h MET 202 N 10.58 -0.05 -5.04 2.88 2.86 -1.95 -3.49 114.93 120.73 1dgq h MET 202 Ca -0.46 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 56.92 1dgq h MET 202 Cb 1.22 0.01 0.15 0.00 0.06 0.00 0.00 31.60 33.03 1dgq h MET 202 CO 0.95 0.44 -0.65 1.28 1.06 0.00 0.00 176.91 179.99 1dgq n LEU 203 N -4.87 -3.94 0.00 1.22 4.77 0.40 -4.92 117.00 109.66 1dgq n LEU 203 Ca -0.09 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1dgq n LEU 203 Cb 0.26 -2.70 0.00 0.00 -2.33 0.00 0.00 43.42 38.65 1dgq n LEU 203 CO 0.32 0.27 0.00 0.18 -1.33 0.00 0.00 177.39 176.84 1dgq n LEU 204 N -3.48 0.00 0.00 2.23 4.77 -1.25 -3.89 117.00 115.38 1dgq n LEU 204 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1dgq n LEU 204 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1dgq n LEU 204 CO 0.50 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.74 1dgq n LEU 205 N 0.00 0.00 -3.18 2.23 4.77 -1.26 -1.12 117.00 118.44 1dgq n LEU 205 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 1dgq n LEU 205 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1dgq n LEU 205 CO 0.00 0.00 -0.22 0.41 -1.33 0.00 0.00 177.39 176.25 1dgq n THR 206 N 0.00 -0.75 -1.58 -5.08 -1.04 -1.25 -2.86 114.28 101.72 1dgq n THR 206 Ca 0.00 -3.31 -0.40 0.00 -2.04 0.00 0.00 64.05 58.30 1dgq n THR 206 Cb 0.00 -1.26 -0.02 0.00 -1.82 0.00 0.00 70.33 67.24 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 2.04 7.16 -0.18 8.00 5.15 0.51 -0.30 115.26 137.63 1dgq n ASN 207 Ca 0.23 -2.75 -0.07 0.00 -0.60 0.00 0.00 54.58 51.38 1dgq n ASN 207 Cb 0.53 -1.55 0.03 0.00 -0.53 0.00 0.00 39.78 38.25 1dgq n ASN 207 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1dgq h THR 208 N 3.26 1.15 0.04 -0.44 2.02 -1.90 -0.16 112.91 116.87 1dgq h THR 208 Ca 0.74 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.63 1dgq h THR 208 Cb 0.40 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1dgq h THR 208 CO 1.76 0.15 -0.02 -0.26 0.37 0.00 0.00 175.52 177.52 1dgq h PHE 209 N 0.73 -0.04 -0.92 3.16 -1.00 -1.87 0.30 116.94 117.30 1dgq h PHE 209 Ca 0.20 -0.00 0.05 0.00 2.81 0.00 0.00 57.97 61.02 1dgq h PHE 209 Cb -0.06 0.01 -0.06 0.00 3.61 0.00 0.00 35.95 39.46 1dgq h PHE 209 CO -0.03 0.27 0.59 0.78 -1.61 0.00 0.00 178.31 178.31 1dgq h GLY 210 N -0.36 1.36 1.33 -1.45 0.00 -1.79 -0.26 103.07 101.89 1dgq h GLY 210 Ca -0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 46.77 1dgq h GLY 210 CO 0.01 0.34 -0.21 0.00 0.00 0.00 0.00 176.54 176.68 1dgq h ALA 211 N 1.40 0.89 -0.04 3.60 0.00 -0.65 0.10 119.26 124.56 1dgq h ALA 211 Ca 0.38 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1dgq h ALA 211 Cb 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1dgq h ALA 211 CO -0.14 0.63 0.02 0.82 0.00 0.00 0.00 179.25 180.57 1dgq h ILE 212 N 0.68 1.06 -0.47 0.00 2.04 0.24 0.61 117.51 121.67 1dgq h ILE 212 Ca 0.10 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1dgq h ILE 212 Cb 0.72 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1dgq h ILE 212 CO 0.06 0.05 0.27 0.78 0.00 0.00 0.00 178.15 179.31 1dgq h ASN 213 N -0.02 0.42 0.05 1.72 2.35 -0.79 0.60 115.58 119.92 1dgq h ASN 213 Ca 0.01 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1dgq h ASN 213 Cb 0.07 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 1dgq h ASN 213 CO -0.00 0.30 -0.36 0.22 -1.65 0.00 0.00 177.43 175.94 1dgq h TYR 214 N 0.54 -1.00 -0.24 1.19 3.20 -0.60 -2.36 116.97 117.70 1dgq h TYR 214 Ca 0.20 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.16 1dgq h TYR 214 Cb 0.05 0.43 -0.07 0.00 1.54 0.00 0.00 36.73 38.68 1dgq h TYR 214 CO -0.08 -0.45 -0.23 0.28 -1.64 0.00 0.00 178.16 176.03 1dgq h VAL 215 N -0.55 0.40 -0.80 1.81 2.07 -0.52 0.36 116.25 119.02 1dgq h VAL 215 Ca 0.04 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.75 1dgq h VAL 215 Cb 0.61 0.40 -0.12 0.00 -1.52 0.00 0.00 31.29 30.66 1dgq h VAL 215 CO -0.26 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.58 1dgq h ALA 216 N 0.81 1.12 0.00 1.67 0.00 -0.49 -0.24 119.26 122.14 1dgq h ALA 216 Ca 0.14 0.17 -0.37 0.00 0.00 0.00 0.00 54.91 54.85 1dgq h ALA 216 Cb 0.45 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1dgq h ALA 216 CO -0.38 -0.34 -2.31 0.25 0.00 0.00 0.00 179.25 176.46 1dgq n THR 217 N -5.13 1.30 0.01 0.00 -2.24 -0.93 -4.30 114.28 103.00 1dgq n THR 217 Ca 0.17 -0.42 0.01 0.00 -2.27 0.00 0.00 64.05 61.54 1dgq n THR 217 Cb 0.54 -1.54 -0.10 0.00 -2.10 0.00 0.00 70.33 67.13 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 -3.58 0.64 -0.10 -0.78 -0.58 0.12 -4.58 120.64 111.78 1dgq n GLU 218 Ca -0.43 0.12 -0.19 0.00 -0.42 0.00 0.00 57.16 56.24 1dgq n GLU 218 Cb 0.88 -1.72 -0.07 0.00 -0.57 0.00 0.00 31.44 29.95 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 -2.76 1.07 -1.38 2.62 0.31 -0.75 -4.69 118.33 112.75 1dgq n VAL 219 Ca -0.11 -0.31 -0.41 0.00 -0.01 0.00 0.00 64.34 63.49 1dgq n VAL 219 Cb 0.82 -1.58 -0.05 0.00 -0.91 0.00 0.00 33.84 32.12 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 -3.63 2.21 -4.64 3.52 3.72 -0.17 -4.73 117.46 113.73 1dgq n PHE 220 Ca -0.37 -1.87 -0.25 0.00 -0.05 0.00 0.00 57.45 54.91 1dgq n PHE 220 Cb 0.80 -1.94 -0.16 0.00 -0.94 0.00 0.00 39.48 37.23 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 5.07 1.66 0.28 -1.08 0.52 -1.26 -4.79 118.95 119.35 1dgq s ARG 221 Ca 0.58 -0.46 0.02 0.00 -0.52 0.00 0.00 55.73 55.35 1dgq s ARG 221 Cb 0.12 -1.40 0.63 0.00 0.52 0.00 0.00 34.95 34.82 1dgq s ARG 221 CO 0.10 0.10 1.78 0.93 0.02 0.00 0.00 175.30 178.23 1dgq h GLU 222 N 6.69 0.72 -0.95 3.54 5.08 -1.88 0.21 114.58 127.99 1dgq h GLU 222 Ca -0.31 -0.04 0.27 0.00 -1.00 0.00 0.00 59.36 58.27 1dgq h GLU 222 Cb 1.18 -0.16 -0.17 0.00 0.50 0.00 0.00 28.75 30.10 1dgq h GLU 222 CO 0.48 0.48 0.09 1.49 -1.00 0.00 0.00 179.01 180.55 1dgq h GLU 223 N 0.74 0.05 -0.62 2.33 4.81 -1.95 0.17 114.58 120.10 1dgq h GLU 223 Ca 0.52 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1dgq h GLU 223 Cb 0.74 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1dgq h GLU 223 CO -0.36 0.03 0.00 1.28 -0.73 0.00 0.00 179.01 179.23 1dgq n LEU 224 N -5.42 5.30 0.00 1.64 4.77 0.50 -4.90 117.00 118.89 1dgq n LEU 224 Ca 0.23 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.52 1dgq n LEU 224 Cb 0.76 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1dgq n LEU 224 CO -0.03 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1dgq n GLY 225 N 0.60 0.46 3.56 -0.72 0.00 0.58 -0.91 105.19 108.76 1dgq n GLY 225 Ca 0.25 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 2.38 0.38 4.61 0.00 0.23 -4.59 121.76 122.77 1dgq s ALA 226 Ca 0.00 -1.85 -0.28 0.00 0.00 0.00 0.00 51.96 49.84 1dgq s ALA 226 Cb 0.00 -4.49 -0.11 0.00 0.00 0.00 0.00 23.12 18.52 1dgq s ALA 226 CO 0.00 -3.94 1.47 1.03 0.00 0.00 0.00 175.76 174.32 1dgq s ARG 227 N 5.77 4.09 0.13 0.00 0.52 -1.26 -3.33 118.95 124.86 1dgq s ARG 227 Ca 0.53 2.53 -0.15 0.00 -0.52 0.00 0.00 55.73 58.11 1dgq s ARG 227 Cb -0.04 -2.95 -0.01 0.00 0.52 0.00 0.00 34.95 32.47 1dgq s ARG 227 CO -0.03 -0.53 1.62 -1.00 0.02 0.00 0.00 175.30 175.39 1dgq h PRO 228 N 2.97 0.64 -0.68 3.54 0.13 -1.99 -3.01 132.00 133.61 1dgq h PRO 228 Ca -0.51 -0.16 -0.05 0.00 -0.87 0.00 0.00 66.00 64.41 1dgq h PRO 228 Cb 1.24 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1dgq h PRO 228 CO 0.64 0.68 0.22 -0.44 -0.23 0.00 0.00 178.00 178.86 1dgq h ASP 229 N 0.50 0.98 -2.36 1.44 3.32 -1.97 -3.43 116.42 114.91 1dgq h ASP 229 Ca 0.12 -0.21 -0.54 0.00 0.02 0.00 0.00 57.03 56.43 1dgq h ASP 229 Cb 0.33 -0.26 0.02 0.00 0.22 0.00 0.00 39.33 39.65 1dgq h ASP 229 CO 0.00 0.92 1.20 0.00 -1.72 0.00 0.00 179.24 179.65 1dgq n ALA 230 N -2.42 1.67 -1.65 3.45 0.00 -1.14 -4.69 120.51 115.73 1dgq n ALA 230 Ca 0.05 0.24 -0.50 0.00 0.00 0.00 0.00 53.44 53.23 1dgq n ALA 230 Cb 0.22 -2.65 -0.05 0.00 0.00 0.00 0.00 19.45 16.96 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 5.33 0.12 -1.89 0.00 -1.04 0.56 -4.03 114.28 113.33 1dgq n THR 231 Ca 0.20 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.05 61.81 1dgq n THR 231 Cb 0.39 -1.31 -0.04 0.00 -1.82 0.00 0.00 70.33 67.56 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 3.83 2.15 -3.71 -2.82 4.76 -1.26 -0.35 118.16 120.76 1dgq n LYS 232 Ca 0.19 -2.52 -0.35 0.00 -2.87 0.00 0.00 58.31 52.77 1dgq n LYS 232 Cb 0.24 -3.39 -0.08 0.00 -1.84 0.00 0.00 35.03 29.96 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 6.55 5.40 -0.38 -0.18 1.01 -0.06 -0.69 120.40 132.04 1dgq s VAL 233 Ca 0.59 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.79 1dgq s VAL 233 Cb 0.07 -3.48 0.11 0.00 0.00 0.00 0.00 36.38 33.08 1dgq s VAL 233 CO 0.08 0.42 0.12 -0.22 0.00 0.00 0.00 175.10 175.50 1dgq s LEU 234 N 0.50 3.98 -0.60 3.92 2.96 0.46 -0.60 118.68 129.31 1dgq s LEU 234 Ca 0.08 -2.28 -0.22 0.00 -0.22 0.00 0.00 54.13 51.49 1dgq s LEU 234 Cb -0.12 -1.43 0.07 0.00 0.50 0.00 0.00 46.19 45.21 1dgq s LEU 234 CO -0.01 -0.35 0.87 -0.63 -1.32 0.00 0.00 176.35 174.92 1dgq s ILE 235 N 0.75 4.49 0.07 6.68 1.01 0.75 -0.69 121.20 134.25 1dgq s ILE 235 Ca 0.13 -0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 1dgq s ILE 235 Cb -0.21 -4.57 -0.05 0.00 0.01 0.00 0.00 42.46 37.65 1dgq s ILE 235 CO -0.09 -1.23 0.96 -0.63 0.00 0.00 0.00 174.94 173.95 1dgq s ILE 236 N 3.64 4.64 -0.21 2.92 1.01 0.66 -0.65 121.20 133.22 1dgq s ILE 236 Ca 0.22 2.05 0.01 0.00 0.00 0.00 0.00 60.65 62.93 1dgq s ILE 236 Cb -0.17 -4.31 0.05 0.00 0.01 0.00 0.00 42.46 38.03 1dgq s ILE 236 CO 0.12 0.26 -0.10 -0.63 0.00 0.00 0.00 174.94 174.60 1dgq s ILE 237 N 0.35 1.64 -0.04 2.92 1.01 0.09 -0.84 121.20 126.33 1dgq s ILE 237 Ca 0.48 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 1dgq s ILE 237 Cb -0.22 -1.74 0.02 0.00 0.01 0.00 0.00 42.46 40.53 1dgq s ILE 237 CO 0.29 0.12 0.28 0.28 0.00 0.00 0.00 174.94 175.91 1dgq s THR 238 N 1.39 0.04 -0.77 2.92 -1.32 -0.55 -0.39 115.64 116.97 1dgq s THR 238 Ca -0.02 -0.35 0.22 0.00 -1.21 0.00 0.00 61.69 60.33 1dgq s THR 238 Cb -0.17 -0.52 -0.19 0.00 -1.51 0.00 0.00 72.50 70.11 1dgq s THR 238 CO -0.08 -0.19 0.93 -0.90 -2.21 0.00 0.00 174.62 172.17 1dgq n ASP 239 N 1.84 0.71 -4.25 8.08 5.75 -1.26 -0.53 116.55 126.89 1dgq n ASP 239 Ca -0.19 -0.59 -0.18 0.00 -0.01 0.00 0.00 54.79 53.82 1dgq n ASP 239 Cb 0.57 1.01 -0.11 0.00 -1.03 0.00 0.00 41.12 41.56 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 -3.37 1.12 0.81 6.12 0.00 -1.26 -2.55 107.32 108.18 1dgq s GLY 240 Ca 0.05 -1.33 -0.13 0.00 0.00 0.00 0.00 44.72 43.32 1dgq s GLY 240 CO 0.84 -1.38 1.19 -0.54 0.00 0.00 0.00 173.10 173.20 1dgq s GLU 241 N -2.72 1.65 -0.56 2.90 8.01 -1.26 -4.91 118.70 121.81 1dgq s GLU 241 Ca 0.10 1.69 -0.27 0.00 0.01 0.00 0.00 54.97 56.50 1dgq s GLU 241 Cb -0.05 -1.78 -0.03 0.00 -4.31 0.00 0.00 34.13 27.96 1dgq s GLU 241 CO 0.03 -2.19 1.94 0.00 0.01 0.00 0.00 175.26 175.05 1dgq s ALA 242 N -2.25 2.16 -0.10 5.21 0.00 -1.26 -4.67 121.76 120.85 1dgq s ALA 242 Ca 0.72 -0.45 0.29 0.00 0.00 0.00 0.00 51.96 52.52 1dgq s ALA 242 Cb -0.27 -4.28 1.32 0.00 0.00 0.00 0.00 23.12 19.89 1dgq s ALA 242 CO 0.51 -3.85 1.88 1.79 0.00 0.00 0.00 175.76 176.09 1dgq h THR 243 N 7.00 0.00 0.00 0.00 1.35 -1.01 -3.23 112.91 117.03 1dgq h THR 243 Ca -0.26 -0.27 -0.04 0.00 -0.55 0.00 0.00 66.41 65.29 1dgq h THR 243 Cb 1.18 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 1dgq h THR 243 CO 1.19 0.00 -0.56 -0.78 -0.25 0.00 0.00 175.52 175.12 1dgq h ASP 244 N 0.00 0.00 -6.15 5.36 3.58 -1.89 -3.49 116.42 113.84 1dgq h ASP 244 Ca 0.00 -0.10 -0.47 0.00 0.42 0.00 0.00 57.03 56.88 1dgq h ASP 244 Cb 0.32 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.32 1dgq h ASP 244 CO 0.00 0.85 -0.73 -1.20 -2.88 0.00 0.00 179.24 175.27 1dgq n SER 245 N -4.61 -4.62 0.00 2.28 7.64 -1.22 -4.96 113.62 108.14 1dgq n SER 245 Ca -0.10 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.05 1dgq n SER 245 Cb 0.30 -3.71 0.00 0.00 -1.01 0.00 0.00 64.21 59.80 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 -1.58 0.97 3.48 0.23 0.00 -1.26 -5.06 105.19 101.97 1dgq n GLY 246 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.18 -0.06 0.00 1.61 2.20 -1.26 -5.07 114.94 111.18 1dgq s ASN 247 Ca 0.00 -0.88 0.07 0.00 -0.94 0.00 0.00 52.86 51.11 1dgq s ASN 247 Cb 0.00 0.53 0.12 0.00 -2.00 0.00 0.00 41.25 39.90 1dgq s ASN 247 CO 0.00 -1.04 1.01 2.30 -2.94 0.00 0.00 177.10 176.43 1dgq n ILE 248 N -0.32 0.00 -0.30 0.54 -5.35 -1.26 -4.64 119.36 108.03 1dgq n ILE 248 Ca -0.04 -0.28 0.04 0.00 -0.27 0.00 0.00 62.75 62.20 1dgq n ILE 248 Cb 0.63 0.60 0.19 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 0.28 0.65 -1.37 7.28 3.58 -1.98 0.66 116.42 125.53 1dgq h ASP 249 Ca -0.09 0.06 0.40 0.00 0.42 0.00 0.00 57.03 57.82 1dgq h ASP 249 Cb 1.51 -0.06 -0.08 0.00 1.72 0.00 0.00 39.33 42.41 1dgq h ASP 249 CO 0.02 0.35 0.95 0.00 -2.88 0.00 0.00 179.24 177.67 1dgq h ALA 250 N 1.49 3.04 -0.40 -0.78 0.00 -1.96 -0.17 119.26 120.48 1dgq h ALA 250 Ca 0.42 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1dgq h ALA 250 Cb 0.45 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1dgq h ALA 250 CO -0.28 -1.51 0.00 0.00 0.00 0.00 0.00 179.25 177.46 1dgq n ALA 251 N -2.69 2.25 -0.30 0.00 0.00 0.21 -4.74 120.51 115.22 1dgq n ALA 251 Ca 0.32 -1.22 0.16 0.00 0.00 0.00 0.00 53.44 52.71 1dgq n ALA 251 Cb 1.40 -0.52 0.41 0.00 0.00 0.00 0.00 19.45 20.74 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 2.33 0.58 0.00 0.00 2.10 -0.82 0.94 116.57 121.71 1dgq h LYS 252 Ca 0.00 -0.03 -0.15 0.00 -2.00 0.00 0.00 60.65 58.46 1dgq h LYS 252 Cb 0.80 -0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 31.98 1dgq h LYS 252 CO 0.01 0.38 -0.72 0.22 -2.00 0.00 0.00 179.45 177.35 1dgq h ASP 253 N 0.60 0.00 -3.87 7.07 3.58 -1.85 -3.46 116.42 118.49 1dgq h ASP 253 Ca 0.52 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 57.49 1dgq h ASP 253 Cb 1.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.07 1dgq h ASP 253 CO -0.27 0.72 0.40 -0.63 -2.88 0.00 0.00 179.24 176.57 1dgq s ILE 254 N -3.13 3.87 -0.85 2.25 1.01 0.32 -4.96 121.20 119.72 1dgq s ILE 254 Ca 0.01 1.64 -0.25 0.00 0.00 0.00 0.00 60.65 62.04 1dgq s ILE 254 Cb 0.10 -3.95 0.04 0.00 0.01 0.00 0.00 42.46 38.67 1dgq s ILE 254 CO 0.77 0.21 1.33 -0.63 0.00 0.00 0.00 174.94 176.62 1dgq s ILE 255 N -1.45 3.83 -0.88 2.92 -1.09 0.13 -4.85 121.20 119.81 1dgq s ILE 255 Ca 0.50 -0.09 -0.25 0.00 -2.23 0.00 0.00 60.65 58.58 1dgq s ILE 255 Cb -0.24 -4.96 -0.01 0.00 -1.58 0.00 0.00 42.46 35.67 1dgq s ILE 255 CO 0.30 -1.87 1.73 -0.13 -1.23 0.00 0.00 174.94 173.75 1dgq s ARG 256 N 5.35 2.92 0.18 2.79 3.00 -1.26 -0.40 118.95 131.53 1dgq s ARG 256 Ca 0.39 -0.39 -0.23 0.00 0.00 0.00 0.00 55.73 55.49 1dgq s ARG 256 Cb -0.05 -4.97 -0.08 0.00 0.00 0.00 0.00 34.95 29.84 1dgq s ARG 256 CO 0.05 -2.84 0.74 -0.47 0.00 0.00 0.00 175.30 172.78 1dgq s TYR 257 N 8.10 3.80 -0.10 -0.53 6.14 0.14 -1.25 117.35 133.65 1dgq s TYR 257 Ca 0.60 1.52 -0.03 0.00 0.64 0.00 0.00 57.07 59.79 1dgq s TYR 257 Cb -0.06 -2.69 0.05 0.00 0.42 0.00 0.00 41.96 39.68 1dgq s TYR 257 CO 0.01 0.45 0.13 -1.50 0.64 0.00 0.00 175.55 175.28 1dgq s ILE 258 N -1.29 -0.20 -0.41 3.14 2.07 0.28 -0.24 121.20 124.56 1dgq s ILE 258 Ca 0.38 0.23 -0.22 0.00 -1.41 0.00 0.00 60.65 59.64 1dgq s ILE 258 Cb -0.20 -0.35 0.02 0.00 0.13 0.00 0.00 42.46 42.05 1dgq s ILE 258 CO 0.24 0.04 0.70 -0.63 -1.91 0.00 0.00 174.94 173.38 1dgq s ILE 259 N 2.24 4.78 -0.55 2.00 1.01 -0.02 -0.95 121.20 129.71 1dgq s ILE 259 Ca 0.04 0.44 -0.19 0.00 0.00 0.00 0.00 60.65 60.94 1dgq s ILE 259 Cb -0.13 -4.20 0.08 0.00 0.01 0.00 0.00 42.46 38.22 1dgq s ILE 259 CO -0.06 -0.53 0.64 -0.83 0.00 0.00 0.00 174.94 174.16 1dgq s GLY 260 N 1.96 1.80 0.21 6.18 0.00 0.24 -1.48 107.32 116.24 1dgq s GLY 260 Ca 0.26 -2.04 -0.30 0.00 0.00 0.00 0.00 44.72 42.64 1dgq s GLY 260 CO 0.19 1.49 1.30 -0.42 0.00 0.00 0.00 173.10 175.66 1dgq s ILE 261 N 2.55 3.18 0.00 0.90 -1.09 0.31 -0.42 121.20 126.63 1dgq s ILE 261 Ca 0.12 0.99 0.00 0.00 -2.23 0.00 0.00 60.65 59.53 1dgq s ILE 261 Cb -0.22 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1dgq s ILE 261 CO 0.08 0.16 1.23 0.61 -1.23 0.00 0.00 174.94 175.79 1dgq n GLY 262 N 2.22 1.92 0.05 6.18 0.00 0.10 -2.81 105.19 112.85 1dgq n GLY 262 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 1dgq n GLY 262 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dgq h LYS 263 N 0.83 0.00 0.06 1.61 1.79 -1.78 -3.33 116.57 115.75 1dgq h LYS 263 Ca 0.00 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.17 1dgq h LYS 263 Cb 0.85 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.47 1dgq h LYS 263 CO 0.00 0.00 -1.63 0.72 -1.08 0.00 0.00 179.45 177.46 1dgq n HIS 264 N -4.78 1.11 0.70 -1.35 8.25 -1.06 -4.42 115.22 113.67 1dgq n HIS 264 Ca -0.00 0.35 0.01 0.00 -0.26 0.00 0.00 57.72 57.82 1dgq n HIS 264 Cb 0.00 -1.13 0.06 0.00 1.12 0.00 0.00 29.99 30.04 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 -3.99 0.00 0.20 4.41 3.72 -1.12 -1.06 117.46 119.62 1dgq n PHE 265 Ca -0.33 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.13 1dgq n PHE 265 Cb 0.86 0.00 0.41 0.00 -0.94 0.00 0.00 39.48 39.81 1dgq n PHE 265 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1dgq h GLN 266 N 0.00 0.00 -6.30 -1.08 3.07 -1.77 -3.42 115.11 105.61 1dgq h GLN 266 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 58.17 1dgq h GLN 266 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.51 1dgq h GLN 266 CO 0.00 0.33 0.92 0.95 0.09 0.00 0.00 178.83 181.13 1dgq s THR 267 N -3.87 4.27 0.27 1.86 -4.23 -0.22 -4.92 115.64 108.79 1dgq s THR 267 Ca -0.01 1.46 -0.03 0.00 -1.18 0.00 0.00 61.69 61.92 1dgq s THR 267 Cb 0.12 -4.20 0.32 0.00 1.34 0.00 0.00 72.50 70.09 1dgq s THR 267 CO 0.68 -0.42 1.62 0.50 -0.54 0.00 0.00 174.62 176.46 1dgq h LYS 268 N 8.78 0.09 -0.92 3.99 1.63 -1.89 0.11 116.57 128.35 1dgq h LYS 268 Ca -0.25 -0.01 0.15 0.00 -0.85 0.00 0.00 60.65 59.69 1dgq h LYS 268 Cb 1.09 -0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 32.60 1dgq h LYS 268 CO 1.02 0.06 0.53 1.05 -3.45 0.00 0.00 179.45 178.66 1dgq h GLU 269 N 0.09 0.74 -0.28 1.90 4.11 -1.95 0.35 114.58 119.54 1dgq h GLU 269 Ca 0.48 -0.04 -0.14 0.00 0.07 0.00 0.00 59.36 59.73 1dgq h GLU 269 Cb 0.91 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1dgq h GLU 269 CO -0.74 0.49 -0.37 0.77 0.07 0.00 0.00 179.01 179.23 1dgq h SER 270 N 0.77 0.81 -0.53 3.06 0.02 -1.14 -2.83 113.55 113.71 1dgq h SER 270 Ca 0.49 -0.50 0.10 0.00 -0.84 0.00 0.00 61.79 61.04 1dgq h SER 270 Cb 0.65 -0.23 -0.08 0.00 0.14 0.00 0.00 62.40 62.88 1dgq h SER 270 CO -0.33 1.15 0.08 1.56 -1.14 0.00 0.00 176.83 178.15 1dgq h GLN 271 N 0.49 0.21 -0.39 3.45 4.20 -0.57 0.13 115.11 122.63 1dgq h GLN 271 Ca 0.03 -0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.84 1dgq h GLN 271 Cb 0.95 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 1dgq h GLN 271 CO 0.09 0.14 0.29 0.93 -0.67 0.00 0.00 178.83 179.60 1dgq h GLU 272 N 0.21 0.00 -0.08 1.46 4.39 -0.76 -0.30 114.58 119.50 1dgq h GLU 272 Ca 0.27 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 1dgq h GLU 272 Cb 0.38 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1dgq h GLU 272 CO -0.37 0.00 -0.06 1.79 -1.16 0.00 0.00 179.01 179.21 1dgq h THR 273 N 0.00 1.35 -0.81 1.13 1.35 -0.75 -3.18 112.91 112.00 1dgq h THR 273 Ca 0.18 -1.17 0.15 0.00 -0.55 0.00 0.00 66.41 65.02 1dgq h THR 273 Cb 0.76 1.94 -0.10 0.00 -1.73 0.00 0.00 68.15 69.03 1dgq h THR 273 CO -0.00 0.33 0.38 -0.07 -0.25 0.00 0.00 175.52 175.90 1dgq h LEU 274 N -0.21 0.42 -1.64 3.87 3.38 -0.67 0.16 115.31 120.63 1dgq h LEU 274 Ca 0.02 0.10 0.23 0.00 0.09 0.00 0.00 57.88 58.32 1dgq h LEU 274 Cb 0.55 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1dgq h LEU 274 CO 0.02 0.16 0.63 0.45 0.09 0.00 0.00 178.44 179.79 1dgq h HIS 275 N 0.54 0.39 0.09 1.13 3.86 -1.20 0.11 115.15 120.07 1dgq h HIS 275 Ca 0.44 0.01 -0.29 0.00 -1.16 0.00 0.00 60.37 59.37 1dgq h HIS 275 Cb 0.65 -0.12 0.03 0.00 1.06 0.00 0.00 27.41 29.03 1dgq h HIS 275 CO -0.12 0.09 -1.20 0.87 0.86 0.00 0.00 177.93 178.42 1dgq h LYS 276 N 0.28 0.65 -0.31 2.45 1.57 -0.71 -3.34 116.57 117.16 1dgq h LYS 276 Ca 0.48 -0.82 -0.08 0.00 -1.87 0.00 0.00 60.65 58.36 1dgq h LYS 276 Cb 1.40 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.96 1dgq h LYS 276 CO -0.14 1.37 -0.10 0.74 -0.57 0.00 0.00 179.45 180.75 1dgq h PHE 277 N 0.31 0.70 -3.71 -1.35 0.04 -0.56 -3.45 116.94 108.92 1dgq h PHE 277 Ca -0.17 -0.16 -0.46 0.00 2.80 0.00 0.00 57.97 59.97 1dgq h PHE 277 Cb 1.86 -0.17 0.19 0.00 2.20 0.00 0.00 35.95 40.03 1dgq h PHE 277 CO 0.11 0.82 0.13 0.00 -0.60 0.00 0.00 178.31 178.77 1dgq s ALA 278 N -4.71 0.52 0.71 2.45 0.00 0.19 -4.81 121.76 116.11 1dgq s ALA 278 Ca -0.13 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 1dgq s ALA 278 Cb 0.09 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.97 1dgq s ALA 278 CO 0.79 -3.18 1.09 -1.12 0.00 0.00 0.00 175.76 173.35 1dgq s SER 279 N -2.89 5.41 0.01 0.00 0.01 -0.38 -4.88 113.70 110.97 1dgq s SER 279 Ca 0.67 1.16 0.00 0.00 1.31 0.00 0.00 55.95 59.09 1dgq s SER 279 Cb -0.22 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 1dgq s SER 279 CO 0.61 -1.37 0.06 -0.54 0.41 0.00 0.00 173.24 172.41 1dgq s LYS 280 N -5.33 2.97 0.09 12.44 -0.14 -1.26 -3.50 119.74 125.00 1dgq s LYS 280 Ca 0.58 -0.54 -0.31 0.00 -1.36 0.00 0.00 55.97 54.34 1dgq s LYS 280 Cb -0.11 -2.79 -0.07 0.00 -1.68 0.00 0.00 37.83 33.18 1dgq s LYS 280 CO 0.52 0.63 1.27 -2.14 -0.76 0.00 0.00 175.35 174.88 1dgq s PRO 281 N -1.76 4.39 0.49 -1.68 0.02 -1.26 -4.98 135.00 130.22 1dgq s PRO 281 Ca 0.23 1.89 0.18 0.00 0.02 0.00 0.00 61.00 63.32 1dgq s PRO 281 Cb -0.12 -3.30 1.22 0.00 0.02 0.00 0.00 34.50 32.32 1dgq s PRO 281 CO 0.14 -0.32 2.05 0.00 -0.33 0.00 0.00 177.00 178.53 1dgq h ALA 282 N 6.75 2.16 -0.64 -1.55 0.00 -1.88 0.11 119.26 124.21 1dgq h ALA 282 Ca -0.42 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.57 1dgq h ALA 282 Cb 1.21 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1dgq h ALA 282 CO 0.83 -0.24 0.43 0.66 0.00 0.00 0.00 179.25 180.92 1dgq h SER 283 N 0.14 0.44 0.08 0.00 4.64 -1.89 0.18 113.55 117.15 1dgq h SER 283 Ca 0.17 0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.26 1dgq h SER 283 Cb 0.48 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1dgq h SER 283 CO -0.02 0.27 -1.20 -0.33 -0.87 0.00 0.00 176.83 174.68 1dgq h GLU 284 N 0.49 0.17 0.00 4.77 4.39 -1.18 -3.41 114.58 119.81 1dgq h GLU 284 Ca 0.29 -0.29 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 1dgq h GLU 284 Cb 0.49 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 1dgq h GLU 284 CO -0.09 1.14 -1.14 0.74 -1.16 0.00 0.00 179.01 178.50 1dgq h PHE 285 N -0.51 0.00 -3.20 4.33 0.04 -1.08 -3.45 116.94 113.07 1dgq h PHE 285 Ca -0.27 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.91 1dgq h PHE 285 Cb 1.58 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.65 1dgq h PHE 285 CO 0.14 0.72 -0.24 0.08 -0.60 0.00 0.00 178.31 178.42 1dgq s VAL 286 N -2.83 5.20 -0.19 -0.55 1.01 0.63 -0.55 120.40 123.11 1dgq s VAL 286 Ca -0.01 0.74 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 1dgq s VAL 286 Cb 0.09 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.81 1dgq s VAL 286 CO 0.80 0.43 -0.02 -0.54 0.00 0.00 0.00 175.10 175.77 1dgq s LYS 287 N 0.04 1.14 -0.39 2.72 -0.14 -0.12 -4.75 119.74 118.24 1dgq s LYS 287 Ca 0.21 -0.57 -0.28 0.00 -1.36 0.00 0.00 55.97 53.97 1dgq s LYS 287 Cb -0.15 -2.15 0.02 0.00 -1.68 0.00 0.00 37.83 33.87 1dgq s LYS 287 CO 0.08 -0.55 1.02 0.42 -0.76 0.00 0.00 175.35 175.57 1dgq s ILE 288 N 1.67 4.45 -0.37 2.17 -1.09 -1.26 -0.59 121.20 126.19 1dgq s ILE 288 Ca -0.01 1.32 -0.05 0.00 -2.23 0.00 0.00 60.65 59.67 1dgq s ILE 288 Cb -0.17 -4.44 0.07 0.00 -1.58 0.00 0.00 42.46 36.34 1dgq s ILE 288 CO -0.07 -0.67 0.14 -0.22 -1.23 0.00 0.00 174.94 172.89 1dgq s LEU 289 N 3.80 4.63 0.27 2.97 2.96 0.43 -4.94 118.68 128.81 1dgq s LEU 289 Ca 0.43 -1.44 -0.09 0.00 -0.22 0.00 0.00 54.13 52.81 1dgq s LEU 289 Cb -0.11 -1.86 0.42 0.00 0.50 0.00 0.00 46.19 45.15 1dgq s LEU 289 CO 0.22 -0.41 1.57 -2.24 -1.32 0.00 0.00 176.35 174.17 1dgq h ASP 290 N 8.19 -0.89 -5.02 3.68 2.03 -1.91 0.29 116.42 122.79 1dgq h ASP 290 Ca -0.21 0.28 -0.15 0.00 -0.73 0.00 0.00 57.03 56.23 1dgq h ASP 290 Cb 1.07 0.59 -0.20 0.00 -0.83 0.00 0.00 39.33 39.97 1dgq h ASP 290 CO 0.65 -0.31 -0.57 0.42 -1.03 0.00 0.00 179.24 178.40 1dgq s THR 291 N -6.25 0.11 0.30 1.15 -4.23 -1.26 -3.14 115.64 102.31 1dgq s THR 291 Ca -0.15 -0.91 0.05 0.00 -1.18 0.00 0.00 61.69 59.50 1dgq s THR 291 Cb 0.26 -0.55 0.29 0.00 1.34 0.00 0.00 72.50 73.84 1dgq s THR 291 CO 0.77 -0.50 1.72 -0.26 -0.54 0.00 0.00 174.62 175.81 1dgq h PHE 292 N 4.16 0.80 -0.97 3.99 0.04 -1.96 -0.03 116.94 122.97 1dgq h PHE 292 Ca -0.32 0.04 0.23 0.00 2.80 0.00 0.00 57.97 60.73 1dgq h PHE 292 Cb 1.19 -0.21 -0.18 0.00 2.20 0.00 0.00 35.95 38.96 1dgq h PHE 292 CO 0.60 0.02 -0.09 0.39 -0.60 0.00 0.00 178.31 178.62 1dgq n GLU 293 N -4.97 -0.08 0.00 1.51 4.71 -1.26 -0.58 120.64 119.98 1dgq n GLU 293 Ca 0.23 1.48 0.14 0.00 -0.01 0.00 0.00 57.16 58.99 1dgq n GLU 293 Cb 0.66 -2.28 0.75 0.00 -1.01 0.00 0.00 31.44 29.56 1dgq n GLU 293 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1dgq n LYS 294 N -5.50 0.63 -0.32 3.49 4.76 -0.03 -3.32 118.16 117.87 1dgq n LYS 294 Ca 0.20 0.02 0.11 0.00 -2.87 0.00 0.00 58.31 55.76 1dgq n LYS 294 Cb 0.63 -1.50 0.28 0.00 -1.84 0.00 0.00 35.03 32.60 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 0.60 -1.60 -0.35 3.38 -0.93 0.11 115.31 116.52 1dgq h LEU 295 Ca 0.00 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1dgq h LEU 295 Cb 0.12 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1dgq h LEU 295 CO 0.00 0.20 0.33 0.11 0.09 0.00 0.00 178.44 179.17 1dgq h LYS 296 N 0.64 0.50 0.03 1.13 1.57 -1.75 0.10 116.57 118.79 1dgq h LYS 296 Ca 0.53 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1dgq h LYS 296 Cb 0.82 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1dgq h LYS 296 CO -0.40 0.33 -0.01 0.22 -0.57 0.00 0.00 179.45 179.02 1dgq h ASP 297 N 0.51 -0.04 -0.91 0.86 3.58 -1.14 -3.36 116.42 115.92 1dgq h ASP 297 Ca 0.21 -0.11 0.26 0.00 0.42 0.00 0.00 57.03 57.81 1dgq h ASP 297 Cb 0.17 0.01 -0.15 0.00 1.72 0.00 0.00 39.33 41.08 1dgq h ASP 297 CO -0.05 0.51 0.26 0.25 -2.88 0.00 0.00 179.24 177.33 1dgq h LEU 298 N -1.01 0.01 -0.84 2.28 5.85 -0.75 0.57 115.31 121.41 1dgq h LEU 298 Ca -0.00 0.21 0.21 0.00 0.84 0.00 0.00 57.88 59.14 1dgq h LEU 298 Cb 0.14 0.28 -0.16 0.00 0.37 0.00 0.00 40.66 41.30 1dgq h LEU 298 CO 0.01 -0.20 -0.07 0.33 -0.34 0.00 0.00 178.44 178.17 1dgq n PHE 299 N -5.25 0.45 -0.16 1.25 7.35 0.35 -0.31 117.46 121.14 1dgq n PHE 299 Ca 0.24 1.02 -0.06 0.00 -0.76 0.00 0.00 57.45 57.89 1dgq n PHE 299 Cb 0.77 -1.08 0.03 0.00 0.35 0.00 0.00 39.48 39.55 1dgq n PHE 299 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1dgq h THR 300 N 0.00 1.05 -0.10 -2.13 2.02 -1.07 0.32 112.91 113.00 1dgq h THR 300 Ca 0.47 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.42 1dgq h THR 300 Cb 0.89 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1dgq h THR 300 CO -0.82 0.11 -0.05 -0.08 0.37 0.00 0.00 175.52 175.05 1dgq h GLU 301 N 0.58 0.21 -0.65 6.66 4.57 -0.79 -0.13 114.58 125.04 1dgq h GLU 301 Ca 0.19 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1dgq h GLU 301 Cb 0.01 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1dgq h GLU 301 CO -0.09 0.57 0.27 -0.07 -1.18 0.00 0.00 179.01 178.51 1dgq h LEU 302 N -0.15 0.88 -0.44 1.64 3.38 -0.89 -0.51 115.31 119.21 1dgq h LEU 302 Ca 0.02 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.91 1dgq h LEU 302 Cb 0.51 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 1dgq h LEU 302 CO 0.02 0.80 0.01 -0.61 0.09 0.00 0.00 178.44 178.75 1dgq h GLN 303 N 0.90 0.12 -0.02 1.13 5.75 -0.27 0.27 115.11 122.99 1dgq h GLN 303 Ca 0.22 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.74 1dgq h GLN 303 Cb 0.18 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.67 1dgq h GLN 303 CO -0.02 0.08 -0.19 -0.22 -2.65 0.00 0.00 178.83 175.83 1dgq h LYS 304 N 0.12 -0.29 -0.38 1.69 1.63 -0.43 -1.19 116.57 117.73 1dgq h LYS 304 Ca 0.22 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.09 1dgq h LYS 304 Cb 0.32 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.97 1dgq h LYS 304 CO -0.36 -0.19 0.11 0.87 -3.45 0.00 0.00 179.45 176.43 1dgq h LYS 305 N -0.30 0.24 -0.86 1.90 1.57 -0.12 0.58 116.57 119.58 1dgq h LYS 305 Ca 0.06 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.94 1dgq h LYS 305 Cb 0.38 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 1dgq h LYS 305 CO -0.19 0.16 0.56 0.82 -0.57 0.00 0.00 179.45 180.22 1dgq h ILE 306 N 0.25 0.91 0.29 1.86 2.04 -0.24 0.15 117.51 122.77 1dgq h ILE 306 Ca 0.18 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1dgq h ILE 306 Cb 0.18 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1dgq h ILE 306 CO -0.20 0.14 -0.14 0.22 0.00 0.00 0.00 178.15 178.16 1dgq h TYR 307 N 0.77 -0.37 -0.50 1.37 3.20 -0.44 -3.29 116.97 117.70 1dgq h TYR 307 Ca 0.41 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.42 1dgq h TYR 307 Cb 0.54 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 1dgq h TYR 307 CO -0.00 -0.02 0.46 0.28 -1.64 0.00 0.00 178.16 177.24 1dgq h VAL 308 N -0.78 0.45 -0.99 1.81 2.07 0.96 0.12 116.25 119.90 1dgq h VAL 308 Ca -0.04 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.75 1dgq h VAL 308 Cb 0.51 0.64 -0.18 0.00 -1.52 0.00 0.00 31.29 30.74 1dgq h VAL 308 CO 0.07 0.00 0.00 0.40 0.02 0.00 0.00 177.57 178.06 1dgq h ILE 309 N 0.00 0.02 0.02 4.57 1.08 -0.87 -2.46 117.51 119.87 1dgq h ILE 309 Ca 0.24 -0.00 -0.39 0.00 -0.39 0.00 0.00 64.86 64.32 1dgq h ILE 309 Cb 1.16 0.01 -0.06 0.00 -3.07 0.00 0.00 36.82 34.86 1dgq h ILE 309 CO -0.00 0.00 -2.40 -1.84 -0.69 0.00 0.00 178.15 173.22 1dgq n GLU 310 N -5.50 0.67 -0.40 2.37 0.28 -0.02 -5.05 120.64 112.99 1dgq n GLU 310 Ca 0.23 0.16 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 1dgq n GLU 310 Cb 0.74 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 32.06 1dgq n GLU 310 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38