#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dgq n ALA 125 N 0.00 0.00 -2.96 -5.12 0.00 -1.26 -2.57 120.51 108.60 1dgq n ALA 125 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1dgq n ALA 125 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1dgq n ALA 125 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1dgq n SER 126 N 1.05 -4.77 -3.03 0.00 7.64 -1.01 -4.89 113.62 108.61 1dgq n SER 126 Ca 0.00 -0.55 -0.30 0.00 1.01 0.00 0.00 58.87 59.03 1dgq n SER 126 Cb 0.00 -4.25 -0.05 0.00 -1.01 0.00 0.00 64.21 58.89 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 -3.04 3.04 0.00 1.43 0.00 -0.36 -4.65 118.16 114.57 1dgq n LYS 127 Ca -0.10 -1.81 0.00 0.00 0.00 0.00 0.00 58.31 56.40 1dgq n LYS 127 Cb 0.61 -2.57 0.00 0.00 0.00 0.00 0.00 35.03 33.07 1dgq n LYS 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1dgq n GLY 128 N 3.40 0.89 1.06 3.14 0.00 -1.26 -4.91 105.19 107.50 1dgq n GLY 128 Ca 0.65 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.50 1dgq n GLY 128 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dgq n ASN 129 N 2.31 -0.32 -3.72 1.61 2.85 -1.26 -4.79 115.26 111.93 1dgq n ASN 129 Ca 0.00 0.35 -0.17 0.00 -0.11 0.00 0.00 54.58 54.65 1dgq n ASN 129 Cb 0.00 -0.29 -0.16 0.00 1.24 0.00 0.00 39.78 40.56 1dgq n ASN 129 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1dgq s VAL 130 N -0.26 -0.11 -0.56 3.44 1.01 0.17 -0.53 120.40 123.57 1dgq s VAL 130 Ca 0.21 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.33 1dgq s VAL 130 Cb -0.30 -0.16 0.11 0.00 0.00 0.00 0.00 36.38 36.02 1dgq s VAL 130 CO 0.17 0.13 0.60 -1.81 0.00 0.00 0.00 175.10 174.20 1dgq s ASP 131 N 1.66 6.19 -0.44 3.32 1.01 0.46 -0.26 116.67 128.61 1dgq s ASP 131 Ca -0.02 -1.51 -0.15 0.00 0.71 0.00 0.00 52.55 51.58 1dgq s ASP 131 Cb -0.12 -2.26 0.05 0.00 1.01 0.00 0.00 42.92 41.59 1dgq s ASP 131 CO -0.04 -0.97 0.34 -0.22 0.21 0.00 0.00 175.17 174.49 1dgq s LEU 132 N 2.23 5.33 -0.31 1.23 0.20 0.57 -0.60 118.68 127.34 1dgq s LEU 132 Ca 0.08 -1.13 -0.18 0.00 0.69 0.00 0.00 54.13 53.59 1dgq s LEU 132 Cb -0.26 -2.15 -0.01 0.00 -0.43 0.00 0.00 46.19 43.33 1dgq s LEU 132 CO 0.06 -0.54 0.54 -0.69 -0.29 0.00 0.00 176.35 175.42 1dgq s VAL 133 N 1.64 5.02 -0.62 1.68 1.01 0.23 -0.61 120.40 128.75 1dgq s VAL 133 Ca 0.04 0.66 -0.24 0.00 0.00 0.00 0.00 61.98 62.44 1dgq s VAL 133 Cb -0.22 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.30 1dgq s VAL 133 CO 0.08 -0.08 1.03 -0.36 0.00 0.00 0.00 175.10 175.76 1dgq s PHE 134 N 2.41 2.65 -0.88 5.22 0.08 0.19 -0.49 117.98 127.16 1dgq s PHE 134 Ca 0.21 -0.18 -0.17 0.00 0.12 0.00 0.00 56.93 56.92 1dgq s PHE 134 Cb -0.15 -4.28 0.16 0.00 -0.57 0.00 0.00 43.02 38.18 1dgq s PHE 134 CO 0.11 -1.60 0.97 -1.17 -0.10 0.00 0.00 175.22 173.44 1dgq s LEU 135 N 4.37 5.72 -0.11 -0.37 2.96 0.25 -0.61 118.68 130.88 1dgq s LEU 135 Ca 0.29 -2.27 -0.02 0.00 -0.22 0.00 0.00 54.13 51.91 1dgq s LEU 135 Cb -0.13 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 1dgq s LEU 135 CO 0.16 -0.88 -0.04 0.72 -1.32 0.00 0.00 176.35 174.99 1dgq s PHE 136 N 1.72 3.02 0.09 5.38 -0.71 -0.14 -0.76 117.98 126.58 1dgq s PHE 136 Ca 0.26 -0.10 -0.30 0.00 -1.04 0.00 0.00 56.93 55.75 1dgq s PHE 136 Cb -0.08 -1.85 -0.05 0.00 -1.21 0.00 0.00 43.02 39.84 1dgq s PHE 136 CO -0.09 0.18 0.96 0.34 -1.34 0.00 0.00 175.22 175.27 1dgq s ASP 137 N -0.25 7.47 -0.31 1.98 2.15 0.58 -0.62 116.67 127.66 1dgq s ASP 137 Ca 0.04 1.76 0.17 0.00 0.43 0.00 0.00 52.55 54.95 1dgq s ASP 137 Cb -0.13 -2.58 0.47 0.00 -0.30 0.00 0.00 42.92 40.38 1dgq s ASP 137 CO 0.02 -0.09 1.04 0.61 -0.17 0.00 0.00 175.17 176.58 1dgq n GLY 138 N 2.36 2.55 3.86 2.66 0.00 0.83 -4.87 105.19 112.58 1dgq n GLY 138 Ca 0.03 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.43 4.85 0.65 1.61 1.04 -1.25 -0.35 113.70 116.82 1dgq s SER 139 Ca 0.32 1.08 0.36 0.00 0.48 0.00 0.00 55.95 58.18 1dgq s SER 139 Cb 0.40 -1.78 1.95 0.00 0.10 0.00 0.00 66.02 66.70 1dgq s SER 139 CO -0.01 -1.72 2.13 0.00 0.98 0.00 0.00 173.24 174.62 1dgq h MET 140 N -0.92 0.00 0.00 4.02 -0.00 -1.07 0.67 114.93 117.63 1dgq h MET 140 Ca -0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.24 1dgq h MET 140 Cb 1.28 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.88 1dgq h MET 140 CO 0.63 0.00 -0.02 0.66 -0.00 0.00 0.00 176.91 178.18 1dgq h SER 141 N 0.00 0.00 -3.39 -0.10 4.64 -1.92 -3.43 113.55 109.34 1dgq h SER 141 Ca 0.02 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.79 1dgq h SER 141 Cb 0.38 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.44 1dgq h SER 141 CO -0.00 0.02 0.04 -0.76 -0.87 0.00 0.00 176.83 175.26 1dgq s LEU 142 N -6.51 4.48 0.14 5.97 2.01 0.23 -5.10 118.68 119.90 1dgq s LEU 142 Ca -0.04 1.37 -0.00 0.00 0.01 0.00 0.00 54.13 55.47 1dgq s LEU 142 Cb 0.13 -3.19 -0.04 0.00 0.01 0.00 0.00 46.19 43.10 1dgq s LEU 142 CO 0.48 0.19 0.31 -1.10 1.01 0.00 0.00 176.35 177.23 1dgq s GLN 143 N -1.41 3.49 0.18 1.70 1.11 -1.26 -4.94 119.66 118.53 1dgq s GLN 143 Ca 0.35 -0.40 -0.25 0.00 0.01 0.00 0.00 55.36 55.07 1dgq s GLN 143 Cb -0.19 -2.93 0.06 0.00 -1.01 0.00 0.00 33.01 28.94 1dgq s GLN 143 CO 0.21 0.50 1.56 -1.35 0.01 0.00 0.00 175.29 176.23 1dgq h PRO 144 N 2.48 -0.17 -0.86 2.91 0.11 -1.98 0.21 132.00 134.70 1dgq h PRO 144 Ca -0.47 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1dgq h PRO 144 Cb 1.18 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1dgq h PRO 144 CO 0.71 -0.11 0.56 0.38 -0.21 0.00 0.00 178.00 179.33 1dgq h ASP 145 N -0.18 0.87 -0.14 -2.05 2.03 -1.98 0.19 116.42 115.16 1dgq h ASP 145 Ca 0.20 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.47 1dgq h ASP 145 Cb 0.56 -0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 38.86 1dgq h ASP 145 CO -0.75 0.57 -0.04 -0.33 -1.03 0.00 0.00 179.24 177.67 1dgq h GLU 146 N 0.99 0.28 -0.85 4.15 5.08 -1.63 -0.75 114.58 121.85 1dgq h GLU 146 Ca 0.36 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1dgq h GLU 146 Cb 0.15 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1dgq h GLU 146 CO -0.12 0.57 0.56 0.35 -1.00 0.00 0.00 179.01 179.37 1dgq h PHE 147 N -0.03 1.05 -0.43 4.33 3.57 -0.30 0.73 116.94 125.86 1dgq h PHE 147 Ca 0.04 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.61 1dgq h PHE 147 Cb 0.47 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1dgq h PHE 147 CO 0.05 0.63 0.18 1.96 -2.23 0.00 0.00 178.31 178.90 1dgq h GLN 148 N 1.11 0.35 -0.98 1.11 1.08 -0.47 0.79 115.11 118.11 1dgq h GLN 148 Ca 0.33 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.55 1dgq h GLN 148 Cb -0.05 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.24 1dgq h GLN 148 CO -0.09 0.23 0.64 0.87 -0.95 0.00 0.00 178.83 179.53 1dgq h LYS 149 N 0.36 1.19 -0.66 1.46 1.57 0.26 0.22 116.57 120.97 1dgq h LYS 149 Ca 0.19 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1dgq h LYS 149 Cb 0.16 -0.27 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 1dgq h LYS 149 CO -0.18 0.79 0.38 0.82 -0.57 0.00 0.00 179.45 180.69 1dgq h ILE 150 N 1.23 1.00 0.19 1.86 1.08 -0.02 -0.04 117.51 122.82 1dgq h ILE 150 Ca 0.39 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.62 1dgq h ILE 150 Cb 0.02 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 1dgq h ILE 150 CO -0.12 0.13 -0.17 -0.07 -0.69 0.00 0.00 178.15 177.23 1dgq h LEU 151 N 0.71 -0.44 -0.75 1.44 3.38 0.52 -2.98 115.31 117.20 1dgq h LEU 151 Ca 0.28 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.40 1dgq h LEU 151 Cb 0.13 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 1dgq h LEU 151 CO -0.16 -0.26 0.37 0.44 0.09 0.00 0.00 178.44 178.93 1dgq h ASP 152 N -0.38 0.47 0.11 -0.43 3.32 -0.16 0.10 116.42 119.46 1dgq h ASP 152 Ca -0.00 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.14 1dgq h ASP 152 Cb 0.35 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 1dgq h ASP 152 CO -0.03 0.25 -0.41 0.15 -1.72 0.00 0.00 179.24 177.48 1dgq h PHE 153 N 0.61 -1.15 0.05 4.55 3.04 -0.92 0.20 116.94 123.31 1dgq h PHE 153 Ca 0.38 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.37 1dgq h PHE 153 Cb 0.44 0.49 -0.01 0.00 2.56 0.00 0.00 35.95 39.43 1dgq h PHE 153 CO -0.11 -0.51 -0.08 0.52 -2.02 0.00 0.00 178.31 176.12 1dgq h MET 154 N -0.64 -0.15 -0.77 1.11 2.86 -1.20 -2.31 114.93 113.83 1dgq h MET 154 Ca 0.02 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.85 1dgq h MET 154 Cb 0.67 0.03 -0.12 0.00 0.06 0.00 0.00 31.60 32.24 1dgq h MET 154 CO -0.25 -0.10 0.14 -0.22 1.06 0.00 0.00 176.91 177.54 1dgq h LYS 155 N -0.16 0.20 0.37 1.72 3.64 -0.61 0.43 116.57 122.16 1dgq h LYS 155 Ca 0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1dgq h LYS 155 Cb 0.17 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1dgq h LYS 155 CO -0.04 0.13 -0.27 -0.44 -2.27 0.00 0.00 179.45 176.56 1dgq h ASP 156 N 0.21 -0.70 -0.28 4.20 3.32 -0.05 0.18 116.42 123.30 1dgq h ASP 156 Ca 0.44 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.60 1dgq h ASP 156 Cb 0.80 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.52 1dgq h ASP 156 CO -0.59 -0.41 -0.08 0.58 -1.72 0.00 0.00 179.24 177.02 1dgq h VAL 157 N -0.63 0.70 -0.78 -1.35 2.07 -0.98 -0.30 116.25 114.98 1dgq h VAL 157 Ca -0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1dgq h VAL 157 Cb 0.55 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1dgq h VAL 157 CO 0.00 0.00 0.51 0.24 0.02 0.00 0.00 177.57 178.34 1dgq h MET 158 N -0.02 1.00 0.87 1.57 2.86 -0.66 0.12 114.93 120.68 1dgq h MET 158 Ca 0.14 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1dgq h MET 158 Cb 0.22 -0.23 0.01 0.00 0.06 0.00 0.00 31.60 31.67 1dgq h MET 158 CO -0.29 0.66 -0.42 0.87 1.06 0.00 0.00 176.91 178.79 1dgq h LYS 159 N 1.03 -1.13 -0.75 1.72 1.79 -0.07 -0.40 116.57 118.76 1dgq h LYS 159 Ca 0.29 0.08 0.11 0.00 -2.18 0.00 0.00 60.65 58.95 1dgq h LYS 159 Cb -0.08 0.26 -0.08 0.00 -1.58 0.00 0.00 32.23 30.74 1dgq h LYS 159 CO -0.08 -0.75 0.37 0.87 -1.08 0.00 0.00 179.45 178.78 1dgq h LYS 160 N -1.19 0.58 -1.25 3.15 6.56 -0.75 -2.02 116.57 121.65 1dgq h LYS 160 Ca -0.12 -0.03 -0.66 0.00 -1.06 0.00 0.00 60.65 58.77 1dgq h LYS 160 Cb 0.90 -0.13 -0.33 0.00 -0.57 0.00 0.00 32.23 32.10 1dgq h LYS 160 CO 0.20 0.38 0.34 1.28 -2.06 0.00 0.00 179.45 179.59 1dgq n LEU 161 N -4.88 6.67 -4.41 2.94 4.77 0.41 -4.92 117.00 117.58 1dgq n LEU 161 Ca 0.13 -4.64 -0.28 0.00 -0.03 0.00 0.00 56.01 51.19 1dgq n LEU 161 Cb 0.32 -0.79 -0.08 0.00 -2.33 0.00 0.00 43.42 40.54 1dgq n LEU 161 CO 0.23 1.78 1.48 -1.20 -1.33 0.00 0.00 177.39 178.36 1dgq n SER 162 N -0.73 2.54 -3.64 -1.43 7.64 -0.16 -4.76 113.62 113.08 1dgq n SER 162 Ca 0.54 -2.64 -0.09 0.00 1.01 0.00 0.00 58.87 57.69 1dgq n SER 162 Cb 0.63 -1.61 -0.07 0.00 -1.01 0.00 0.00 64.21 62.15 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 6.77 -0.83 0.26 6.43 3.84 -1.26 -5.07 114.94 125.08 1dgq s ASN 163 Ca 0.70 1.40 -0.09 0.00 0.21 0.00 0.00 52.86 55.08 1dgq s ASN 163 Cb 0.01 1.37 0.42 0.00 -0.55 0.00 0.00 41.25 42.49 1dgq s ASN 163 CO 0.16 -0.23 1.58 0.74 -2.79 0.00 0.00 177.10 176.56 1dgq h THR 164 N 4.66 0.09 -1.09 -5.21 2.02 -1.96 -1.67 112.91 109.75 1dgq h THR 164 Ca -0.29 -0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.19 1dgq h THR 164 Cb 1.21 0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 1dgq h THR 164 CO 0.13 0.00 0.76 0.28 0.37 0.00 0.00 175.52 177.06 1dgq h SER 165 N 0.00 0.13 -3.38 4.18 0.02 -1.93 -2.85 113.55 109.73 1dgq h SER 165 Ca 0.44 0.03 -0.76 0.00 -0.84 0.00 0.00 61.79 60.65 1dgq h SER 165 Cb 0.68 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.99 1dgq h SER 165 CO -0.94 0.03 0.06 -0.31 -1.14 0.00 0.00 176.83 174.53 1dgq s TYR 166 N -5.12 3.47 -0.48 3.45 2.02 -0.63 -0.65 117.35 119.41 1dgq s TYR 166 Ca -0.06 -1.61 -0.28 0.00 -0.37 0.00 0.00 57.07 54.74 1dgq s TYR 166 Cb 0.23 -3.87 0.03 0.00 -0.40 0.00 0.00 41.96 37.95 1dgq s TYR 166 CO 0.80 -1.08 1.11 -0.65 -1.57 0.00 0.00 175.55 174.16 1dgq s GLN 167 N 1.10 3.67 0.32 -0.62 1.11 0.64 -4.72 119.66 121.16 1dgq s GLN 167 Ca 0.14 0.47 -0.05 0.00 0.01 0.00 0.00 55.36 55.92 1dgq s GLN 167 Cb -0.17 -3.92 -0.05 0.00 -1.01 0.00 0.00 33.01 27.86 1dgq s GLN 167 CO -0.04 -1.38 0.60 -0.06 0.01 0.00 0.00 175.29 174.42 1dgq s PHE 168 N 4.38 3.48 0.05 0.91 0.40 -1.26 -0.31 117.98 125.63 1dgq s PHE 168 Ca 0.46 0.68 -0.03 0.00 -0.60 0.00 0.00 56.93 57.44 1dgq s PHE 168 Cb -0.08 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.29 1dgq s PHE 168 CO 0.31 0.10 0.03 0.00 0.70 0.00 0.00 175.22 176.36 1dgq s ALA 169 N -2.18 0.23 -0.02 5.36 0.00 0.22 -3.28 121.76 122.08 1dgq s ALA 169 Ca 0.45 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1dgq s ALA 169 Cb -0.10 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.33 1dgq s ALA 169 CO 0.32 -0.36 0.01 0.00 0.00 0.00 0.00 175.76 175.73 1dgq s ALA 170 N -3.35 0.21 -0.27 0.00 0.00 -0.05 -0.64 121.76 117.67 1dgq s ALA 170 Ca 0.02 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1dgq s ALA 170 Cb 0.04 -0.28 0.05 0.00 0.00 0.00 0.00 23.12 22.92 1dgq s ALA 170 CO -0.08 -0.08 -0.07 0.08 0.00 0.00 0.00 175.76 175.61 1dgq s VAL 171 N 1.01 2.56 0.59 0.00 1.01 0.22 -0.27 120.40 125.52 1dgq s VAL 171 Ca -0.09 -1.41 -0.14 0.00 0.00 0.00 0.00 61.98 60.34 1dgq s VAL 171 Cb -0.13 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1dgq s VAL 171 CO -0.02 0.02 1.03 0.00 0.00 0.00 0.00 175.10 176.12 1dgq s GLN 172 N 1.20 3.54 0.04 2.72 -2.07 -0.11 -0.97 119.66 124.01 1dgq s GLN 172 Ca -0.05 0.95 -0.14 0.00 -1.82 0.00 0.00 55.36 54.30 1dgq s GLN 172 Cb -0.19 -2.07 0.02 0.00 -1.09 0.00 0.00 33.01 29.68 1dgq s GLN 172 CO -0.04 -0.61 0.30 -0.59 -1.32 0.00 0.00 175.29 173.03 1dgq s PHE 173 N -2.81 -0.11 0.00 9.60 -0.71 0.21 -0.53 117.98 123.63 1dgq s PHE 173 Ca 0.59 -0.00 0.00 0.00 -1.04 0.00 0.00 56.93 56.47 1dgq s PHE 173 Cb -0.12 0.09 0.00 0.00 -1.21 0.00 0.00 43.02 41.78 1dgq s PHE 173 CO 0.43 -0.49 0.00 0.45 -1.34 0.00 0.00 175.22 174.27 1dgq n SER 174 N 0.67 0.00 -0.32 1.98 2.88 -1.26 -0.12 113.62 117.45 1dgq n SER 174 Ca -0.19 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.42 1dgq n SER 174 Cb 0.59 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.27 1dgq n SER 174 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1dgq h THR 175 N 0.00 0.83 -2.60 2.46 2.02 -1.66 0.15 112.91 114.10 1dgq h THR 175 Ca 0.00 -0.27 -0.58 0.00 0.77 0.00 0.00 66.41 66.33 1dgq h THR 175 Cb 0.00 -0.03 -0.10 0.00 -1.74 0.00 0.00 68.15 66.28 1dgq h THR 175 CO 0.00 0.14 -0.64 -0.44 0.37 0.00 0.00 175.52 174.96 1dgq s SER 176 N -5.55 4.82 0.19 4.18 0.01 -1.26 -4.53 113.70 111.57 1dgq s SER 176 Ca -0.12 -0.44 -0.05 0.00 1.31 0.00 0.00 55.95 56.65 1dgq s SER 176 Cb 0.22 -1.03 -0.05 0.00 0.21 0.00 0.00 66.02 65.36 1dgq s SER 176 CO 0.79 0.05 0.44 -0.72 0.41 0.00 0.00 173.24 174.21 1dgq s TYR 177 N -1.94 3.47 -0.24 2.43 -0.85 -1.26 -4.41 117.35 114.54 1dgq s TYR 177 Ca 0.29 0.58 -0.02 0.00 -0.52 0.00 0.00 57.07 57.40 1dgq s TYR 177 Cb -0.08 -2.03 0.13 0.00 0.38 0.00 0.00 41.96 40.35 1dgq s TYR 177 CO 0.20 0.35 0.34 0.21 -1.52 0.00 0.00 175.55 175.13 1dgq s LYS 178 N -2.96 0.32 -0.21 -3.49 2.20 0.31 -4.97 119.74 110.93 1dgq s LYS 178 Ca 0.42 0.36 -0.28 0.00 -0.36 0.00 0.00 55.97 56.11 1dgq s LYS 178 Cb -0.12 -0.64 -0.05 0.00 -1.51 0.00 0.00 37.83 35.51 1dgq s LYS 178 CO 0.26 -0.72 2.21 0.99 -0.36 0.00 0.00 175.35 177.73 1dgq s THR 179 N 2.48 3.01 -0.02 3.43 2.01 -1.26 -0.94 115.64 124.35 1dgq s THR 179 Ca 0.11 0.01 -0.25 0.00 0.31 0.00 0.00 61.69 61.87 1dgq s THR 179 Cb -0.15 -3.01 -0.20 0.00 0.01 0.00 0.00 72.50 69.14 1dgq s THR 179 CO -0.18 -0.01 1.21 -0.33 -0.69 0.00 0.00 174.62 174.63 1dgq h GLU 180 N 14.89 0.08 -2.70 4.92 5.08 -0.96 -3.48 114.58 132.40 1dgq h GLU 180 Ca -0.41 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 57.84 1dgq h GLU 180 Cb 1.24 0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.33 1dgq h GLU 180 CO 0.96 0.61 0.06 -0.59 -1.00 0.00 0.00 179.01 179.06 1dgq s PHE 181 N -3.98 -0.45 0.40 4.33 -0.12 -1.09 -4.75 117.98 112.31 1dgq s PHE 181 Ca -0.16 0.53 0.03 0.00 -0.05 0.00 0.00 56.93 57.28 1dgq s PHE 181 Cb 0.02 0.36 0.03 0.00 -0.63 0.00 0.00 43.02 42.80 1dgq s PHE 181 CO 0.70 -0.65 0.24 -0.40 -0.05 0.00 0.00 175.22 175.05 1dgq n ASP 182 N 0.43 2.46 0.12 1.98 5.68 -1.26 -0.87 116.55 125.08 1dgq n ASP 182 Ca -0.18 -2.45 -0.15 0.00 -0.50 0.00 0.00 54.79 51.51 1dgq n ASP 182 Cb 0.60 0.03 -0.08 0.00 -1.14 0.00 0.00 41.12 40.54 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 0.75 -1.21 -0.76 2.11 0.04 -1.55 -0.65 116.94 115.67 1dgq h PHE 183 Ca -0.27 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.61 1dgq h PHE 183 Cb 0.94 0.51 -0.06 0.00 2.20 0.00 0.00 35.95 39.54 1dgq h PHE 183 CO 0.00 -0.53 0.43 0.66 -0.60 0.00 0.00 178.31 178.27 1dgq h SER 184 N -0.67 0.63 0.02 2.17 4.64 -0.99 0.11 113.55 119.45 1dgq h SER 184 Ca 0.02 0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.40 1dgq h SER 184 Cb 0.69 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.65 1dgq h SER 184 CO -0.24 0.39 -0.30 0.44 -0.87 0.00 0.00 176.83 176.24 1dgq h ASP 185 N 0.76 -0.90 -0.30 4.97 3.32 -1.72 0.14 116.42 122.69 1dgq h ASP 185 Ca 0.35 0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.58 1dgq h ASP 185 Cb 0.26 0.36 -0.06 0.00 0.22 0.00 0.00 39.33 40.11 1dgq h ASP 185 CO -0.21 -0.37 -0.08 0.22 -1.72 0.00 0.00 179.24 177.08 1dgq h TYR 186 N -0.46 -0.18 -0.93 4.55 3.20 -0.22 0.46 116.97 123.40 1dgq h TYR 186 Ca 0.06 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.03 1dgq h TYR 186 Cb 0.54 0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.87 1dgq h TYR 186 CO -0.32 -0.14 0.58 0.28 -1.64 0.00 0.00 178.16 176.92 1dgq h VAL 187 N -0.01 1.04 0.49 1.81 2.07 -0.33 0.22 116.25 121.54 1dgq h VAL 187 Ca 0.15 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1dgq h VAL 187 Cb 0.23 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1dgq h VAL 187 CO -0.32 0.19 -0.24 0.50 0.02 0.00 0.00 177.57 177.73 1dgq h LYS 188 N 1.04 -0.64 0.06 1.57 3.64 -0.02 -3.38 116.57 118.84 1dgq h LYS 188 Ca 0.41 0.04 -0.30 0.00 -1.27 0.00 0.00 60.65 59.53 1dgq h LYS 188 Cb 0.21 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1dgq h LYS 188 CO -0.19 -0.34 -1.61 -1.49 -2.27 0.00 0.00 179.45 173.56 1dgq h TRP 189 N -1.01 0.25 -6.64 1.91 4.06 -0.75 -3.49 115.95 110.27 1dgq h TRP 189 Ca -0.07 -0.18 -0.53 0.00 2.06 0.00 0.00 58.89 60.17 1dgq h TRP 189 Cb 0.60 -0.01 -0.18 0.00 -1.00 0.00 0.00 29.16 28.57 1dgq h TRP 189 CO 0.01 1.27 -0.81 1.63 -3.56 0.00 0.00 178.44 176.98 1dgq n LYS 190 N -3.30 -3.54 -3.59 0.49 4.76 0.76 -4.97 118.16 108.77 1dgq n LYS 190 Ca -0.17 0.41 -0.13 0.00 -2.87 0.00 0.00 58.31 55.55 1dgq n LYS 190 Cb 1.04 -5.17 -0.12 0.00 -1.84 0.00 0.00 35.03 28.94 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 -3.26 0.37 0.20 4.39 2.15 -1.26 -5.03 116.67 114.23 1dgq s ASP 191 Ca 0.73 0.50 -0.11 0.00 0.43 0.00 0.00 52.55 54.09 1dgq s ASP 191 Cb -0.39 0.84 0.13 0.00 -0.30 0.00 0.00 42.92 43.20 1dgq s ASP 191 CO 0.90 -0.26 1.87 1.55 -0.17 0.00 0.00 175.17 179.05 1dgq h PRO 192 N 8.25 0.91 -0.79 4.34 0.13 -1.92 -0.78 132.00 142.14 1dgq h PRO 192 Ca -0.16 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 64.93 1dgq h PRO 192 Cb 1.12 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 32.01 1dgq h PRO 192 CO 0.17 0.60 0.52 -0.44 -0.23 0.00 0.00 178.00 178.63 1dgq h ASP 193 N 0.93 0.89 0.37 1.44 5.19 -1.96 0.24 116.42 123.52 1dgq h ASP 193 Ca 0.25 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.62 1dgq h ASP 193 Cb -0.10 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.19 1dgq h ASP 193 CO -0.05 0.64 -0.18 0.00 -3.12 0.00 0.00 179.24 176.53 1dgq h ALA 194 N 1.30 -0.50 -0.74 3.45 0.00 -1.90 -3.02 119.26 117.84 1dgq h ALA 194 Ca 0.30 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1dgq h ALA 194 Cb -0.10 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1dgq h ALA 194 CO -0.07 -0.73 0.49 -0.07 0.00 0.00 0.00 179.25 178.87 1dgq h LEU 195 N -0.61 0.80 -0.25 0.00 3.38 -0.35 -1.25 115.31 117.03 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 0.45 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1dgq h LEU 195 CO 0.08 0.56 0.00 0.18 0.09 0.00 0.00 178.44 179.35 1dgq n LEU 196 N -4.44 0.38 0.17 1.67 4.77 0.77 -3.95 117.00 116.36 1dgq n LEU 196 Ca 0.09 -0.14 0.18 0.00 -0.03 0.00 0.00 56.01 56.11 1dgq n LEU 196 Cb 0.09 -0.01 0.80 0.00 -2.33 0.00 0.00 43.42 41.97 1dgq n LEU 196 CO 0.35 0.07 1.16 0.07 -1.33 0.00 0.00 177.39 177.71 1dgq h LYS 197 N 0.56 0.00 0.00 3.23 2.10 -1.09 -1.03 116.57 120.34 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 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 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 -3.79 0.00 -1.76 0.07 -0.00 -1.25 -4.86 115.22 103.63 1dgq n HIS 198 Ca 0.03 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.79 1dgq n HIS 198 Cb 0.42 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.26 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 -2.00 3.19 -0.49 3.57 1.01 -0.39 -4.85 120.40 120.43 1dgq s VAL 199 Ca 0.23 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.45 1dgq s VAL 199 Cb 0.10 -3.18 0.13 0.00 0.00 0.00 0.00 36.38 33.43 1dgq s VAL 199 CO 0.18 -0.07 0.24 -0.54 0.00 0.00 0.00 175.10 174.90 1dgq s LYS 200 N 5.16 1.78 -0.11 2.72 -0.14 -1.26 -5.09 119.74 122.80 1dgq s LYS 200 Ca 0.88 -2.43 -0.32 0.00 -1.36 0.00 0.00 55.97 52.75 1dgq s LYS 200 Cb -0.35 -3.08 -0.09 0.00 -1.68 0.00 0.00 37.83 32.63 1dgq s LYS 200 CO 0.36 -1.11 2.03 1.58 -0.76 0.00 0.00 175.35 177.45 1dgq n HIS 201 N 3.28 2.22 -0.04 3.18 -0.00 -1.26 -4.89 115.22 117.71 1dgq n HIS 201 Ca 0.06 -0.12 -0.12 0.00 0.46 0.00 0.00 57.72 57.99 1dgq n HIS 201 Cb 0.33 -2.71 -0.11 0.00 -0.12 0.00 0.00 29.99 27.39 1dgq n HIS 201 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 1dgq h MET 202 N 11.44 -0.03 -5.41 1.57 2.86 -1.93 -3.49 114.93 119.94 1dgq h MET 202 Ca -0.45 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 56.90 1dgq h MET 202 Cb 1.26 0.01 0.17 0.00 0.06 0.00 0.00 31.60 33.10 1dgq h MET 202 CO 0.96 0.71 -0.75 1.28 1.06 0.00 0.00 176.91 180.17 1dgq n LEU 203 N -4.72 -4.38 0.00 1.22 4.77 0.52 -4.93 117.00 109.48 1dgq n LEU 203 Ca -0.09 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1dgq n LEU 203 Cb 0.37 -3.01 0.00 0.00 -2.33 0.00 0.00 43.42 38.44 1dgq n LEU 203 CO 0.30 0.28 0.00 0.18 -1.33 0.00 0.00 177.39 176.82 1dgq n LEU 204 N -3.72 0.00 0.00 2.23 4.77 -1.26 -4.00 117.00 115.02 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 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1dgq n LEU 204 CO 0.57 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.81 1dgq n LEU 205 N 0.00 0.00 -3.62 2.23 4.77 -1.26 -0.75 117.00 118.37 1dgq n LEU 205 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 1dgq n LEU 205 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1dgq n LEU 205 CO 0.00 -0.34 -0.21 -0.89 -1.33 0.00 0.00 177.39 174.62 1dgq s THR 206 N -0.58 1.36 -1.40 -5.08 2.01 -1.26 -1.92 115.64 108.78 1dgq s THR 206 Ca 0.00 -3.11 -0.09 0.00 0.31 0.00 0.00 61.69 58.81 1dgq s THR 206 Cb 0.00 -1.92 0.08 0.00 0.01 0.00 0.00 72.50 70.66 1dgq s THR 206 CO 0.00 -1.08 2.35 -3.20 -0.69 0.00 0.00 174.62 172.00 1dgq n ASN 207 N 2.76 6.82 -0.10 3.53 2.85 0.51 -0.83 115.26 130.80 1dgq n ASN 207 Ca 0.21 -2.97 -0.11 0.00 -0.11 0.00 0.00 54.58 51.60 1dgq n ASN 207 Cb 0.41 -1.48 -0.04 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 3.19 1.27 0.32 -0.44 2.02 -1.85 0.17 112.91 117.60 1dgq h THR 208 Ca 0.64 -1.04 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 1dgq h THR 208 Cb 0.43 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1dgq h THR 208 CO 1.64 0.33 -0.49 -0.26 0.37 0.00 0.00 175.52 177.11 1dgq h PHE 209 N 0.31 -1.39 -0.82 3.16 0.04 -1.85 0.22 116.94 116.61 1dgq h PHE 209 Ca 0.08 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 1dgq h PHE 209 Cb 0.51 0.57 -0.04 0.00 2.20 0.00 0.00 35.95 39.18 1dgq h PHE 209 CO 0.05 -0.62 0.49 0.78 -0.60 0.00 0.00 178.31 178.40 1dgq h GLY 210 N -0.87 1.19 1.16 -1.45 0.00 -1.79 -0.79 103.07 100.52 1dgq h GLY 210 Ca -0.03 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 1dgq h GLY 210 CO -0.16 0.48 -0.01 0.00 0.00 0.00 0.00 176.54 176.85 1dgq h ALA 211 N 1.41 0.89 -0.10 3.60 0.00 -0.58 0.11 119.26 124.59 1dgq h ALA 211 Ca 0.29 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1dgq h ALA 211 Cb -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1dgq h ALA 211 CO -0.05 0.65 0.06 0.82 0.00 0.00 0.00 179.25 180.73 1dgq h ILE 212 N 0.92 1.06 -0.23 0.00 2.04 0.04 0.46 117.51 121.81 1dgq h ILE 212 Ca 0.16 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.92 1dgq h ILE 212 Cb 0.55 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1dgq h ILE 212 CO 0.03 0.05 -0.06 0.78 0.00 0.00 0.00 178.15 178.95 1dgq h ASN 213 N 0.10 -0.23 -0.13 1.72 2.35 -0.85 0.64 115.58 119.19 1dgq h ASN 213 Ca 0.04 0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.90 1dgq h ASN 213 Cb 0.03 0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 1dgq h ASN 213 CO -0.01 -0.08 -0.31 0.22 -1.65 0.00 0.00 177.43 175.59 1dgq h TYR 214 N -0.01 -0.86 -0.06 1.19 3.20 -0.53 -1.43 116.97 118.47 1dgq h TYR 214 Ca 0.11 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.06 1dgq h TYR 214 Cb 0.18 0.40 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 1dgq h TYR 214 CO -0.24 -0.39 -0.24 0.28 -1.64 0.00 0.00 178.16 175.93 1dgq h VAL 215 N -0.39 0.44 -0.63 1.81 2.07 -0.60 0.25 116.25 119.19 1dgq h VAL 215 Ca 0.09 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.74 1dgq h VAL 215 Cb 0.54 0.44 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 1dgq h VAL 215 CO -0.35 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.37 1dgq h ALA 216 N 0.55 0.76 0.04 1.67 0.00 -0.37 -0.42 119.26 121.49 1dgq h ALA 216 Ca 0.08 0.15 -0.36 0.00 0.00 0.00 0.00 54.91 54.77 1dgq h ALA 216 Cb 0.45 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1dgq h ALA 216 CO -0.25 -0.32 -2.06 0.25 0.00 0.00 0.00 179.25 176.87 1dgq n THR 217 N -5.15 1.60 -0.09 0.00 -2.24 -0.58 -4.31 114.28 103.51 1dgq n THR 217 Ca 0.10 -0.44 -0.22 0.00 -2.27 0.00 0.00 64.05 61.22 1dgq n THR 217 Cb 0.36 -1.75 -0.12 0.00 -2.10 0.00 0.00 70.33 66.71 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 -3.80 0.65 -0.00 -0.78 -0.58 0.84 -4.63 120.64 112.35 1dgq n GLU 218 Ca -0.40 0.27 -0.19 0.00 -0.42 0.00 0.00 57.16 56.42 1dgq n GLU 218 Cb 0.92 -1.60 -0.14 0.00 -0.57 0.00 0.00 31.44 30.05 1dgq n GLU 218 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1dgq h VAL 219 N -0.35 1.40 -0.04 2.62 2.07 -1.27 -3.37 116.25 117.31 1dgq h VAL 219 Ca -0.53 -2.42 -0.64 0.00 0.82 0.00 0.00 66.70 63.92 1dgq h VAL 219 Cb 1.79 3.03 0.03 0.00 -1.52 0.00 0.00 31.29 34.61 1dgq h VAL 219 CO -0.13 0.65 2.36 0.49 0.02 0.00 0.00 177.57 180.95 1dgq n PHE 220 N -4.22 2.20 -4.58 1.57 3.72 -0.23 -4.74 117.46 111.17 1dgq n PHE 220 Ca -0.18 -1.98 -0.22 0.00 -0.05 0.00 0.00 57.45 55.02 1dgq n PHE 220 Cb 0.75 -1.89 -0.15 0.00 -0.94 0.00 0.00 39.48 37.24 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 4.80 1.23 0.21 -1.08 0.52 -1.26 -4.83 118.95 118.54 1dgq s ARG 221 Ca 0.56 -0.44 -0.09 0.00 -0.52 0.00 0.00 55.73 55.24 1dgq s ARG 221 Cb 0.13 -1.13 0.27 0.00 0.52 0.00 0.00 34.95 34.75 1dgq s ARG 221 CO 0.09 0.20 1.78 0.93 0.02 0.00 0.00 175.30 178.32 1dgq h GLU 222 N 6.18 0.55 -0.83 3.54 5.08 -1.89 -0.64 114.58 126.57 1dgq h GLU 222 Ca -0.33 -0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.15 1dgq h GLU 222 Cb 1.17 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.23 1dgq h GLU 222 CO 0.48 0.37 0.55 1.05 -1.00 0.00 0.00 179.01 180.46 1dgq h GLU 223 N 0.57 0.52 -0.00 2.33 9.09 -1.97 0.22 114.58 125.34 1dgq h GLU 223 Ca 0.31 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.69 1dgq h GLU 223 Cb 0.29 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 1dgq h GLU 223 CO -0.24 0.34 -0.06 1.28 0.05 0.00 0.00 179.01 180.38 1dgq n LEU 224 N -4.52 0.27 0.00 3.06 4.77 -0.37 -4.88 117.00 115.33 1dgq n LEU 224 Ca 0.16 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1dgq n LEU 224 Cb 0.53 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1dgq n LEU 224 CO 0.31 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1dgq n GLY 225 N 1.26 1.23 3.57 -0.72 0.00 0.76 -0.41 105.19 110.88 1dgq n GLY 225 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 2.46 0.09 4.61 0.00 -0.46 -4.62 121.76 121.84 1dgq s ALA 226 Ca 0.00 -2.24 -0.31 0.00 0.00 0.00 0.00 51.96 49.41 1dgq s ALA 226 Cb 0.00 -4.59 -0.10 0.00 0.00 0.00 0.00 23.12 18.42 1dgq s ALA 226 CO 0.00 -4.10 1.88 0.54 0.00 0.00 0.00 175.76 174.07 1dgq n ARG 227 N 8.65 2.77 0.25 0.00 1.74 -1.26 -3.91 116.66 124.90 1dgq n ARG 227 Ca 0.41 1.01 0.11 0.00 -0.77 0.00 0.00 57.85 58.61 1dgq n ARG 227 Cb 0.48 -2.92 0.67 0.00 -1.02 0.00 0.00 32.46 29.67 1dgq n ARG 227 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1dgq h PRO 228 N 9.13 0.00 -0.01 5.56 0.13 -1.92 -0.76 132.00 144.13 1dgq h PRO 228 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1dgq h PRO 228 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1dgq h PRO 228 CO 0.94 0.14 -0.00 -0.40 -0.23 0.00 0.00 178.00 178.46 1dgq n ASP 229 N -3.72 0.89 -4.82 1.44 5.75 -1.25 -1.06 116.55 113.79 1dgq n ASP 229 Ca -0.02 -1.29 -0.36 0.00 -0.01 0.00 0.00 54.79 53.11 1dgq n ASP 229 Cb 0.26 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.29 1dgq n ASP 229 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dgq s ALA 230 N -2.00 3.42 0.06 2.12 0.00 -0.29 -1.22 121.76 123.84 1dgq s ALA 230 Ca 0.42 0.15 -0.32 0.00 0.00 0.00 0.00 51.96 52.21 1dgq s ALA 230 Cb 0.21 -2.81 -0.11 0.00 0.00 0.00 0.00 23.12 20.42 1dgq s ALA 230 CO 0.35 0.33 1.84 2.41 0.00 0.00 0.00 175.76 180.70 1dgq n THR 231 N 0.75 0.45 -2.30 0.00 -1.04 0.31 -4.47 114.28 107.98 1dgq n THR 231 Ca -0.03 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.05 61.48 1dgq n THR 231 Cb 0.51 -2.03 0.00 0.00 -1.82 0.00 0.00 70.33 66.99 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 5.98 3.13 -3.43 -2.82 4.76 -1.26 -0.41 118.16 124.11 1dgq n LYS 232 Ca 0.19 -3.12 -0.38 0.00 -2.87 0.00 0.00 58.31 52.13 1dgq n LYS 232 Cb 0.35 -3.33 -0.07 0.00 -1.84 0.00 0.00 35.03 30.14 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 3.27 5.23 -0.37 -0.18 1.01 0.24 -0.58 120.40 129.02 1dgq s VAL 233 Ca 0.49 0.66 0.04 0.00 0.00 0.00 0.00 61.98 63.17 1dgq s VAL 233 Cb 0.07 -3.70 0.10 0.00 0.00 0.00 0.00 36.38 32.86 1dgq s VAL 233 CO 0.01 0.29 0.08 -0.22 0.00 0.00 0.00 175.10 175.26 1dgq s LEU 234 N 1.05 4.65 -0.55 3.92 2.96 0.42 -0.60 118.68 130.52 1dgq s LEU 234 Ca 0.18 -2.29 -0.21 0.00 -0.22 0.00 0.00 54.13 51.60 1dgq s LEU 234 Cb -0.14 -1.62 0.06 0.00 0.50 0.00 0.00 46.19 44.99 1dgq s LEU 234 CO 0.07 -0.36 0.74 -0.63 -1.32 0.00 0.00 176.35 174.86 1dgq s ILE 235 N 0.72 4.70 -0.02 6.68 1.01 0.36 -0.62 121.20 134.02 1dgq s ILE 235 Ca 0.12 -0.40 -0.28 0.00 0.00 0.00 0.00 60.65 60.09 1dgq s ILE 235 Cb -0.20 -4.43 -0.03 0.00 0.01 0.00 0.00 42.46 37.81 1dgq s ILE 235 CO -0.07 -1.00 0.91 -0.63 0.00 0.00 0.00 174.94 174.15 1dgq s ILE 236 N 3.08 4.91 -0.25 2.92 1.01 0.51 -0.58 121.20 132.80 1dgq s ILE 236 Ca 0.18 1.89 0.02 0.00 0.00 0.00 0.00 60.65 62.75 1dgq s ILE 236 Cb -0.18 -4.25 0.06 0.00 0.01 0.00 0.00 42.46 38.10 1dgq s ILE 236 CO 0.12 0.18 -0.09 -0.63 0.00 0.00 0.00 174.94 174.51 1dgq s ILE 237 N 1.01 1.97 -0.02 2.92 1.01 0.06 -0.68 121.20 127.48 1dgq s ILE 237 Ca 0.48 -1.50 -0.07 0.00 0.00 0.00 0.00 60.65 59.56 1dgq s ILE 237 Cb -0.20 -2.12 0.01 0.00 0.01 0.00 0.00 42.46 40.15 1dgq s ILE 237 CO 0.25 -0.04 0.15 0.28 0.00 0.00 0.00 174.94 175.58 1dgq s THR 238 N 1.19 0.06 -0.92 2.92 -1.32 -0.54 -0.31 115.64 116.72 1dgq s THR 238 Ca -0.08 -0.47 0.21 0.00 -1.21 0.00 0.00 61.69 60.14 1dgq s THR 238 Cb -0.20 -0.37 -0.24 0.00 -1.51 0.00 0.00 72.50 70.19 1dgq s THR 238 CO -0.05 -0.26 0.86 -0.90 -2.21 0.00 0.00 174.62 172.06 1dgq n ASP 239 N 1.94 0.92 -4.16 8.08 5.75 -1.26 -0.50 116.55 127.32 1dgq n ASP 239 Ca -0.19 -0.92 -0.17 0.00 -0.01 0.00 0.00 54.79 53.50 1dgq n ASP 239 Cb 0.57 1.08 -0.12 0.00 -1.03 0.00 0.00 41.12 41.62 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 -3.10 0.82 0.85 6.12 0.00 -1.26 -2.03 107.32 108.71 1dgq s GLY 240 Ca 0.07 -1.00 -0.12 0.00 0.00 0.00 0.00 44.72 43.67 1dgq s GLY 240 CO 0.87 -1.04 1.18 -0.54 0.00 0.00 0.00 173.10 173.57 1dgq s GLU 241 N -1.89 1.39 -1.22 2.90 8.01 -1.26 -4.87 118.70 121.76 1dgq s GLU 241 Ca -0.02 1.67 -0.20 0.00 0.01 0.00 0.00 54.97 56.43 1dgq s GLU 241 Cb -0.09 -1.76 0.01 0.00 -4.31 0.00 0.00 34.13 27.98 1dgq s GLU 241 CO 0.02 -2.38 1.79 0.00 0.01 0.00 0.00 175.26 174.70 1dgq s ALA 242 N -2.35 2.67 0.41 5.21 0.00 -1.26 -4.67 121.76 121.77 1dgq s ALA 242 Ca 0.70 -2.54 0.21 0.00 0.00 0.00 0.00 51.96 50.33 1dgq s ALA 242 Cb -0.26 -4.65 1.18 0.00 0.00 0.00 0.00 23.12 19.39 1dgq s ALA 242 CO 0.53 -4.06 1.75 1.79 0.00 0.00 0.00 175.76 175.77 1dgq h THR 243 N 5.95 0.45 0.00 0.00 1.35 -1.32 -1.86 112.91 117.48 1dgq h THR 243 Ca 0.33 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 66.08 1dgq h THR 243 Cb 0.91 0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1dgq h THR 243 CO 1.36 0.06 -0.00 -0.78 -0.25 0.00 0.00 175.52 175.91 1dgq h ASP 244 N 0.32 0.00 -5.72 5.36 3.58 -1.88 -3.46 116.42 114.62 1dgq h ASP 244 Ca 0.63 0.00 -0.42 0.00 0.42 0.00 0.00 57.03 57.66 1dgq h ASP 244 Cb 1.71 0.00 0.09 0.00 1.72 0.00 0.00 39.33 42.85 1dgq h ASP 244 CO -0.31 0.00 -0.68 -1.20 -2.88 0.00 0.00 179.24 174.17 1dgq n SER 245 N -4.13 -6.02 0.00 2.28 7.64 -0.70 -4.98 113.62 107.72 1dgq n SER 245 Ca -0.03 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1dgq n SER 245 Cb 0.08 -4.76 0.00 0.00 -1.01 0.00 0.00 64.21 58.52 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 -1.87 0.56 3.59 0.23 0.00 -1.26 -5.13 105.19 101.31 1dgq n GLY 246 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.02 0.00 1.61 2.20 -1.26 -5.08 114.94 111.39 1dgq s ASN 247 Ca 0.00 -0.98 0.05 0.00 -0.94 0.00 0.00 52.86 50.99 1dgq s ASN 247 Cb 0.00 0.60 0.08 0.00 -2.00 0.00 0.00 41.25 39.93 1dgq s ASN 247 CO 0.00 -1.17 0.98 2.30 -2.94 0.00 0.00 177.10 176.27 1dgq n ILE 248 N -0.40 0.00 -0.37 0.54 -5.35 -1.26 -4.58 119.36 107.94 1dgq n ILE 248 Ca -0.02 -0.18 0.05 0.00 -0.27 0.00 0.00 62.75 62.33 1dgq n ILE 248 Cb 0.62 0.54 0.21 0.00 -1.74 0.00 0.00 39.64 39.27 1dgq n ILE 248 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1dgq h ASP 249 N 0.18 0.99 -1.25 7.28 5.19 -1.98 0.11 116.42 126.95 1dgq h ASP 249 Ca -0.06 0.03 0.37 0.00 -0.62 0.00 0.00 57.03 56.75 1dgq h ASP 249 Cb 1.45 -0.18 -0.10 0.00 0.18 0.00 0.00 39.33 40.68 1dgq h ASP 249 CO 0.01 0.58 0.83 0.00 -3.12 0.00 0.00 179.24 177.54 1dgq h ALA 250 N 1.50 2.70 -0.54 3.45 0.00 -1.96 -0.76 119.26 123.65 1dgq h ALA 250 Ca 0.47 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1dgq h ALA 250 Cb 0.33 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1dgq h ALA 250 CO -0.22 -1.21 0.00 0.00 0.00 0.00 0.00 179.25 177.82 1dgq n ALA 251 N -2.57 2.30 -0.33 0.00 0.00 0.38 -4.74 120.51 115.55 1dgq n ALA 251 Ca 0.32 -1.24 0.19 0.00 0.00 0.00 0.00 53.44 52.71 1dgq n ALA 251 Cb 1.26 -0.68 0.44 0.00 0.00 0.00 0.00 19.45 20.47 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 3.13 0.50 0.00 0.00 2.10 -0.96 0.12 116.57 121.47 1dgq h LYS 252 Ca 0.00 -0.03 -0.15 0.00 -2.00 0.00 0.00 60.65 58.47 1dgq h LYS 252 Cb 0.88 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 32.07 1dgq h LYS 252 CO 0.01 0.33 -0.73 0.22 -2.00 0.00 0.00 179.45 177.28 1dgq h ASP 253 N 0.52 0.00 -3.96 7.07 3.58 -1.85 -3.46 116.42 118.32 1dgq h ASP 253 Ca 0.59 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 57.57 1dgq h ASP 253 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1dgq h ASP 253 CO -0.35 0.73 0.39 -0.63 -2.88 0.00 0.00 179.24 176.50 1dgq s ILE 254 N -3.30 3.93 -0.90 2.25 1.01 0.42 -4.96 121.20 119.66 1dgq s ILE 254 Ca -0.00 1.46 -0.23 0.00 0.00 0.00 0.00 60.65 61.88 1dgq s ILE 254 Cb 0.12 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.89 1dgq s ILE 254 CO 0.78 -0.01 1.32 -0.63 0.00 0.00 0.00 174.94 176.40 1dgq s ILE 255 N -1.72 4.00 -0.93 2.92 -1.09 0.25 -4.84 121.20 119.80 1dgq s ILE 255 Ca 0.57 -0.52 -0.24 0.00 -2.23 0.00 0.00 60.65 58.22 1dgq s ILE 255 Cb -0.19 -4.95 -0.00 0.00 -1.58 0.00 0.00 42.46 35.73 1dgq s ILE 255 CO 0.25 -1.82 1.72 -0.13 -1.23 0.00 0.00 174.94 173.72 1dgq s ARG 256 N 4.81 2.99 0.22 2.79 3.00 -1.26 -0.44 118.95 131.06 1dgq s ARG 256 Ca 0.39 -0.56 -0.25 0.00 0.00 0.00 0.00 55.73 55.31 1dgq s ARG 256 Cb -0.04 -5.11 -0.09 0.00 0.00 0.00 0.00 34.95 29.71 1dgq s ARG 256 CO -0.02 -2.84 0.83 -0.47 0.00 0.00 0.00 175.30 172.80 1dgq s TYR 257 N 7.87 3.84 -0.03 -0.53 6.14 0.21 -1.23 117.35 133.60 1dgq s TYR 257 Ca 0.59 1.67 -0.01 0.00 0.64 0.00 0.00 57.07 59.96 1dgq s TYR 257 Cb -0.04 -2.81 0.03 0.00 0.42 0.00 0.00 41.96 39.56 1dgq s TYR 257 CO -0.03 0.41 0.06 -1.50 0.64 0.00 0.00 175.55 175.14 1dgq s ILE 258 N -1.31 -0.08 -0.40 3.14 2.07 0.18 -0.37 121.20 124.43 1dgq s ILE 258 Ca 0.41 0.29 -0.15 0.00 -1.41 0.00 0.00 60.65 59.78 1dgq s ILE 258 Cb -0.22 -0.13 0.01 0.00 0.13 0.00 0.00 42.46 42.26 1dgq s ILE 258 CO 0.26 0.12 0.34 -0.63 -1.91 0.00 0.00 174.94 173.12 1dgq s ILE 259 N 1.48 5.20 -0.55 2.00 1.01 0.14 -0.62 121.20 129.86 1dgq s ILE 259 Ca -0.04 -0.45 -0.19 0.00 0.00 0.00 0.00 60.65 59.97 1dgq s ILE 259 Cb -0.13 -3.93 0.08 0.00 0.01 0.00 0.00 42.46 38.50 1dgq s ILE 259 CO -0.03 -0.29 0.68 -0.83 0.00 0.00 0.00 174.94 174.46 1dgq s GLY 260 N 1.73 1.76 0.23 6.18 0.00 0.32 -1.47 107.32 116.07 1dgq s GLY 260 Ca 0.08 -1.97 -0.30 0.00 0.00 0.00 0.00 44.72 42.53 1dgq s GLY 260 CO 0.11 1.55 1.26 -0.42 0.00 0.00 0.00 173.10 175.60 1dgq s ILE 261 N 2.71 3.23 0.00 0.90 -1.09 0.35 -0.62 121.20 126.68 1dgq s ILE 261 Ca 0.14 1.07 0.00 0.00 -2.23 0.00 0.00 60.65 59.63 1dgq s ILE 261 Cb -0.21 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1dgq s ILE 261 CO 0.09 0.19 1.49 0.61 -1.23 0.00 0.00 174.94 176.09 1dgq n GLY 262 N 1.93 2.08 0.07 6.18 0.00 0.85 -2.67 105.19 113.62 1dgq n GLY 262 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 1.16 0.00 0.05 1.61 1.79 -1.77 -3.38 116.57 116.03 1dgq h LYS 263 Ca 0.00 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.13 1dgq h LYS 263 Cb 0.85 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.46 1dgq h LYS 263 CO 0.00 0.06 -2.02 0.72 -1.08 0.00 0.00 179.45 177.13 1dgq n HIS 264 N -4.66 0.82 -0.02 -1.35 8.25 -0.86 -4.48 115.22 112.92 1dgq n HIS 264 Ca -0.06 0.23 -0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1dgq n HIS 264 Cb 0.20 -1.13 0.00 0.00 1.12 0.00 0.00 29.99 30.18 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 -3.20 0.03 -0.10 4.41 3.72 -1.09 -1.55 117.46 119.68 1dgq n PHE 265 Ca -0.29 -0.85 -0.13 0.00 -0.05 0.00 0.00 57.45 56.13 1dgq n PHE 265 Cb 1.06 -0.43 -0.11 0.00 -0.94 0.00 0.00 39.48 39.07 1dgq n PHE 265 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1dgq n GLN 266 N 1.15 0.74 -2.47 -1.08 10.64 -1.26 -4.51 117.38 120.59 1dgq n GLN 266 Ca 0.01 0.09 -0.43 0.00 -1.83 0.00 0.00 57.00 54.83 1dgq n GLN 266 Cb 0.50 -1.42 -0.02 0.00 -0.86 0.00 0.00 30.24 28.44 1dgq n GLN 266 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1dgq s THR 267 N -2.41 4.01 0.17 -0.39 -4.23 -0.59 -4.91 115.64 107.28 1dgq s THR 267 Ca -0.23 1.01 -0.06 0.00 -1.18 0.00 0.00 61.69 61.23 1dgq s THR 267 Cb 0.07 -4.42 0.25 0.00 1.34 0.00 0.00 72.50 69.74 1dgq s THR 267 CO 0.53 -0.94 0.97 1.17 -0.54 0.00 0.00 174.62 175.81 1dgq n LYS 268 N 8.08 -0.08 -0.28 3.99 3.00 -1.26 0.57 118.16 132.19 1dgq n LYS 268 Ca 0.14 0.97 0.09 0.00 -0.00 0.00 0.00 58.31 59.50 1dgq n LYS 268 Cb 0.49 -1.44 0.22 0.00 0.00 0.00 0.00 35.03 34.30 1dgq n LYS 268 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1dgq h GLU 269 N 0.00 0.15 0.50 1.64 9.09 -1.95 0.23 114.58 124.25 1dgq h GLU 269 Ca 0.28 -0.01 -0.02 0.00 0.05 0.00 0.00 59.36 59.66 1dgq h GLU 269 Cb 0.43 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 1dgq h GLU 269 CO -0.63 0.10 -0.24 0.77 0.05 0.00 0.00 179.01 179.06 1dgq h SER 270 N 0.16 -0.57 -0.73 3.06 0.02 -0.15 -2.99 113.55 112.33 1dgq h SER 270 Ca 0.48 -0.01 0.17 0.00 -0.84 0.00 0.00 61.79 61.59 1dgq h SER 270 Cb 0.90 0.15 -0.12 0.00 0.14 0.00 0.00 62.40 63.47 1dgq h SER 270 CO -0.66 -0.37 0.08 1.56 -1.14 0.00 0.00 176.83 176.30 1dgq h GLN 271 N -0.73 0.17 -0.71 3.45 7.50 -0.99 0.73 115.11 124.53 1dgq h GLN 271 Ca -0.07 -0.01 0.20 0.00 0.50 0.00 0.00 58.65 59.27 1dgq h GLN 271 Cb 0.54 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 28.00 1dgq h GLN 271 CO 0.11 0.11 0.51 0.93 -1.50 0.00 0.00 178.83 178.99 1dgq h GLU 272 N 0.17 0.07 -0.40 1.46 4.39 -0.87 0.32 114.58 119.72 1dgq h GLU 272 Ca 0.41 -0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.97 1dgq h GLU 272 Cb 0.72 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1dgq h GLU 272 CO -0.59 0.05 -0.28 1.79 -1.16 0.00 0.00 179.01 178.82 1dgq h THR 273 N 0.07 1.27 -0.62 1.13 1.35 -0.83 -2.92 112.91 112.37 1dgq h THR 273 Ca 0.34 -1.43 0.11 0.00 -0.55 0.00 0.00 66.41 64.88 1dgq h THR 273 Cb 1.26 1.26 -0.08 0.00 -1.73 0.00 0.00 68.15 68.86 1dgq h THR 273 CO -0.03 0.48 0.20 -0.07 -0.25 0.00 0.00 175.52 175.85 1dgq h LEU 274 N 0.73 0.16 -1.44 3.87 3.38 -0.92 -0.22 115.31 120.88 1dgq h LEU 274 Ca 0.09 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.25 1dgq h LEU 274 Cb 0.83 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 1dgq h LEU 274 CO 0.07 0.09 0.49 0.45 0.09 0.00 0.00 178.44 179.63 1dgq h HIS 275 N 0.36 0.67 -0.07 1.13 3.86 -1.34 0.11 115.15 119.88 1dgq h HIS 275 Ca 0.32 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.50 1dgq h HIS 275 Cb 0.44 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.70 1dgq h HIS 275 CO -0.19 0.31 -0.15 0.87 0.86 0.00 0.00 177.93 179.62 1dgq h LYS 276 N 0.62 0.23 -0.38 2.45 1.57 -1.01 -3.31 116.57 116.74 1dgq h LYS 276 Ca 0.35 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1dgq h LYS 276 Cb 0.53 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1dgq h LYS 276 CO -0.13 0.74 0.14 0.74 -0.57 0.00 0.00 179.45 180.37 1dgq h PHE 277 N -0.25 0.59 -4.02 -1.35 0.04 -0.62 -3.45 116.94 107.87 1dgq h PHE 277 Ca 0.00 -0.05 -0.49 0.00 2.80 0.00 0.00 57.97 60.23 1dgq h PHE 277 Cb 0.73 -0.17 0.17 0.00 2.20 0.00 0.00 35.95 38.88 1dgq h PHE 277 CO 0.11 0.54 0.21 0.00 -0.60 0.00 0.00 178.31 178.57 1dgq s ALA 278 N -5.49 1.24 0.74 2.45 0.00 0.32 -4.78 121.76 116.24 1dgq s ALA 278 Ca -0.13 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 51.90 1dgq s ALA 278 Cb 0.10 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.96 1dgq s ALA 278 CO 0.75 -2.68 1.09 -1.12 0.00 0.00 0.00 175.76 173.80 1dgq s SER 279 N -3.01 5.03 0.04 0.00 0.01 -0.37 -4.89 113.70 110.51 1dgq s SER 279 Ca 0.65 1.25 0.02 0.00 1.31 0.00 0.00 55.95 59.18 1dgq s SER 279 Cb -0.21 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 1dgq s SER 279 CO 0.59 -1.62 0.06 -0.54 0.41 0.00 0.00 173.24 172.13 1dgq s LYS 280 N -5.24 2.88 0.09 12.44 -0.14 -1.26 -3.51 119.74 124.99 1dgq s LYS 280 Ca 0.59 -0.63 -0.31 0.00 -1.36 0.00 0.00 55.97 54.26 1dgq s LYS 280 Cb -0.13 -2.73 -0.07 0.00 -1.68 0.00 0.00 37.83 33.22 1dgq s LYS 280 CO 0.53 0.60 1.33 -2.14 -0.76 0.00 0.00 175.35 174.91 1dgq s PRO 281 N -2.03 4.35 0.52 -1.68 0.02 -1.26 -4.99 135.00 129.94 1dgq s PRO 281 Ca 0.25 1.97 0.21 0.00 0.02 0.00 0.00 61.00 63.45 1dgq s PRO 281 Cb -0.12 -3.31 1.33 0.00 0.02 0.00 0.00 34.50 32.41 1dgq s PRO 281 CO 0.17 -0.39 2.04 0.00 -0.33 0.00 0.00 177.00 178.48 1dgq h ALA 282 N 6.91 2.31 -0.66 -1.55 0.00 -1.91 0.10 119.26 124.46 1dgq h ALA 282 Ca -0.41 -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 18.97 1dgq h ALA 282 CO 0.85 -0.42 0.44 0.66 0.00 0.00 0.00 179.25 180.79 1dgq h SER 283 N 0.04 0.51 0.09 0.00 4.64 -1.89 0.18 113.55 117.13 1dgq h SER 283 Ca 0.18 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.34 1dgq h SER 283 Cb 0.67 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1dgq h SER 283 CO -0.01 0.31 -0.83 -0.33 -0.87 0.00 0.00 176.83 175.10 1dgq h GLU 284 N 0.57 0.20 0.00 4.77 5.08 -1.17 -3.40 114.58 120.63 1dgq h GLU 284 Ca 0.30 -0.34 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 1dgq h GLU 284 Cb 0.43 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1dgq h GLU 284 CO -0.10 1.16 -1.03 0.74 -1.00 0.00 0.00 179.01 178.78 1dgq h PHE 285 N -0.54 0.00 -3.49 4.33 0.04 -1.15 -3.45 116.94 112.69 1dgq h PHE 285 Ca -0.17 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.00 1dgq h PHE 285 Cb 1.51 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.55 1dgq h PHE 285 CO 0.19 0.71 -0.16 0.08 -0.60 0.00 0.00 178.31 178.52 1dgq s VAL 286 N -2.84 5.18 -0.28 -0.55 1.01 0.61 -0.64 120.40 122.88 1dgq s VAL 286 Ca 0.00 0.76 0.03 0.00 0.00 0.00 0.00 61.98 62.77 1dgq s VAL 286 Cb 0.08 -3.75 0.07 0.00 0.00 0.00 0.00 36.38 32.78 1dgq s VAL 286 CO 0.79 0.23 -0.06 -0.54 0.00 0.00 0.00 175.10 175.52 1dgq s LYS 287 N 1.42 2.12 0.12 2.72 -0.14 0.21 -4.79 119.74 121.41 1dgq s LYS 287 Ca 0.20 -1.44 -0.30 0.00 -1.36 0.00 0.00 55.97 53.06 1dgq s LYS 287 Cb -0.15 -2.99 -0.07 0.00 -1.68 0.00 0.00 37.83 32.94 1dgq s LYS 287 CO 0.08 -0.65 1.18 0.42 -0.76 0.00 0.00 175.35 175.63 1dgq s ILE 288 N 1.08 3.84 -0.27 2.17 -1.09 -1.26 -0.52 121.20 125.15 1dgq s ILE 288 Ca -0.05 1.43 -0.02 0.00 -2.23 0.00 0.00 60.65 59.79 1dgq s ILE 288 Cb -0.20 -3.92 0.09 0.00 -1.58 0.00 0.00 42.46 36.85 1dgq s ILE 288 CO -0.05 0.17 0.08 -0.22 -1.23 0.00 0.00 174.94 173.69 1dgq s LEU 289 N 0.38 1.70 0.27 2.97 2.96 0.20 -4.91 118.68 122.26 1dgq s LEU 289 Ca 0.55 -1.34 -0.00 0.00 -0.22 0.00 0.00 54.13 53.12 1dgq s LEU 289 Cb -0.31 -0.72 0.63 0.00 0.50 0.00 0.00 46.19 46.29 1dgq s LEU 289 CO 0.33 -0.38 1.67 -2.24 -1.32 0.00 0.00 176.35 174.41 1dgq h ASP 290 N 8.18 0.09 -5.06 3.68 3.04 -1.91 0.24 116.42 124.67 1dgq h ASP 290 Ca -0.15 0.17 -0.14 0.00 -3.24 0.00 0.00 57.03 53.66 1dgq h ASP 290 Cb 1.05 0.21 -0.19 0.00 -1.04 0.00 0.00 39.33 39.36 1dgq h ASP 290 CO 0.43 -0.07 -0.61 0.42 -2.04 0.00 0.00 179.24 177.37 1dgq s THR 291 N -5.96 0.13 0.34 1.15 -4.23 -1.26 -3.31 115.64 102.50 1dgq s THR 291 Ca -0.12 -1.08 0.12 0.00 -1.18 0.00 0.00 61.69 59.43 1dgq s THR 291 Cb 0.24 -0.69 0.34 0.00 1.34 0.00 0.00 72.50 73.72 1dgq s THR 291 CO 0.77 -0.60 1.74 -0.26 -0.54 0.00 0.00 174.62 175.73 1dgq h PHE 292 N 4.03 0.90 -0.94 3.99 0.04 -1.96 0.23 116.94 123.23 1dgq h PHE 292 Ca -0.32 0.03 0.28 0.00 2.80 0.00 0.00 57.97 60.76 1dgq h PHE 292 Cb 1.19 -0.26 -0.15 0.00 2.20 0.00 0.00 35.95 38.93 1dgq h PHE 292 CO 0.59 0.06 0.33 0.93 -0.60 0.00 0.00 178.31 179.62 1dgq h GLU 293 N 0.52 0.19 0.00 1.51 3.07 -1.97 0.12 114.58 118.02 1dgq h GLU 293 Ca 0.63 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.48 1dgq h GLU 293 Cb 1.33 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1dgq h GLU 293 CO -0.42 0.12 0.00 1.63 -1.40 0.00 0.00 179.01 178.94 1dgq n LYS 294 N -5.22 0.31 -0.21 2.33 4.76 0.07 -3.61 118.16 116.59 1dgq n LYS 294 Ca 0.26 0.08 0.17 0.00 -2.87 0.00 0.00 58.31 55.94 1dgq n LYS 294 Cb 0.83 -1.50 0.49 0.00 -1.84 0.00 0.00 35.03 33.01 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 0.43 -0.34 -0.35 3.38 -0.86 0.87 115.31 118.45 1dgq h LEU 295 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1dgq h LEU 295 Cb 0.21 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1dgq h LEU 295 CO 0.00 0.20 0.18 0.11 0.09 0.00 0.00 178.44 179.02 1dgq h LYS 296 N 0.45 0.47 0.14 1.13 1.79 -1.78 0.29 116.57 119.06 1dgq h LYS 296 Ca 0.43 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.83 1dgq h LYS 296 Cb 0.97 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1dgq h LYS 296 CO -0.16 0.41 -0.07 0.22 -1.08 0.00 0.00 179.45 178.77 1dgq h ASP 297 N 0.42 -0.16 -0.51 0.86 3.58 -1.28 -1.88 116.42 117.46 1dgq h ASP 297 Ca 0.12 -0.16 0.06 0.00 0.42 0.00 0.00 57.03 57.47 1dgq h ASP 297 Cb 0.08 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.11 1dgq h ASP 297 CO -0.02 0.07 0.20 0.25 -2.88 0.00 0.00 179.24 176.87 1dgq h LEU 298 N -0.38 0.23 -0.18 2.28 5.85 -0.85 0.39 115.31 122.65 1dgq h LEU 298 Ca -0.02 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1dgq h LEU 298 Cb 0.31 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 1dgq h LEU 298 CO 0.03 0.16 -0.33 0.15 -0.34 0.00 0.00 178.44 178.12 1dgq h PHE 299 N 0.40 -0.90 -0.52 1.25 3.57 -0.32 0.18 116.94 120.59 1dgq h PHE 299 Ca 0.24 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.84 1dgq h PHE 299 Cb 0.23 0.42 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 1dgq h PHE 299 CO -0.14 -0.40 0.23 1.15 -2.23 0.00 0.00 178.31 176.91 1dgq h THR 300 N -0.37 0.88 -0.02 4.41 2.02 -0.48 0.22 112.91 119.58 1dgq h THR 300 Ca 0.11 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1dgq h THR 300 Cb 0.55 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1dgq h THR 300 CO -0.39 0.08 -0.04 -0.08 0.37 0.00 0.00 175.52 175.47 1dgq h GLU 301 N 0.44 -0.05 -0.26 6.66 4.81 -0.14 0.53 114.58 126.56 1dgq h GLU 301 Ca 0.24 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1dgq h GLU 301 Cb 0.21 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1dgq h GLU 301 CO -0.21 -0.03 0.05 -0.07 -0.73 0.00 0.00 179.01 178.02 1dgq h LEU 302 N -0.05 0.41 -0.87 1.64 3.38 -0.35 -3.03 115.31 116.43 1dgq h LEU 302 Ca 0.02 -0.25 0.14 0.00 0.09 0.00 0.00 57.88 57.89 1dgq h LEU 302 Cb 0.08 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 1dgq h LEU 302 CO -0.05 0.55 0.48 -0.61 0.09 0.00 0.00 178.44 178.89 1dgq h GLN 303 N 0.25 0.67 -0.98 1.13 5.75 -0.31 0.21 115.11 121.83 1dgq h GLN 303 Ca 0.08 -0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.62 1dgq h GLN 303 Cb 0.31 -0.15 -0.07 0.00 1.07 0.00 0.00 27.48 28.64 1dgq h GLN 303 CO 0.00 0.44 0.62 -0.22 -2.65 0.00 0.00 178.83 177.03 1dgq h LYS 304 N 0.69 1.05 0.19 1.69 1.63 -0.78 0.98 116.57 122.03 1dgq h LYS 304 Ca 0.47 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.20 1dgq h LYS 304 Cb 0.63 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1dgq h LYS 304 CO -0.34 0.70 -0.09 0.87 -3.45 0.00 0.00 179.45 177.13 1dgq h LYS 305 N 1.08 -0.25 -0.89 1.90 1.57 -0.64 -3.25 116.57 116.10 1dgq h LYS 305 Ca 0.44 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.38 1dgq h LYS 305 Cb 0.26 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.56 1dgq h LYS 305 CO -0.20 0.13 0.57 0.82 -0.57 0.00 0.00 179.45 180.20 1dgq h ILE 306 N -0.71 0.84 -1.02 1.86 2.04 -0.56 0.13 117.51 120.10 1dgq h ILE 306 Ca -0.03 -0.24 0.25 0.00 1.00 0.00 0.00 64.86 65.84 1dgq h ILE 306 Cb 0.49 0.08 -0.10 0.00 -0.74 0.00 0.00 36.82 36.56 1dgq h ILE 306 CO 0.04 0.13 0.65 0.22 0.00 0.00 0.00 178.15 179.19 1dgq h TYR 307 N 0.70 0.73 -0.68 1.37 3.20 -0.84 0.13 116.97 121.59 1dgq h TYR 307 Ca 0.44 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.31 1dgq h TYR 307 Cb 0.69 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 1dgq h TYR 307 CO -0.00 0.08 0.30 0.28 -1.64 0.00 0.00 178.16 177.18 1dgq h VAL 308 N 0.45 1.23 -0.07 1.81 2.07 -0.83 0.34 116.25 121.25 1dgq h VAL 308 Ca 0.59 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1dgq h VAL 308 Cb 1.40 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1dgq h VAL 308 CO -0.32 0.28 -0.11 0.40 0.02 0.00 0.00 177.57 177.83 1dgq h ILE 309 N 0.97 1.40 -0.92 4.57 5.03 -0.87 -2.73 117.51 124.96 1dgq h ILE 309 Ca 0.23 -1.38 0.15 0.00 -0.12 0.00 0.00 64.86 63.74 1dgq h ILE 309 Cb 0.14 2.16 -0.08 0.00 -3.03 0.00 0.00 36.82 36.01 1dgq h ILE 309 CO -0.03 0.38 0.59 -0.08 -0.68 0.00 0.00 178.15 178.34 1dgq h GLU 310 N -0.28 0.71 0.00 2.37 4.81 -0.90 -3.46 114.58 117.82 1dgq h GLU 310 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1dgq h GLU 310 Cb 0.68 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1dgq h GLU 310 CO 0.03 0.47 0.00 0.41 -0.73 0.00 0.00 179.01 179.18