#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u46 s THR 118 N 0.00 2.13 0.20 1.96 2.01 -1.26 -4.85 115.64 115.83 1u46 s THR 118 Ca 0.00 -1.03 0.08 0.00 0.31 0.00 0.00 61.69 61.06 1u46 s THR 118 Cb 0.00 -1.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.68 1u46 s THR 118 CO 0.00 0.57 -0.16 0.00 -0.69 0.00 0.00 174.62 174.34 1u46 s LEU 120 N -3.14 4.51 -0.03 0.00 1.43 -1.26 -1.63 118.68 118.56 1u46 s LEU 120 Ca 0.21 1.99 0.06 0.00 -1.03 0.00 0.00 54.13 55.36 1u46 s LEU 120 Cb -0.03 -3.76 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 1u46 s LEU 120 CO 0.08 -0.00 -0.21 -0.63 0.23 0.00 0.00 176.35 175.81 1u46 s ILE 121 N -1.32 1.67 0.19 -0.59 1.01 0.66 -4.87 121.20 117.95 1u46 s ILE 121 Ca 0.45 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 60.00 1u46 s ILE 121 Cb -0.25 -1.40 -0.08 0.00 0.01 0.00 0.00 42.46 40.74 1u46 s ILE 121 CO 0.31 0.47 0.72 -0.83 0.00 0.00 0.00 174.94 175.62 1u46 s GLY 122 N -0.34 2.72 0.67 6.18 0.00 -1.26 -4.22 107.32 111.06 1u46 s GLY 122 Ca 0.04 0.21 0.30 0.00 0.00 0.00 0.00 44.72 45.27 1u46 s GLY 122 CO 0.00 0.63 1.92 -2.09 0.00 0.00 0.00 173.10 173.56 1u46 h GLU 123 N 3.86 0.00 0.00 2.90 4.57 -1.96 -1.59 114.58 122.36 1u46 h GLU 123 Ca -0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1u46 h GLU 123 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1u46 h GLU 123 CO 0.65 0.00 -0.41 0.87 -1.18 0.00 0.00 179.01 178.95 1u46 h LYS 124 N 0.00 0.00 -0.15 1.92 1.57 -2.02 -3.26 116.57 114.63 1u46 h LYS 124 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1u46 h LYS 124 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1u46 h LYS 124 CO -0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 1u46 n ASP 125 N -2.69 1.47 -4.31 0.86 8.00 -0.60 -4.81 116.55 114.47 1u46 n ASP 125 Ca 0.03 -1.68 -0.33 0.00 0.71 0.00 0.00 54.79 53.51 1u46 n ASP 125 Cb 0.51 -0.09 -0.15 0.00 -0.02 0.00 0.00 41.12 41.36 1u46 n ASP 125 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1u46 s LEU 126 N -1.55 2.62 -0.33 0.64 1.43 -1.23 -0.05 118.68 120.20 1u46 s LEU 126 Ca 0.31 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 1u46 s LEU 126 Cb 0.17 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 1u46 s LEU 126 CO 0.25 0.10 0.21 -0.13 0.23 0.00 0.00 176.35 177.02 1u46 s ARG 127 N 0.71 3.41 -0.09 1.70 0.52 0.10 -4.98 118.95 120.31 1u46 s ARG 127 Ca -0.06 -0.69 -0.22 0.00 -0.52 0.00 0.00 55.73 54.23 1u46 s ARG 127 Cb -0.15 -3.72 -0.04 0.00 0.52 0.00 0.00 34.95 31.56 1u46 s ARG 127 CO 0.02 -0.45 0.67 -0.51 0.02 0.00 0.00 175.30 175.05 1u46 s LEU 128 N 1.68 4.29 0.00 2.53 1.43 -1.26 -1.08 118.68 126.27 1u46 s LEU 128 Ca 0.05 1.10 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 1u46 s LEU 128 Cb -0.17 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.03 1u46 s LEU 128 CO 0.09 -0.13 0.00 0.18 0.23 0.00 0.00 176.35 176.72 1u46 n LEU 129 N 3.96 0.00 -4.86 1.79 4.77 0.10 -4.99 117.00 117.77 1u46 n LEU 129 Ca -0.02 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.65 1u46 n LEU 129 Cb 0.51 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1u46 n LEU 129 CO 0.46 0.00 0.71 -1.83 -1.33 0.00 0.00 177.39 175.40 1u46 s GLU 130 N 4.54 3.73 0.39 3.23 1.03 -1.26 -4.61 118.70 125.75 1u46 s GLU 130 Ca 0.00 0.83 -0.27 0.00 0.03 0.00 0.00 54.97 55.56 1u46 s GLU 130 Cb 0.00 -2.10 -0.09 0.00 -0.80 0.00 0.00 34.13 31.14 1u46 s GLU 130 CO 0.00 -0.46 1.30 0.15 -1.33 0.00 0.00 175.26 174.92 1u46 s LYS 131 N -4.75 4.08 -0.16 -4.83 1.02 -1.26 -1.76 119.74 112.07 1u46 s LYS 131 Ca 0.57 2.15 0.13 0.00 0.02 0.00 0.00 55.97 58.84 1u46 s LYS 131 Cb -0.11 -2.84 -0.19 0.00 -0.52 0.00 0.00 37.83 34.17 1u46 s LYS 131 CO 0.45 -0.40 0.03 1.28 -0.92 0.00 0.00 175.35 175.80 1u46 n LEU 132 N 0.30 0.27 0.03 3.17 4.77 0.23 -4.85 117.00 120.92 1u46 n LEU 132 Ca 0.03 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1u46 n LEU 132 Cb 0.43 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1u46 n LEU 132 CO 0.56 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 1u46 n GLY 133 N 2.05 -1.78 0.00 -0.72 0.00 -1.11 -5.02 105.19 98.61 1u46 n GLY 133 Ca -0.27 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1u46 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u46 n GLY 138 N -1.28 0.00 3.80 -0.02 0.00 -1.12 -0.84 105.19 105.73 1u46 n GLY 138 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1u46 n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u46 s VAL 139 N -1.58 4.65 -0.19 1.61 1.01 -1.25 -4.90 120.40 119.76 1u46 s VAL 139 Ca 0.00 1.34 -0.01 0.00 0.00 0.00 0.00 61.98 63.31 1u46 s VAL 139 Cb 0.00 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1u46 s VAL 139 CO 0.00 0.54 -0.12 -0.69 0.00 0.00 0.00 175.10 174.83 1u46 s VAL 140 N -1.08 2.79 0.09 2.92 1.01 -0.02 -1.12 120.40 124.99 1u46 s VAL 140 Ca 0.31 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1u46 s VAL 140 Cb -0.20 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1u46 s VAL 140 CO 0.21 0.48 -0.14 -0.13 0.00 0.00 0.00 175.10 175.53 1u46 s ARG 141 N 1.23 2.05 0.57 2.72 0.52 -0.52 0.77 118.95 126.29 1u46 s ARG 141 Ca 0.03 -1.04 -0.08 0.00 -0.52 0.00 0.00 55.73 54.11 1u46 s ARG 141 Cb -0.14 -2.24 -0.03 0.00 0.52 0.00 0.00 34.95 33.05 1u46 s ARG 141 CO -0.05 0.51 0.93 0.50 0.02 0.00 0.00 175.30 177.21 1u46 s ARG 142 N -1.99 3.50 0.22 3.54 3.52 -0.72 -0.74 118.95 126.28 1u46 s ARG 142 Ca 0.19 0.47 -0.21 0.00 -0.13 0.00 0.00 55.73 56.04 1u46 s ARG 142 Cb -0.11 -2.21 0.07 0.00 -1.56 0.00 0.00 34.95 31.14 1u46 s ARG 142 CO 0.11 -0.45 0.96 0.20 -0.81 0.00 0.00 175.30 175.31 1u46 s GLY 143 N -4.17 0.08 -0.01 8.12 0.00 0.70 -0.72 107.32 111.31 1u46 s GLY 143 Ca 0.52 -0.31 0.06 0.00 0.00 0.00 0.00 44.72 44.98 1u46 s GLY 143 CO 0.50 1.27 -0.18 -0.54 0.00 0.00 0.00 173.10 174.15 1u46 s GLU 144 N -2.50 1.46 -0.20 2.90 2.02 -0.24 -0.97 118.70 121.17 1u46 s GLU 144 Ca 0.18 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.54 1u46 s GLU 144 Cb -0.03 -1.41 0.03 0.00 0.10 0.00 0.00 34.13 32.82 1u46 s GLU 144 CO 0.06 0.39 -0.17 -0.46 0.02 0.00 0.00 175.26 175.09 1u46 s TRP 145 N -0.43 2.88 -0.95 1.61 -0.00 0.31 -0.72 118.94 121.65 1u46 s TRP 145 Ca 0.07 -1.81 -0.20 0.00 -0.00 0.00 0.00 56.10 54.15 1u46 s TRP 145 Cb -0.07 -1.91 0.11 0.00 -0.00 0.00 0.00 33.47 31.60 1u46 s TRP 145 CO -0.01 -0.82 1.21 -0.51 -0.00 0.00 0.00 176.95 176.83 1u46 s ASP 146 N 1.25 6.57 0.84 5.86 1.01 0.93 -0.13 116.67 133.01 1u46 s ASP 146 Ca 0.01 -1.83 -0.12 0.00 0.71 0.00 0.00 52.55 51.33 1u46 s ASP 146 Cb -0.15 -2.45 0.10 0.00 1.01 0.00 0.00 42.92 41.43 1u46 s ASP 146 CO -0.11 -1.21 1.11 0.00 0.21 0.00 0.00 175.17 175.17 1u46 s ALA 147 N 3.40 2.02 0.53 5.23 0.00 -0.56 -4.82 121.76 127.56 1u46 s ALA 147 Ca 0.36 -0.27 0.28 0.00 0.00 0.00 0.00 51.96 52.33 1u46 s ALA 147 Cb -0.04 -3.10 1.68 0.00 0.00 0.00 0.00 23.12 21.67 1u46 s ALA 147 CO -0.09 -1.97 2.19 -1.35 0.00 0.00 0.00 175.76 174.55 1u46 h PRO 148 N -1.26 0.00 -0.21 0.00 0.11 -1.94 -1.97 132.00 126.72 1u46 h PRO 148 Ca -0.48 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.69 1u46 h PRO 148 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1u46 h PRO 148 CO 0.59 0.04 0.17 0.66 -0.21 0.00 0.00 178.00 179.25 1u46 h SER 149 N 0.00 0.00 0.00 -2.05 4.64 -2.00 -3.46 113.55 110.68 1u46 h SER 149 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u46 h SER 149 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1u46 h SER 149 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1u46 n GLY 150 N -1.54 0.94 3.58 -0.77 0.00 -0.74 -5.10 105.19 101.56 1u46 n GLY 150 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1u46 n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u46 s LYS 151 N -0.87 2.38 -0.17 1.61 1.02 -1.26 -4.90 119.74 117.54 1u46 s LYS 151 Ca 0.00 -0.84 -0.23 0.00 0.02 0.00 0.00 55.97 54.92 1u46 s LYS 151 Cb 0.00 -2.41 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 1u46 s LYS 151 CO 0.00 0.57 0.73 0.95 -0.92 0.00 0.00 175.35 176.68 1u46 s THR 152 N -1.06 4.96 -0.17 2.17 -4.23 -1.26 -1.50 115.64 114.55 1u46 s THR 152 Ca 0.18 1.41 -0.05 0.00 -1.18 0.00 0.00 61.69 62.06 1u46 s THR 152 Cb -0.11 -4.04 -0.03 0.00 1.34 0.00 0.00 72.50 69.66 1u46 s THR 152 CO 0.09 0.08 0.00 -0.69 -0.54 0.00 0.00 174.62 173.57 1u46 s VAL 153 N 1.92 4.20 0.10 2.29 1.01 0.82 -4.89 120.40 125.85 1u46 s VAL 153 Ca 0.34 -0.24 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 1u46 s VAL 153 Cb -0.16 -2.87 -0.09 0.00 0.00 0.00 0.00 36.38 33.26 1u46 s VAL 153 CO 0.12 0.47 1.62 -0.44 0.00 0.00 0.00 175.10 176.86 1u46 s SER 154 N 0.50 6.61 0.10 3.32 0.01 -1.26 -0.53 113.70 122.45 1u46 s SER 154 Ca -0.01 2.51 0.02 0.00 1.31 0.00 0.00 55.95 59.79 1u46 s SER 154 Cb -0.14 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 1u46 s SER 154 CO 0.02 -0.86 -0.08 0.68 0.41 0.00 0.00 173.24 173.42 1u46 s VAL 155 N 2.15 0.77 -0.01 3.43 -7.23 -0.14 -3.98 120.40 115.38 1u46 s VAL 155 Ca 0.72 -1.84 -0.02 0.00 -1.81 0.00 0.00 61.98 59.04 1u46 s VAL 155 Cb -0.41 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 1u46 s VAL 155 CO 0.32 -0.78 0.13 0.00 -0.31 0.00 0.00 175.10 174.46 1u46 s ALA 156 N -3.24 3.76 -0.12 1.32 0.00 0.56 -0.22 121.76 123.82 1u46 s ALA 156 Ca 0.10 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 1u46 s ALA 156 Cb 0.03 -1.73 0.04 0.00 0.00 0.00 0.00 23.12 21.45 1u46 s ALA 156 CO -0.03 0.72 -0.02 0.08 0.00 0.00 0.00 175.76 176.50 1u46 s VAL 157 N -1.25 0.71 -0.26 0.00 1.01 0.08 -0.63 120.40 120.06 1u46 s VAL 157 Ca 0.25 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 1u46 s VAL 157 Cb -0.12 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1u46 s VAL 157 CO 0.16 0.18 0.31 -0.75 0.00 0.00 0.00 175.10 175.00 1u46 s LYS 158 N 1.82 4.03 -1.03 2.72 2.20 0.43 -1.44 119.74 128.47 1u46 s LYS 158 Ca 0.03 -0.06 -0.03 0.00 -0.36 0.00 0.00 55.97 55.55 1u46 s LYS 158 Cb -0.14 -3.63 0.30 0.00 -1.51 0.00 0.00 37.83 32.85 1u46 s LYS 158 CO -0.07 -0.18 1.36 0.00 -0.36 0.00 0.00 175.35 176.09 1u46 n MET 171 N 1.38 0.00 -0.08 0.00 1.56 -1.26 -2.79 117.12 115.93 1u46 n MET 171 Ca 0.26 0.00 -0.00 0.00 -0.27 0.00 0.00 57.70 57.69 1u46 n MET 171 Cb 0.35 -0.54 0.27 0.00 2.15 0.00 0.00 33.22 35.45 1u46 n MET 171 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 1u46 h ASP 172 N 0.00 0.64 -0.23 6.12 3.32 -2.05 -2.21 116.42 122.01 1u46 h ASP 172 Ca 0.00 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1u46 h ASP 172 Cb 0.55 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1u46 h ASP 172 CO 0.00 0.61 0.09 0.44 -1.72 0.00 0.00 179.24 178.66 1u46 h ASP 173 N 0.69 0.32 0.04 6.45 3.32 -1.99 -0.32 116.42 124.92 1u46 h ASP 173 Ca 0.16 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1u46 h ASP 173 Cb 0.19 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1u46 h ASP 173 CO -0.01 0.40 -0.13 0.15 -1.72 0.00 0.00 179.24 177.92 1u46 h PHE 174 N 0.22 -0.34 -1.00 4.55 3.04 -1.97 -0.45 116.94 120.99 1u46 h PHE 174 Ca 0.08 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.06 1u46 h PHE 174 Cb 0.18 0.15 -0.05 0.00 2.56 0.00 0.00 35.95 38.78 1u46 h PHE 174 CO -0.01 -0.20 0.66 0.82 -2.02 0.00 0.00 178.31 177.56 1u46 h ILE 175 N -0.24 1.22 -0.38 1.41 2.04 -1.36 0.25 117.51 120.46 1u46 h ILE 175 Ca 0.03 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 1u46 h ILE 175 Cb 0.28 -0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 1u46 h ILE 175 CO -0.11 0.24 0.07 -0.09 0.00 0.00 0.00 178.15 178.26 1u46 h ARG 176 N 1.32 0.62 -0.47 2.37 2.43 -0.68 -1.39 114.38 118.58 1u46 h ARG 176 Ca 0.38 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1u46 h ARG 176 Cb -0.09 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1u46 h ARG 176 CO -0.10 0.68 0.20 1.49 -1.51 0.00 0.00 179.97 180.73 1u46 h GLU 177 N 0.47 0.69 -0.56 0.20 4.81 -0.80 0.20 114.58 119.59 1u46 h GLU 177 Ca 0.12 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1u46 h GLU 177 Cb 0.36 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1u46 h GLU 177 CO 0.01 0.61 0.36 0.28 -0.73 0.00 0.00 179.01 179.53 1u46 h VAL 178 N 0.61 1.15 -0.45 0.32 2.07 -0.85 0.79 116.25 119.90 1u46 h VAL 178 Ca 0.16 -0.31 -0.14 0.00 0.82 0.00 0.00 66.70 67.23 1u46 h VAL 178 Cb 0.17 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1u46 h VAL 178 CO -0.02 0.15 -0.25 0.78 0.02 0.00 0.00 177.57 178.26 1u46 h ASN 179 N 0.76 0.99 -0.09 0.57 2.35 -0.77 -0.16 115.58 119.22 1u46 h ASN 179 Ca 0.20 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1u46 h ASN 179 Cb -0.06 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 1u46 h ASN 179 CO -0.04 1.18 0.05 0.00 -1.65 0.00 0.00 177.43 176.97 1u46 h ALA 180 N 0.88 0.11 0.00 -0.83 0.00 -0.23 -3.11 119.26 116.09 1u46 h ALA 180 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1u46 h ALA 180 Cb 0.83 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1u46 h ALA 180 CO 0.07 -0.41 -0.61 0.52 0.00 0.00 0.00 179.25 178.83 1u46 h MET 181 N 0.10 0.00 -0.40 0.00 2.86 -0.67 -3.23 114.93 113.59 1u46 h MET 181 Ca 0.04 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1u46 h MET 181 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1u46 h MET 181 CO -0.02 0.61 0.23 1.25 1.06 0.00 0.00 176.91 180.04 1u46 h HIS 182 N 0.00 0.44 0.00 -0.22 6.17 -0.95 -2.42 115.15 118.17 1u46 h HIS 182 Ca -0.01 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1u46 h HIS 182 Cb 1.08 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 30.87 1u46 h HIS 182 CO 0.00 0.25 0.00 -1.13 0.71 0.00 0.00 177.93 177.76 1u46 n SER 183 N -4.87 0.12 -4.20 3.26 3.41 -1.22 -4.83 113.62 105.28 1u46 n SER 183 Ca 0.01 -1.27 -0.29 0.00 -0.26 0.00 0.00 58.87 57.07 1u46 n SER 183 Cb 0.06 -0.06 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1u46 n SER 183 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1u46 s LEU 184 N -0.82 2.00 -0.30 1.04 1.43 -0.91 -5.10 118.68 116.02 1u46 s LEU 184 Ca 0.00 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1u46 s LEU 184 Cb 0.00 -1.18 0.17 0.00 0.03 0.00 0.00 46.19 45.21 1u46 s LEU 184 CO 0.00 0.20 0.44 -0.62 0.23 0.00 0.00 176.35 176.60 1u46 s ASP 185 N -0.06 0.09 -0.20 2.29 2.15 -1.26 -4.82 116.67 114.86 1u46 s ASP 185 Ca -0.04 -0.37 -0.18 0.00 0.43 0.00 0.00 52.55 52.40 1u46 s ASP 185 Cb -0.13 1.23 0.05 0.00 -0.30 0.00 0.00 42.92 43.78 1u46 s ASP 185 CO 0.03 -0.34 0.53 -2.28 -0.17 0.00 0.00 175.17 172.94 1u46 s HIS 186 N 2.52 -0.59 0.43 -5.34 2.46 -1.26 -5.06 115.29 108.45 1u46 s HIS 186 Ca 0.10 1.42 0.38 0.00 0.47 0.00 0.00 55.06 57.43 1u46 s HIS 186 Cb -0.12 0.21 1.90 0.00 -0.13 0.00 0.00 32.58 34.44 1u46 s HIS 186 CO -0.28 -0.29 2.19 0.07 -2.47 0.00 0.00 174.74 173.96 1u46 h ARG 187 N 5.41 0.00 -0.55 2.88 0.11 -1.99 -1.69 114.38 118.54 1u46 h ARG 187 Ca -0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.80 1u46 h ARG 187 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1u46 h ARG 187 CO 0.18 0.02 0.00 0.09 0.10 0.00 0.00 179.97 180.36 1u46 n ASN 188 N -3.19 4.80 -4.21 0.08 4.13 -1.26 -4.80 115.26 110.81 1u46 n ASN 188 Ca -0.02 -2.64 -0.29 0.00 1.68 0.00 0.00 54.58 53.32 1u46 n ASN 188 Cb 0.18 -0.58 -0.16 0.00 -1.54 0.00 0.00 39.78 37.67 1u46 n ASN 188 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1u46 s LEU 189 N -2.19 2.00 0.17 3.41 1.43 -0.64 -1.16 118.68 121.70 1u46 s LEU 189 Ca 0.49 -0.44 -0.32 0.00 -1.03 0.00 0.00 54.13 52.84 1u46 s LEU 189 Cb 0.34 -1.19 -0.11 0.00 0.03 0.00 0.00 46.19 45.26 1u46 s LEU 189 CO 0.19 0.20 1.78 -0.38 0.23 0.00 0.00 176.35 178.38 1u46 n ILE 190 N 3.02 0.17 -3.35 -0.59 2.08 -0.70 -4.66 119.36 115.34 1u46 n ILE 190 Ca -0.18 -0.03 -0.37 0.00 0.56 0.00 0.00 62.75 62.73 1u46 n ILE 190 Cb 0.52 -2.06 -0.06 0.00 -0.75 0.00 0.00 39.64 37.29 1u46 n ILE 190 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 1u46 s ARG 191 N 1.90 4.07 -0.14 0.38 3.52 -1.26 -4.97 118.95 122.46 1u46 s ARG 191 Ca 0.78 0.59 -0.24 0.00 -0.13 0.00 0.00 55.73 56.73 1u46 s ARG 191 Cb -0.49 -3.13 -0.02 0.00 -1.56 0.00 0.00 34.95 29.74 1u46 s ARG 191 CO 0.34 0.60 0.77 -1.17 -0.81 0.00 0.00 175.30 175.03 1u46 s LEU 192 N -1.39 4.22 -0.18 -0.88 2.96 -1.26 -1.63 118.68 120.52 1u46 s LEU 192 Ca 0.31 1.15 -0.12 0.00 -0.22 0.00 0.00 54.13 55.24 1u46 s LEU 192 Cb -0.17 -3.15 -0.22 0.00 0.50 0.00 0.00 46.19 43.14 1u46 s LEU 192 CO 0.18 -0.30 0.20 -1.22 -1.32 0.00 0.00 176.35 173.90 1u46 n TYR 193 N 4.75 0.97 -3.89 5.38 0.53 0.54 -4.75 117.16 120.69 1u46 n TYR 193 Ca 0.02 0.29 0.01 0.00 -1.02 0.00 0.00 57.90 57.20 1u46 n TYR 193 Cb 0.50 -1.11 0.01 0.00 -1.03 0.00 0.00 39.34 37.70 1u46 n TYR 193 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1u46 n GLY 194 N 1.74 0.50 2.96 2.72 0.00 -0.60 -2.21 105.19 110.31 1u46 n GLY 194 Ca -0.35 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 1u46 n GLY 194 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u46 s VAL 195 N -2.12 0.38 -0.32 1.61 0.11 -0.65 -0.68 120.40 118.74 1u46 s VAL 195 Ca 0.17 -0.34 -0.11 0.00 -2.93 0.00 0.00 61.98 58.77 1u46 s VAL 195 Cb -0.01 -0.35 -0.01 0.00 -1.53 0.00 0.00 36.38 34.48 1u46 s VAL 195 CO 0.00 0.02 0.18 -0.69 -3.33 0.00 0.00 175.10 171.28 1u46 s VAL 196 N -0.33 4.86 -1.33 2.04 1.01 0.10 -0.24 120.40 126.51 1u46 s VAL 196 Ca -0.00 -0.31 0.21 0.00 0.00 0.00 0.00 61.98 61.88 1u46 s VAL 196 Cb -0.03 -3.47 -0.15 0.00 0.00 0.00 0.00 36.38 32.73 1u46 s VAL 196 CO -0.00 0.06 0.94 0.18 0.00 0.00 0.00 175.10 176.28 1u46 n LEU 197 N 5.02 1.33 -4.65 3.92 4.77 -1.26 -1.76 117.00 124.37 1u46 n LEU 197 Ca -0.14 -0.59 -0.43 0.00 -0.03 0.00 0.00 56.01 54.83 1u46 n LEU 197 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1u46 n LEU 197 CO 0.35 0.29 1.11 0.42 -1.33 0.00 0.00 177.39 178.22 1u46 s THR 198 N -2.76 4.23 0.42 -5.08 -4.23 -1.26 -4.88 115.64 102.08 1u46 s THR 198 Ca 0.11 1.46 -0.23 0.00 -1.18 0.00 0.00 61.69 61.85 1u46 s THR 198 Cb 0.16 -4.02 -0.11 0.00 1.34 0.00 0.00 72.50 69.87 1u46 s THR 198 CO 0.74 -0.21 0.82 -2.65 -0.54 0.00 0.00 174.62 172.78 1u46 n PRO 199 N 6.80 1.00 -2.06 3.99 -0.02 -1.26 -3.98 135.00 139.48 1u46 n PRO 199 Ca 0.14 0.36 -0.40 0.00 -2.02 0.00 0.00 63.50 61.59 1u46 n PRO 199 Cb 0.45 -1.82 -0.01 0.00 -0.02 0.00 0.00 33.50 32.11 1u46 n PRO 199 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1u46 s PRO 200 N -1.86 4.04 0.18 0.52 0.04 -1.26 -5.11 135.00 131.55 1u46 s PRO 200 Ca 0.64 2.18 -0.27 0.00 0.04 0.00 0.00 61.00 63.58 1u46 s PRO 200 Cb -0.58 -2.81 -0.08 0.00 0.04 0.00 0.00 34.50 31.07 1u46 s PRO 200 CO 0.57 -0.44 0.85 -1.64 0.04 0.00 0.00 177.00 176.37 1u46 s MET 201 N -2.16 4.67 0.04 4.56 -1.94 -1.26 -4.92 119.30 118.30 1u46 s MET 201 Ca 0.55 1.29 0.06 0.00 -1.71 0.00 0.00 55.69 55.88 1u46 s MET 201 Cb -0.39 -3.29 -0.02 0.00 2.01 0.00 0.00 34.83 33.14 1u46 s MET 201 CO 0.50 0.50 -0.17 0.15 -0.01 0.00 0.00 175.02 175.99 1u46 s LYS 202 N -0.95 1.13 -0.22 2.03 1.02 -0.72 -4.51 119.74 117.52 1u46 s LYS 202 Ca 0.39 -0.83 -0.09 0.00 0.02 0.00 0.00 55.97 55.46 1u46 s LYS 202 Cb -0.24 -1.18 -0.05 0.00 -0.52 0.00 0.00 37.83 35.84 1u46 s LYS 202 CO 0.28 0.30 0.12 1.41 -0.92 0.00 0.00 175.35 176.54 1u46 s MET 203 N -1.13 4.04 -0.24 1.68 1.75 -0.09 -0.72 119.30 124.59 1u46 s MET 203 Ca 0.04 -0.29 -0.03 0.00 -1.25 0.00 0.00 55.69 54.16 1u46 s MET 203 Cb -0.08 -3.41 0.01 0.00 2.84 0.00 0.00 34.83 34.19 1u46 s MET 203 CO 0.01 0.16 -0.04 0.08 -0.65 0.00 0.00 175.02 174.58 1u46 s VAL 204 N 0.74 3.16 0.30 10.11 1.01 0.14 -0.43 120.40 135.43 1u46 s VAL 204 Ca 0.06 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1u46 s VAL 204 Cb -0.13 -2.53 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 1u46 s VAL 204 CO 0.02 0.29 -0.07 0.42 0.00 0.00 0.00 175.10 175.75 1u46 s THR 205 N 1.41 1.86 -0.05 3.92 -4.23 0.19 -0.34 115.64 118.41 1u46 s THR 205 Ca 0.03 -2.16 -0.38 0.00 -1.18 0.00 0.00 61.69 58.01 1u46 s THR 205 Cb -0.16 -2.51 -0.18 0.00 1.34 0.00 0.00 72.50 70.99 1u46 s THR 205 CO -0.04 -0.27 1.04 1.21 -0.54 0.00 0.00 174.62 176.02 1u46 n GLU 206 N -0.65 0.00 -3.10 3.99 2.13 -0.64 -0.32 120.64 122.04 1u46 n GLU 206 Ca -0.05 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.37 1u46 n GLU 206 Cb 0.63 -1.38 -0.05 0.00 0.27 0.00 0.00 31.44 30.91 1u46 n GLU 206 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1u46 s LEU 207 N 0.28 4.34 -0.56 4.31 2.96 -1.26 -4.09 118.68 124.67 1u46 s LEU 207 Ca 0.85 1.16 -0.17 0.00 -0.22 0.00 0.00 54.13 55.75 1u46 s LEU 207 Cb -1.19 -3.02 0.11 0.00 0.50 0.00 0.00 46.19 42.60 1u46 s LEU 207 CO 0.55 -0.05 0.58 0.00 -1.32 0.00 0.00 176.35 176.11 1u46 s ALA 208 N 0.53 3.54 0.24 5.97 0.00 -1.26 -4.95 121.76 125.84 1u46 s ALA 208 Ca 0.35 -2.37 0.31 0.00 0.00 0.00 0.00 51.96 50.25 1u46 s ALA 208 Cb -0.18 -3.36 1.38 0.00 0.00 0.00 0.00 23.12 20.96 1u46 s ALA 208 CO 0.17 -2.13 2.00 -1.00 0.00 0.00 0.00 175.76 174.80 1u46 h PRO 209 N 9.00 0.00 -0.00 0.00 0.14 -1.71 -1.82 132.00 137.61 1u46 h PRO 209 Ca -0.30 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.84 1u46 h PRO 209 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.24 1u46 h PRO 209 CO 1.05 0.09 -0.10 1.28 0.14 0.00 0.00 178.00 180.46 1u46 n LEU 210 N -3.30 0.59 0.00 1.56 4.77 -0.73 -5.03 117.00 114.86 1u46 n LEU 210 Ca -0.00 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1u46 n LEU 210 Cb 0.30 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1u46 n LEU 210 CO 0.29 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1u46 n GLY 211 N 1.25 -0.59 3.67 -0.72 0.00 -0.69 -4.77 105.19 103.35 1u46 n GLY 211 Ca 0.15 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 1u46 n GLY 211 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u46 s SER 212 N -4.00 6.66 0.20 1.61 0.15 -1.26 -0.96 113.70 116.10 1u46 s SER 212 Ca 0.00 2.31 -0.11 0.00 0.70 0.00 0.00 55.95 58.86 1u46 s SER 212 Cb 0.00 -2.55 0.18 0.00 -1.71 0.00 0.00 66.02 61.95 1u46 s SER 212 CO 0.00 -0.89 1.82 0.25 1.20 0.00 0.00 173.24 175.62 1u46 h LEU 213 N 9.49 0.60 -0.29 3.45 5.85 -1.38 -2.89 115.31 130.15 1u46 h LEU 213 Ca -0.40 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1u46 h LEU 213 Cb 1.19 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1u46 h LEU 213 CO 0.94 0.41 0.19 0.25 -0.34 0.00 0.00 178.44 179.88 1u46 h LEU 214 N 0.73 0.32 -1.06 2.25 5.85 -1.77 0.29 115.31 121.92 1u46 h LEU 214 Ca 0.27 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.99 1u46 h LEU 214 Cb 0.08 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1u46 h LEU 214 CO -0.13 0.23 0.64 0.44 -0.34 0.00 0.00 178.44 179.28 1u46 h ASP 215 N 0.38 1.10 -0.55 1.25 3.32 -1.92 -0.53 116.42 119.47 1u46 h ASP 215 Ca 0.11 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1u46 h ASP 215 Cb -0.04 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 1u46 h ASP 215 CO -0.03 0.79 -0.02 -0.09 -1.72 0.00 0.00 179.24 178.17 1u46 h ARG 216 N 1.30 0.98 -0.16 3.56 2.43 -1.12 -2.79 114.38 118.57 1u46 h ARG 216 Ca 0.35 -0.33 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 1u46 h ARG 216 Cb -0.14 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1u46 h ARG 216 CO -0.08 1.00 -0.33 -0.07 -1.51 0.00 0.00 179.97 178.98 1u46 h LEU 217 N 0.86 0.33 -0.99 3.80 3.38 -0.36 -2.86 115.31 119.46 1u46 h LEU 217 Ca 0.15 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1u46 h LEU 217 Cb 0.57 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1u46 h LEU 217 CO 0.03 0.65 -0.29 0.03 0.09 0.00 0.00 178.44 178.95 1u46 h ARG 218 N 0.28 0.38 0.00 1.13 3.08 -0.85 -2.68 114.38 115.72 1u46 h ARG 218 Ca 0.04 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1u46 h ARG 218 Cb 0.72 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 1u46 h ARG 218 CO 0.05 0.63 -0.05 0.87 -1.07 0.00 0.00 179.97 180.41 1u46 h LYS 219 N 0.33 0.00 -6.98 0.04 1.57 -1.44 -3.48 116.57 106.61 1u46 h LYS 219 Ca 0.05 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.33 1u46 h LYS 219 Cb 0.68 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.03 1u46 h LYS 219 CO 0.05 0.05 0.45 -1.58 -0.57 0.00 0.00 179.45 177.85 1u46 s HIS 220 N -3.23 3.09 -0.49 -1.35 2.46 -1.01 -4.99 115.29 109.76 1u46 s HIS 220 Ca 0.06 1.59 -0.14 0.00 0.47 0.00 0.00 55.06 57.05 1u46 s HIS 220 Cb 0.06 -3.25 0.11 0.00 -0.13 0.00 0.00 32.58 29.36 1u46 s HIS 220 CO 0.67 -1.04 0.41 1.14 -2.47 0.00 0.00 174.74 173.44 1u46 s GLN 221 N -2.55 2.84 -0.22 2.88 0.00 -1.26 -5.02 119.66 116.33 1u46 s GLN 221 Ca 0.60 -1.59 -0.43 0.00 -0.00 0.00 0.00 55.36 53.94 1u46 s GLN 221 Cb -0.25 -4.11 -0.20 0.00 0.00 0.00 0.00 33.01 28.44 1u46 s GLN 221 CO 0.31 -1.17 1.31 0.41 0.00 0.00 0.00 175.29 176.15 1u46 n GLY 222 N 5.13 -0.06 0.88 2.60 0.00 -1.26 -5.24 105.19 107.24 1u46 n GLY 222 Ca -0.12 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1u46 n GLY 222 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1u46 n LEU 225 N 2.63 -0.94 -0.07 0.99 -0.00 -1.26 -5.20 117.00 113.15 1u46 n LEU 225 Ca 0.25 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.16 1u46 n LEU 225 Cb 0.02 -0.27 -0.03 0.00 -0.00 0.00 0.00 43.42 43.14 1u46 n LEU 225 CO 0.74 0.00 0.95 -0.07 -0.00 0.00 0.00 177.39 179.01 1u46 h LEU 226 N 0.00 0.30 -0.91 1.47 3.38 -1.99 0.18 115.31 117.74 1u46 h LEU 226 Ca 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1u46 h LEU 226 Cb 0.54 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1u46 h LEU 226 CO 0.00 0.26 0.53 1.23 0.09 0.00 0.00 178.44 180.55 1u46 h GLY 227 N 0.31 1.35 0.87 0.83 0.00 -1.96 -1.94 103.07 102.53 1u46 h GLY 227 Ca 0.09 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1u46 h GLY 227 CO -0.02 0.56 0.06 -0.84 0.00 0.00 0.00 176.54 176.30 1u46 h THR 228 N 1.27 1.21 -0.48 4.70 2.02 -1.86 -1.53 112.91 118.24 1u46 h THR 228 Ca 0.33 -0.69 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 1u46 h THR 228 Cb -0.01 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1u46 h THR 228 CO -0.06 0.22 0.07 -0.07 0.37 0.00 0.00 175.52 176.06 1u46 h LEU 229 N 0.20 0.71 -0.80 2.58 3.38 -0.83 -1.72 115.31 118.83 1u46 h LEU 229 Ca 0.07 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1u46 h LEU 229 Cb 0.28 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1u46 h LEU 229 CO 0.00 0.73 -0.08 0.28 0.09 0.00 0.00 178.44 179.46 1u46 h SER 230 N 0.72 0.80 -0.39 -0.43 0.02 -1.14 0.44 113.55 113.57 1u46 h SER 230 Ca 0.15 -0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 1u46 h SER 230 Cb 0.34 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1u46 h SER 230 CO 0.01 0.92 -0.09 0.03 -1.14 0.00 0.00 176.83 176.55 1u46 h ARG 231 N 0.75 0.75 -0.51 3.45 3.08 -1.13 -2.03 114.38 118.73 1u46 h ARG 231 Ca 0.13 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 1u46 h ARG 231 Cb 0.57 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1u46 h ARG 231 CO 0.03 0.88 0.18 1.88 -1.07 0.00 0.00 179.97 181.88 1u46 h TYR 232 N 0.55 0.81 -0.65 3.04 0.05 -1.06 -2.55 116.97 117.17 1u46 h TYR 232 Ca 0.10 -0.07 0.12 0.00 0.05 0.00 0.00 58.73 58.93 1u46 h TYR 232 Cb 0.61 -0.24 -0.09 0.00 1.01 0.00 0.00 36.73 38.02 1u46 h TYR 232 CO 0.05 0.69 0.17 0.00 -1.05 0.00 0.00 178.16 178.02 1u46 h ALA 233 N 1.03 0.81 -0.49 3.88 0.00 -0.84 -0.61 119.26 123.04 1u46 h ALA 233 Ca 0.17 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.29 1u46 h ALA 233 Cb 0.24 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1u46 h ALA 233 CO -0.01 -0.29 0.13 0.28 0.00 0.00 0.00 179.25 179.37 1u46 h VAL 234 N 0.30 0.77 -0.47 0.00 2.07 -1.16 -1.39 116.25 116.36 1u46 h VAL 234 Ca 0.35 -0.10 -0.13 0.00 0.82 0.00 0.00 66.70 67.64 1u46 h VAL 234 Cb 0.53 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1u46 h VAL 234 CO -0.42 0.05 -0.22 1.56 0.02 0.00 0.00 177.57 178.57 1u46 h GLN 235 N 0.28 0.98 -0.25 1.57 4.20 -0.92 -1.07 115.11 119.90 1u46 h GLN 235 Ca 0.24 -0.42 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 1u46 h GLN 235 Cb 0.30 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1u46 h GLN 235 CO -0.29 1.10 0.14 0.28 -0.67 0.00 0.00 178.83 179.39 1u46 h VAL 236 N 0.83 1.11 -1.00 -0.54 2.07 -1.05 -1.00 116.25 116.68 1u46 h VAL 236 Ca 0.11 -0.29 0.23 0.00 0.82 0.00 0.00 66.70 67.57 1u46 h VAL 236 Cb 0.80 0.85 -0.09 0.00 -1.52 0.00 0.00 31.29 31.33 1u46 h VAL 236 CO 0.07 0.11 0.64 0.00 0.02 0.00 0.00 177.57 178.40 1u46 h ALA 237 N 1.03 2.07 -0.00 1.67 0.00 -0.83 -0.60 119.26 122.59 1u46 h ALA 237 Ca 0.09 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 1u46 h ALA 237 Cb 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1u46 h ALA 237 CO -0.01 -0.45 -0.62 0.93 0.00 0.00 0.00 179.25 179.10 1u46 h GLU 238 N 0.49 0.42 -0.77 0.00 5.08 -0.46 0.17 114.58 119.51 1u46 h GLU 238 Ca 0.56 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1u46 h GLU 238 Cb 1.27 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.61 1u46 h GLU 238 CO -0.30 1.11 0.50 0.78 -1.00 0.00 0.00 179.01 180.10 1u46 h GLY 239 N -0.09 1.10 1.77 -3.84 0.00 -1.06 -1.05 103.07 99.90 1u46 h GLY 239 Ca -0.08 -0.42 -0.21 0.00 0.00 0.00 0.00 47.33 46.62 1u46 h GLY 239 CO 0.12 0.42 -0.93 -0.33 0.00 0.00 0.00 176.54 175.82 1u46 h MET 240 N 1.06 0.20 -0.23 4.80 2.86 -0.99 -2.76 114.93 119.87 1u46 h MET 240 Ca 0.28 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1u46 h MET 240 Cb -0.10 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1u46 h MET 240 CO -0.06 0.99 -0.01 0.78 1.06 0.00 0.00 176.91 179.67 1u46 h GLY 241 N 1.89 0.37 0.69 8.32 0.00 -0.01 -0.17 103.07 114.15 1u46 h GLY 241 Ca -0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1u46 h GLY 241 CO 0.14 0.19 -0.09 -1.82 0.00 0.00 0.00 176.54 174.96 1u46 h TYR 242 N 0.33 0.30 -0.50 5.60 3.20 -1.11 -0.69 116.97 124.11 1u46 h TYR 242 Ca 0.08 -0.08 0.07 0.00 3.14 0.00 0.00 58.73 61.93 1u46 h TYR 242 Cb 0.25 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 1u46 h TYR 242 CO 0.01 0.64 0.16 -0.07 -1.64 0.00 0.00 178.16 177.26 1u46 h LEU 243 N -0.13 0.14 -0.58 2.82 3.38 -1.19 -2.01 115.31 117.75 1u46 h LEU 243 Ca 0.02 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1u46 h LEU 243 Cb 0.58 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1u46 h LEU 243 CO 0.02 0.11 0.36 -0.08 0.09 0.00 0.00 178.44 178.95 1u46 h GLU 244 N 0.33 0.71 -0.60 1.13 4.81 -0.96 -0.82 114.58 119.18 1u46 h GLU 244 Ca 0.24 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.51 1u46 h GLU 244 Cb 0.27 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1u46 h GLU 244 CO -0.26 0.47 0.40 0.66 -0.73 0.00 0.00 179.01 179.55 1u46 h SER 245 N 0.73 0.45 -0.43 1.04 4.64 -0.43 -1.31 113.55 118.23 1u46 h SER 245 Ca 0.23 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1u46 h SER 245 Cb -0.02 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1u46 h SER 245 CO -0.08 0.28 0.00 0.29 -0.87 0.00 0.00 176.83 176.45 1u46 n LYS 246 N -4.48 2.75 -2.51 4.77 5.02 -0.71 -4.93 118.16 118.08 1u46 n LYS 246 Ca 0.09 -1.87 -0.17 0.00 -2.02 0.00 0.00 58.31 54.33 1u46 n LYS 246 Cb 0.30 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1u46 n LYS 246 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1u46 n ARG 247 N 0.69 -2.24 -3.84 1.97 1.74 -0.49 -4.87 116.66 109.61 1u46 n ARG 247 Ca 0.17 0.80 -0.37 0.00 -0.77 0.00 0.00 57.85 57.69 1u46 n ARG 247 Cb 0.61 -5.27 -0.06 0.00 -1.02 0.00 0.00 32.46 26.72 1u46 n ARG 247 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1u46 s PHE 248 N -2.92 3.55 -0.14 -1.55 0.08 -0.40 -0.41 117.98 116.20 1u46 s PHE 248 Ca 0.08 0.49 -0.01 0.00 0.12 0.00 0.00 56.93 57.61 1u46 s PHE 248 Cb -0.04 -2.00 -0.01 0.00 -0.57 0.00 0.00 43.02 40.40 1u46 s PHE 248 CO 0.10 0.63 -0.12 0.96 -0.10 0.00 0.00 175.22 176.68 1u46 s ILE 249 N -0.68 3.04 -0.04 0.64 -4.36 -0.26 -4.00 121.20 115.55 1u46 s ILE 249 Ca 0.13 -0.65 -0.25 0.00 -0.26 0.00 0.00 60.65 59.62 1u46 s ILE 249 Cb -0.12 -2.29 -0.21 0.00 1.25 0.00 0.00 42.46 41.09 1u46 s ILE 249 CO 0.03 0.51 1.13 -0.74 0.24 0.00 0.00 174.94 176.11 1u46 h HIS 250 N 6.94 0.14 0.00 1.37 -0.00 -1.89 -1.58 115.15 120.12 1u46 h HIS 250 Ca -0.28 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.03 1u46 h HIS 250 Cb 1.20 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 1u46 h HIS 250 CO 0.51 0.74 0.00 0.54 -0.00 0.00 0.00 177.93 179.72 1u46 n ARG 251 N -4.67 0.00 -2.65 5.26 1.74 -1.26 -2.81 116.66 112.27 1u46 n ARG 251 Ca -0.09 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.99 1u46 n ARG 251 Cb 0.38 -2.77 0.07 0.00 -1.02 0.00 0.00 32.46 29.12 1u46 n ARG 251 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1u46 n ASP 252 N 0.00 0.43 -4.71 0.55 2.03 -1.26 -4.95 116.55 108.64 1u46 n ASP 252 Ca 0.00 -2.09 -0.42 0.00 0.52 0.00 0.00 54.79 52.80 1u46 n ASP 252 Cb 0.00 -0.05 -0.03 0.00 -0.72 0.00 0.00 41.12 40.32 1u46 n ASP 252 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1u46 s LEU 253 N -3.59 4.38 0.10 -2.67 2.96 -1.26 -4.88 118.68 113.72 1u46 s LEU 253 Ca 0.20 1.91 -0.25 0.00 -0.22 0.00 0.00 54.13 55.77 1u46 s LEU 253 Cb 0.36 -3.58 0.08 0.00 0.50 0.00 0.00 46.19 43.55 1u46 s LEU 253 CO -0.08 -0.39 0.75 0.00 -1.32 0.00 0.00 176.35 175.31 1u46 s ALA 254 N 0.96 -1.67 0.45 5.97 0.00 -1.26 -4.76 121.76 121.45 1u46 s ALA 254 Ca 0.56 0.62 0.12 0.00 0.00 0.00 0.00 51.96 53.26 1u46 s ALA 254 Cb -0.27 0.68 1.01 0.00 0.00 0.00 0.00 23.12 24.54 1u46 s ALA 254 CO 0.29 -0.77 2.04 0.00 0.00 0.00 0.00 175.76 177.32 1u46 h ALA 255 N 2.00 1.76 0.00 0.00 0.00 -1.92 -1.76 119.26 119.34 1u46 h ALA 255 Ca -0.28 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1u46 h ALA 255 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1u46 h ALA 255 CO 0.33 0.19 0.11 0.07 0.00 0.00 0.00 179.25 179.95 1u46 h ARG 256 N 0.18 0.00 -0.49 0.00 0.11 -1.96 -1.58 114.38 110.63 1u46 h ARG 256 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 1u46 h ARG 256 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 1u46 h ARG 256 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 1u46 n ASN 257 N -2.82 3.54 -4.66 0.08 3.02 -0.66 -4.86 115.26 108.90 1u46 n ASN 257 Ca -0.02 -1.99 -0.36 0.00 -0.03 0.00 0.00 54.58 52.17 1u46 n ASN 257 Cb 0.16 -0.32 -0.09 0.00 -0.61 0.00 0.00 39.78 38.92 1u46 n ASN 257 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1u46 s LEU 258 N -1.33 4.12 -0.05 3.41 1.43 -0.59 -0.79 118.68 124.87 1u46 s LEU 258 Ca 0.42 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 1u46 s LEU 258 Cb 0.23 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 1u46 s LEU 258 CO 0.32 0.07 -0.13 -0.76 0.23 0.00 0.00 176.35 176.08 1u46 s LEU 259 N 1.02 2.80 -0.44 1.79 1.43 0.14 -1.12 118.68 124.30 1u46 s LEU 259 Ca 0.08 -0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 52.79 1u46 s LEU 259 Cb -0.13 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1u46 s LEU 259 CO 0.04 0.34 0.66 -0.76 0.23 0.00 0.00 176.35 176.87 1u46 s LEU 260 N -0.78 4.47 -0.00 1.79 1.43 -0.13 0.09 118.68 125.55 1u46 s LEU 260 Ca 0.12 -0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 52.67 1u46 s LEU 260 Cb -0.11 -2.76 -0.18 0.00 0.03 0.00 0.00 46.19 43.17 1u46 s LEU 260 CO 0.01 -0.80 1.26 0.00 0.23 0.00 0.00 176.35 177.05 1u46 h ALA 261 N 8.89 0.10 -2.38 4.21 0.00 -1.58 -1.93 119.26 126.56 1u46 h ALA 261 Ca -0.25 -0.32 -0.47 0.00 0.00 0.00 0.00 54.91 53.87 1u46 h ALA 261 Cb 1.09 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 1u46 h ALA 261 CO 0.90 -0.05 -0.52 0.95 0.00 0.00 0.00 179.25 180.53 1u46 s THR 262 N -4.07 0.26 0.61 0.00 -4.23 -1.14 -4.10 115.64 102.97 1u46 s THR 262 Ca -0.15 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 58.70 1u46 s THR 262 Cb 0.03 -2.46 0.38 0.00 1.34 0.00 0.00 72.50 71.79 1u46 s THR 262 CO 0.72 0.00 2.29 0.03 -0.54 0.00 0.00 174.62 177.12 1u46 h ARG 263 N 2.09 0.00 0.00 3.99 3.08 -2.01 -2.99 114.38 118.54 1u46 h ARG 263 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1u46 h ARG 263 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1u46 h ARG 263 CO 0.47 0.00 -1.53 -0.25 -1.07 0.00 0.00 179.97 177.59 1u46 n ASP 264 N -3.61 0.67 -4.14 7.04 8.00 -1.26 -4.97 116.55 118.29 1u46 n ASP 264 Ca -0.03 -0.33 -0.33 0.00 0.71 0.00 0.00 54.79 54.80 1u46 n ASP 264 Cb 0.08 1.57 -0.16 0.00 -0.02 0.00 0.00 41.12 42.60 1u46 n ASP 264 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1u46 s LEU 265 N -3.83 2.40 0.07 0.64 2.96 -1.13 -4.90 118.68 114.89 1u46 s LEU 265 Ca -0.02 -0.71 0.04 0.00 -0.22 0.00 0.00 54.13 53.22 1u46 s LEU 265 Cb 0.13 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 1u46 s LEU 265 CO 0.80 -0.03 -0.01 0.54 -1.32 0.00 0.00 176.35 176.33 1u46 s VAL 266 N 1.29 3.99 0.00 1.68 0.11 -1.26 -1.53 120.40 124.69 1u46 s VAL 266 Ca 0.03 -0.91 0.01 0.00 -2.93 0.00 0.00 61.98 58.18 1u46 s VAL 266 Cb -0.14 -2.86 -0.01 0.00 -1.53 0.00 0.00 36.38 31.84 1u46 s VAL 266 CO -0.11 0.19 -0.05 -0.54 -3.33 0.00 0.00 175.10 171.26 1u46 s LYS 267 N -2.10 0.38 -0.08 1.54 1.02 0.11 -4.54 119.74 116.06 1u46 s LYS 267 Ca 0.24 -0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.67 1u46 s LYS 267 Cb -0.12 -0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 36.86 1u46 s LYS 267 CO 0.16 0.08 1.03 0.42 -0.92 0.00 0.00 175.35 176.12 1u46 s ILE 268 N -0.35 4.71 0.00 2.17 1.01 -0.31 0.26 121.20 128.69 1u46 s ILE 268 Ca -0.01 1.97 0.00 0.00 0.00 0.00 0.00 60.65 62.61 1u46 s ILE 268 Cb -0.03 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.17 1u46 s ILE 268 CO -0.00 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.58 1u46 n GLY 269 N 3.11 3.63 3.28 6.18 0.00 0.03 -1.72 105.19 119.69 1u46 n GLY 269 Ca 0.09 -2.07 -0.15 0.00 0.00 0.00 0.00 46.02 43.89 1u46 n GLY 269 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u46 n ASP 270 N -0.56 -6.04 -1.91 1.61 4.64 -1.26 -4.88 116.55 108.14 1u46 n ASP 270 Ca 0.00 0.18 -0.10 0.00 -1.38 0.00 0.00 54.79 53.48 1u46 n ASP 270 Cb 0.00 -1.55 0.23 0.00 -1.04 0.00 0.00 41.12 38.75 1u46 n ASP 270 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1u46 n PHE 271 N 0.72 2.30 0.41 -0.67 3.01 -1.26 -4.56 117.46 117.41 1u46 n PHE 271 Ca -0.03 -1.26 0.13 0.00 1.01 0.00 0.00 57.45 57.30 1u46 n PHE 271 Cb 0.56 -0.70 0.48 0.00 -0.01 0.00 0.00 39.48 39.81 1u46 n PHE 271 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1u46 h GLY 272 N 2.49 0.00 -1.02 1.37 0.00 -1.90 -1.76 103.07 102.24 1u46 h GLY 272 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1u46 h GLY 272 CO 0.75 0.00 -0.10 1.04 0.00 0.00 0.00 176.54 178.22 1u46 n LEU 273 N -2.52 2.00 -4.77 3.11 4.77 -1.26 -4.95 117.00 113.38 1u46 n LEU 273 Ca 0.03 -0.92 -0.41 0.00 -0.03 0.00 0.00 56.01 54.68 1u46 n LEU 273 Cb 0.33 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1u46 n LEU 273 CO 0.26 0.37 1.08 -0.32 -1.33 0.00 0.00 177.39 177.45 1u46 s MET 274 N -1.43 4.22 0.00 3.23 1.75 -0.66 -4.70 119.30 121.72 1u46 s MET 274 Ca 0.16 2.41 0.01 0.00 -1.25 0.00 0.00 55.69 57.01 1u46 s MET 274 Cb 0.12 -3.03 -0.00 0.00 2.84 0.00 0.00 34.83 34.76 1u46 s MET 274 CO 0.25 -0.40 -0.02 1.03 -0.65 0.00 0.00 175.02 175.23 1u46 s ARG 275 N -1.65 0.17 0.24 4.11 1.81 -0.59 -4.87 118.95 118.15 1u46 s ARG 275 Ca 0.53 -0.14 -0.30 0.00 -1.72 0.00 0.00 55.73 54.10 1u46 s ARG 275 Cb -0.43 -0.11 -0.09 0.00 -0.45 0.00 0.00 34.95 33.86 1u46 s ARG 275 CO 0.56 0.03 1.08 0.00 -0.68 0.00 0.00 175.30 176.28 1u46 s ALA 276 N -0.23 3.39 0.04 2.13 0.00 -1.26 -1.10 121.76 124.72 1u46 s ALA 276 Ca -0.01 0.83 -0.29 0.00 0.00 0.00 0.00 51.96 52.49 1u46 s ALA 276 Cb -0.02 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1u46 s ALA 276 CO -0.00 -0.13 0.94 -0.51 0.00 0.00 0.00 175.76 176.06 1u46 s LEU 277 N -1.02 4.42 0.59 0.00 1.43 0.46 -4.94 118.68 119.62 1u46 s LEU 277 Ca 0.46 1.66 -0.19 0.00 -1.03 0.00 0.00 54.13 55.04 1u46 s LEU 277 Cb -0.30 -3.52 -0.05 0.00 0.03 0.00 0.00 46.19 42.35 1u46 s LEU 277 CO 0.38 -0.15 0.95 -2.65 0.23 0.00 0.00 176.35 175.10 1u46 n PRO 278 N 3.38 0.90 -0.33 1.29 -0.02 -1.26 -4.88 135.00 134.07 1u46 n PRO 278 Ca 0.03 0.35 0.17 0.00 -2.02 0.00 0.00 63.50 62.03 1u46 n PRO 278 Cb 0.50 -2.14 0.37 0.00 -0.02 0.00 0.00 33.50 32.21 1u46 n PRO 278 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1u46 h GLN 279 N 0.52 0.50 0.00 -0.52 7.50 -1.99 -1.38 115.11 119.75 1u46 h GLN 279 Ca -0.48 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 58.64 1u46 h GLN 279 Cb 1.36 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 28.78 1u46 h GLN 279 CO 0.51 0.33 0.00 0.09 -1.50 0.00 0.00 178.83 178.26 1u46 n ASN 280 N -4.94 0.00 -4.25 1.46 3.02 -1.26 -4.88 115.26 104.42 1u46 n ASN 280 Ca 0.26 -0.52 -0.18 0.00 -0.03 0.00 0.00 54.58 54.12 1u46 n ASN 280 Cb 0.74 -0.14 -0.11 0.00 -0.61 0.00 0.00 39.78 39.65 1u46 n ASN 280 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1u46 s ASP 281 N -2.29 2.00 0.00 6.41 1.01 -0.52 -5.02 116.67 118.27 1u46 s ASP 281 Ca 0.35 -0.84 0.02 0.00 0.71 0.00 0.00 52.55 52.80 1u46 s ASP 281 Cb 0.19 -0.07 0.06 0.00 1.01 0.00 0.00 42.92 44.12 1u46 s ASP 281 CO 0.38 -0.16 1.01 -0.90 0.21 0.00 0.00 175.17 175.71 1u46 n ASP 282 N 0.42 2.10 -3.78 0.27 5.68 -1.26 -4.55 116.55 115.42 1u46 n ASP 282 Ca -0.15 -1.91 -0.10 0.00 -0.50 0.00 0.00 54.79 52.14 1u46 n ASP 282 Cb 0.57 -0.04 -0.06 0.00 -1.14 0.00 0.00 41.12 40.45 1u46 n ASP 282 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1u46 s HIS 283 N -0.92 0.04 -0.08 2.11 -3.43 -1.26 -4.45 115.29 107.31 1u46 s HIS 283 Ca 0.05 -0.40 -0.05 0.00 -0.80 0.00 0.00 55.06 53.86 1u46 s HIS 283 Cb 0.03 0.15 0.03 0.00 -1.43 0.00 0.00 32.58 31.35 1u46 s HIS 283 CO 0.03 -0.72 0.18 -0.47 -2.00 0.00 0.00 174.74 171.76 1u46 s TYR 284 N -3.87 -0.22 -0.25 0.38 6.14 -0.49 -4.95 117.35 114.08 1u46 s TYR 284 Ca 0.08 0.56 -0.11 0.00 0.64 0.00 0.00 57.07 58.24 1u46 s TYR 284 Cb 0.02 0.01 -0.05 0.00 0.42 0.00 0.00 41.96 42.36 1u46 s TYR 284 CO -0.07 -0.16 0.17 0.08 0.64 0.00 0.00 175.55 176.22 1u46 s VAL 285 N 0.78 5.33 0.17 3.14 1.01 -1.26 -0.80 120.40 128.79 1u46 s VAL 285 Ca -0.06 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1u46 s VAL 285 Cb -0.07 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 1u46 s VAL 285 CO -0.04 0.32 1.21 -0.32 0.00 0.00 0.00 175.10 176.26 1u46 s MET 286 N 1.28 4.47 0.65 2.72 1.75 -0.28 -5.00 119.30 124.89 1u46 s MET 286 Ca 0.07 1.88 -0.18 0.00 -1.25 0.00 0.00 55.69 56.22 1u46 s MET 286 Cb -0.14 -3.25 -0.01 0.00 2.84 0.00 0.00 34.83 34.27 1u46 s MET 286 CO 0.06 -0.12 1.28 -0.65 -0.65 0.00 0.00 175.02 174.95 1u46 s GLN 287 N -0.08 2.56 0.50 4.11 -0.21 -1.26 -4.91 119.66 120.36 1u46 s GLN 287 Ca 0.54 2.04 0.22 0.00 0.02 0.00 0.00 55.36 58.17 1u46 s GLN 287 Cb -0.33 -1.85 1.29 0.00 1.00 0.00 0.00 33.01 33.13 1u46 s GLN 287 CO 0.36 -1.59 2.06 0.93 -2.12 0.00 0.00 175.29 174.93 1u46 h GLU 288 N 0.53 0.00 -0.00 2.91 5.08 -2.02 -2.67 114.58 118.40 1u46 h GLU 288 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1u46 h GLU 288 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1u46 h GLU 288 CO 0.53 0.13 -0.27 -2.39 -1.00 0.00 0.00 179.01 176.01 1u46 n HIS 289 N -3.97 0.00 -3.11 4.33 1.44 -1.26 -4.84 115.22 107.81 1u46 n HIS 289 Ca -0.02 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.42 1u46 n HIS 289 Cb 0.22 -0.22 -0.01 0.00 0.12 0.00 0.00 29.99 30.09 1u46 n HIS 289 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1u46 s ARG 290 N -2.72 3.56 -0.13 -1.40 0.52 -1.01 -5.10 118.95 112.67 1u46 s ARG 290 Ca 0.20 -0.03 -0.08 0.00 -0.52 0.00 0.00 55.73 55.30 1u46 s ARG 290 Cb 0.19 -2.55 0.05 0.00 0.52 0.00 0.00 34.95 33.15 1u46 s ARG 290 CO 0.57 0.05 0.32 0.15 0.02 0.00 0.00 175.30 176.41 1u46 s LYS 291 N -4.21 0.30 -0.09 3.54 1.02 -1.26 -4.94 119.74 114.11 1u46 s LYS 291 Ca 0.44 0.62 0.04 0.00 0.02 0.00 0.00 55.97 57.09 1u46 s LYS 291 Cb -0.10 -0.04 -0.00 0.00 -0.52 0.00 0.00 37.83 37.16 1u46 s LYS 291 CO 0.37 -0.14 -0.24 0.08 -0.92 0.00 0.00 175.35 174.49 1u46 s VAL 292 N 1.16 2.09 0.27 3.17 1.01 -1.26 -5.10 120.40 121.74 1u46 s VAL 292 Ca -0.08 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.58 1u46 s VAL 292 Cb -0.08 -1.78 -0.14 0.00 0.00 0.00 0.00 36.38 34.37 1u46 s VAL 292 CO -0.09 0.56 1.22 -2.65 0.00 0.00 0.00 175.10 174.14 1u46 n PRO 293 N 3.36 1.71 -0.16 2.72 -0.02 -1.26 -4.86 135.00 136.50 1u46 n PRO 293 Ca -0.19 0.60 -0.01 0.00 -2.02 0.00 0.00 63.50 61.89 1u46 n PRO 293 Cb 0.53 -2.13 0.24 0.00 -0.02 0.00 0.00 33.50 32.12 1u46 n PRO 293 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1u46 h PHE 294 N 3.04 0.86 0.00 6.00 0.04 -1.98 -2.78 116.94 122.12 1u46 h PHE 294 Ca -0.43 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1u46 h PHE 294 Cb 1.31 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 39.18 1u46 h PHE 294 CO 0.52 0.62 0.00 0.00 -0.60 0.00 0.00 178.31 178.85 1u46 h ALA 295 N 1.47 1.00 0.00 2.45 0.00 -1.89 -1.89 119.26 120.41 1u46 h ALA 295 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1u46 h ALA 295 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1u46 h ALA 295 CO -0.03 0.00 -0.70 0.91 0.00 0.00 0.00 179.25 179.43 1u46 n TRP 296 N -2.55 0.16 -3.09 0.00 8.01 -1.05 -4.90 117.44 114.02 1u46 n TRP 296 Ca -0.00 0.05 -0.39 0.00 -1.31 0.00 0.00 57.50 55.84 1u46 n TRP 296 Cb 0.15 -0.34 -0.06 0.00 -2.01 0.00 0.00 31.31 29.05 1u46 n TRP 296 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1u46 s ALA 298 N -0.70 1.68 0.26 0.00 0.00 -1.26 -4.74 121.76 117.00 1u46 s ALA 298 Ca 0.34 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.91 1u46 s ALA 298 Cb -0.21 -3.44 0.45 0.00 0.00 0.00 0.00 23.12 19.92 1u46 s ALA 298 CO 0.22 -2.50 1.82 -1.35 0.00 0.00 0.00 175.76 173.95 1u46 h PRO 299 N -1.47 0.83 0.00 0.00 0.11 -1.93 -0.77 132.00 128.77 1u46 h PRO 299 Ca -0.44 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1u46 h PRO 299 Cb 1.27 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1u46 h PRO 299 CO 0.44 0.55 -0.41 1.05 -0.21 0.00 0.00 178.00 179.42 1u46 h GLU 300 N 0.85 0.00 -0.26 1.05 9.09 -1.91 -0.02 114.58 123.37 1u46 h GLU 300 Ca 0.43 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.68 1u46 h GLU 300 Cb 0.41 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.51 1u46 h GLU 300 CO -0.26 0.41 -0.46 0.77 0.05 0.00 0.00 179.01 179.53 1u46 h SER 301 N 0.00 0.86 -0.61 3.06 0.02 -1.29 -1.56 113.55 114.02 1u46 h SER 301 Ca -0.00 -0.53 -0.08 0.00 -0.84 0.00 0.00 61.79 60.34 1u46 h SER 301 Cb 1.02 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.29 1u46 h SER 301 CO 0.05 1.22 0.08 -0.07 -1.14 0.00 0.00 176.83 176.97 1u46 h LEU 302 N 0.52 1.01 0.11 5.07 3.38 -0.59 -2.01 115.31 122.79 1u46 h LEU 302 Ca 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1u46 h LEU 302 Cb 1.06 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1u46 h LEU 302 CO 0.10 1.01 -0.05 0.11 0.09 0.00 0.00 178.44 179.71 1u46 h LYS 303 N 0.98 -0.14 0.00 1.13 1.57 -1.00 -3.40 116.57 115.71 1u46 h LYS 303 Ca 0.19 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1u46 h LYS 303 Cb 0.45 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1u46 h LYS 303 CO 0.02 0.33 -0.01 0.25 -0.57 0.00 0.00 179.45 179.47 1u46 n THR 304 N -4.84 0.80 -2.48 -0.16 -2.24 -0.61 -4.98 114.28 99.77 1u46 n THR 304 Ca -0.07 -0.81 -0.18 0.00 -2.27 0.00 0.00 64.05 60.72 1u46 n THR 304 Cb 0.26 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1u46 n THR 304 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1u46 n ARG 305 N -0.42 -2.11 -3.03 -0.78 1.74 -0.76 -4.81 116.66 106.49 1u46 n ARG 305 Ca 0.01 0.85 -0.40 0.00 -0.77 0.00 0.00 57.85 57.53 1u46 n ARG 305 Cb 0.33 -5.36 -0.05 0.00 -1.02 0.00 0.00 32.46 26.36 1u46 n ARG 305 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1u46 s THR 306 N -2.94 4.99 0.08 0.55 2.01 -1.09 -1.12 115.64 118.11 1u46 s THR 306 Ca 0.06 1.39 0.08 0.00 0.31 0.00 0.00 61.69 63.54 1u46 s THR 306 Cb -0.03 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1u46 s THR 306 CO 0.08 0.13 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.55 1u46 s PHE 307 N 1.67 1.97 0.30 4.92 0.08 0.02 -3.33 117.98 123.61 1u46 s PHE 307 Ca 0.34 -0.39 -0.13 0.00 0.12 0.00 0.00 56.93 56.87 1u46 s PHE 307 Cb -0.16 -1.13 0.05 0.00 -0.57 0.00 0.00 43.02 41.21 1u46 s PHE 307 CO 0.13 0.17 0.67 -1.13 -0.10 0.00 0.00 175.22 174.97 1u46 n SER 308 N 1.45 -1.82 -0.11 1.36 3.41 -1.26 -1.40 113.62 115.25 1u46 n SER 308 Ca -0.18 -2.23 -0.04 0.00 -0.26 0.00 0.00 58.87 56.17 1u46 n SER 308 Cb 0.53 3.03 0.18 0.00 -0.26 0.00 0.00 64.21 67.69 1u46 n SER 308 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1u46 h HIS 309 N 1.81 0.83 -0.14 7.33 3.86 -1.93 -2.07 115.15 124.84 1u46 h HIS 309 Ca -0.27 -0.10 -0.12 0.00 -1.16 0.00 0.00 60.37 58.73 1u46 h HIS 309 Cb 1.01 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 1u46 h HIS 309 CO 0.00 0.75 -0.42 0.00 0.86 0.00 0.00 177.93 179.12 1u46 h ALA 310 N 1.30 1.03 -0.17 2.45 0.00 -1.92 -1.64 119.26 120.31 1u46 h ALA 310 Ca 0.15 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1u46 h ALA 310 Cb 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1u46 h ALA 310 CO 0.01 0.61 -0.42 0.66 0.00 0.00 0.00 179.25 180.11 1u46 h SER 311 N 0.27 0.42 -0.95 0.00 4.64 -1.81 -2.07 113.55 114.05 1u46 h SER 311 Ca 0.02 -0.19 0.03 0.00 -0.47 0.00 0.00 61.79 61.18 1u46 h SER 311 Cb 0.85 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 62.77 1u46 h SER 311 CO 0.07 0.80 0.63 0.44 -0.87 0.00 0.00 176.83 177.89 1u46 h ASP 312 N 0.33 1.06 -0.58 4.97 3.32 -1.04 -0.76 116.42 123.71 1u46 h ASP 312 Ca 0.03 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1u46 h ASP 312 Cb 0.88 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 1u46 h ASP 312 CO 0.07 0.74 0.33 0.74 -1.72 0.00 0.00 179.24 179.40 1u46 h THR 313 N 1.24 1.19 -0.58 0.35 2.02 -0.92 0.05 112.91 116.26 1u46 h THR 313 Ca 0.37 -0.46 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1u46 h THR 313 Cb -0.05 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 66.75 1u46 h THR 313 CO -0.10 0.20 0.35 -0.25 0.37 0.00 0.00 175.52 176.09 1u46 h TRP 314 N 0.79 0.66 -0.01 3.16 2.91 -0.78 -1.09 115.95 121.58 1u46 h TRP 314 Ca 0.21 0.02 -0.14 0.00 1.13 0.00 0.00 58.89 60.10 1u46 h TRP 314 Cb 0.03 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.45 1u46 h TRP 314 CO -0.01 0.37 -0.67 0.52 -1.03 0.00 0.00 178.44 177.62 1u46 h MET 315 N 0.69 0.04 -0.67 2.65 0.00 -0.65 -1.77 114.93 115.22 1u46 h MET 315 Ca 0.24 -0.03 0.01 0.00 0.00 0.00 0.00 59.70 59.92 1u46 h MET 315 Cb 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 31.60 31.61 1u46 h MET 315 CO -0.11 0.69 0.44 0.35 0.00 0.00 0.00 176.91 178.28 1u46 h PHE 316 N 0.03 0.82 -0.31 -0.22 3.57 -0.50 0.19 116.94 120.53 1u46 h PHE 316 Ca -0.01 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.56 1u46 h PHE 316 Cb 1.18 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 1u46 h PHE 316 CO 0.00 0.50 0.03 0.78 -2.23 0.00 0.00 178.31 177.40 1u46 h GLY 317 N 0.88 0.33 1.12 2.40 0.00 -0.37 0.25 103.07 107.68 1u46 h GLY 317 Ca 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.55 1u46 h GLY 317 CO -0.07 -0.04 0.33 -2.08 0.00 0.00 0.00 176.54 174.68 1u46 h VAL 318 N 0.14 1.25 -0.61 4.60 2.07 -0.82 -1.30 116.25 121.58 1u46 h VAL 318 Ca 0.15 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1u46 h VAL 318 Cb 0.18 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1u46 h VAL 318 CO -0.22 0.31 0.38 0.74 0.02 0.00 0.00 177.57 178.80 1u46 h THR 319 N 1.11 1.17 -0.96 2.57 2.02 0.08 0.01 112.91 118.91 1u46 h THR 319 Ca 0.26 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 67.09 1u46 h THR 319 Cb 0.18 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 1u46 h THR 319 CO -0.03 0.18 0.64 -0.07 0.37 0.00 0.00 175.52 176.61 1u46 h LEU 320 N 0.83 1.08 -0.47 2.58 3.38 -0.27 -0.87 115.31 121.56 1u46 h LEU 320 Ca 0.22 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1u46 h LEU 320 Cb -0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1u46 h LEU 320 CO -0.04 0.76 -0.01 -0.25 0.09 0.00 0.00 178.44 178.99 1u46 h TRP 321 N 1.27 0.93 -0.93 1.13 7.01 0.06 -1.06 115.95 124.35 1u46 h TRP 321 Ca 0.37 -0.17 0.06 0.00 2.11 0.00 0.00 58.89 61.26 1u46 h TRP 321 Cb -0.08 -0.24 -0.06 0.00 -2.10 0.00 0.00 29.16 26.68 1u46 h TRP 321 CO -0.00 0.89 0.59 0.93 -2.79 0.00 0.00 178.44 178.06 1u46 h GLU 322 N 0.70 1.07 -0.05 2.65 5.08 -0.63 -1.12 114.58 122.27 1u46 h GLU 322 Ca 0.13 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1u46 h GLU 322 Cb 0.53 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1u46 h GLU 322 CO 0.03 0.71 0.01 0.52 -1.00 0.00 0.00 179.01 179.28 1u46 h MET 323 N 1.10 0.09 -0.00 2.33 2.86 -0.44 0.14 114.93 121.01 1u46 h MET 323 Ca 0.40 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 1u46 h MET 323 Cb 0.13 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1u46 h MET 323 CO -0.16 0.29 -0.22 1.19 1.06 0.00 0.00 176.91 179.07 1u46 n PHE 324 N -4.92 0.00 1.16 -0.22 3.72 -0.47 -1.05 117.46 115.68 1u46 n PHE 324 Ca -0.07 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.43 1u46 n PHE 324 Cb 0.14 -0.39 0.35 0.00 -0.94 0.00 0.00 39.48 38.64 1u46 n PHE 324 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1u46 n THR 325 N -1.50 0.24 -3.13 4.37 -2.24 -0.45 -4.73 114.28 106.84 1u46 n THR 325 Ca 0.06 -0.37 -0.22 0.00 -2.27 0.00 0.00 64.05 61.26 1u46 n THR 325 Cb 0.34 0.38 0.05 0.00 -2.10 0.00 0.00 70.33 68.99 1u46 n THR 325 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1u46 n TYR 326 N 0.38 -2.11 -0.69 4.78 4.01 -0.21 -3.66 117.16 119.66 1u46 n TYR 326 Ca 0.16 0.63 0.00 0.00 -0.16 0.00 0.00 57.90 58.53 1u46 n TYR 326 Cb 0.34 -4.47 0.00 0.00 -0.31 0.00 0.00 39.34 34.89 1u46 n TYR 326 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u46 n GLY 327 N -1.61 1.43 3.78 2.72 0.00 0.47 -3.57 105.19 108.39 1u46 n GLY 327 Ca -0.08 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1u46 n GLY 327 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u46 s GLN 328 N -2.04 3.97 -0.25 1.61 0.74 -1.24 -4.88 119.66 117.57 1u46 s GLN 328 Ca 0.00 1.66 -0.28 0.00 0.05 0.00 0.00 55.36 56.79 1u46 s GLN 328 Cb 0.00 -2.49 0.01 0.00 1.10 0.00 0.00 33.01 31.63 1u46 s GLN 328 CO 0.00 -0.35 1.00 -2.00 -0.55 0.00 0.00 175.29 173.39 1u46 s GLU 329 N -2.57 4.21 0.32 1.67 2.12 -1.26 -4.66 118.70 118.53 1u46 s GLU 329 Ca 0.60 1.22 -0.29 0.00 0.36 0.00 0.00 54.97 56.87 1u46 s GLU 329 Cb -0.26 -3.66 -0.11 0.00 0.26 0.00 0.00 34.13 30.36 1u46 s GLU 329 CO 0.32 -0.65 1.53 -1.25 -0.54 0.00 0.00 175.26 174.67 1u46 s PRO 330 N 3.19 4.14 -1.39 4.30 0.04 -1.26 -3.40 135.00 140.61 1u46 s PRO 330 Ca 0.42 2.54 -0.09 0.00 0.04 0.00 0.00 61.00 63.92 1u46 s PRO 330 Cb -0.15 -3.01 0.06 0.00 0.04 0.00 0.00 34.50 31.44 1u46 s PRO 330 CO 0.08 -0.56 0.59 0.91 0.04 0.00 0.00 177.00 178.05 1u46 n TRP 331 N 1.51 -1.91 -1.70 0.56 5.03 -1.26 -4.82 117.44 114.85 1u46 n TRP 331 Ca 0.05 0.54 -0.42 0.00 3.03 0.00 0.00 57.50 60.70 1u46 n TRP 331 Cb 0.38 -3.50 0.00 0.00 -1.03 0.00 0.00 31.31 27.16 1u46 n TRP 331 CO 0.00 0.00 0.00 1.51 -0.03 0.00 0.00 177.69 179.17 1u46 n ILE 332 N -4.19 2.20 -0.93 -0.99 3.06 -1.22 -1.90 119.36 115.40 1u46 n ILE 332 Ca -0.03 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.72 1u46 n ILE 332 Cb 0.56 -1.55 0.00 0.00 0.54 0.00 0.00 39.64 39.19 1u46 n ILE 332 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1u46 n GLY 333 N 0.80 0.84 3.70 4.50 0.00 -1.26 -5.01 105.19 108.76 1u46 n GLY 333 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1u46 n GLY 333 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u46 s LEU 334 N 0.00 3.69 0.70 0.99 1.43 -0.80 -5.11 118.68 119.59 1u46 s LEU 334 Ca 0.00 0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.22 1u46 s LEU 334 Cb 0.00 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.43 1u46 s LEU 334 CO 0.00 0.37 1.01 0.54 0.23 0.00 0.00 176.35 178.50 1u46 s ASN 335 N -0.83 4.77 0.29 2.29 2.20 -1.26 -4.87 114.94 117.54 1u46 s ASN 335 Ca 0.13 0.38 0.04 0.00 -0.94 0.00 0.00 52.86 52.47 1u46 s ASN 335 Cb -0.12 -1.01 0.71 0.00 -2.00 0.00 0.00 41.25 38.83 1u46 s ASN 335 CO 0.02 -1.62 1.74 1.23 -2.94 0.00 0.00 177.10 175.54 1u46 h GLY 336 N -0.58 1.63 1.01 0.45 0.00 -1.99 -0.93 103.07 102.66 1u46 h GLY 336 Ca -0.44 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 46.53 1u46 h GLY 336 CO 0.58 -0.16 -0.14 1.76 0.00 0.00 0.00 176.54 178.59 1u46 h SER 337 N 0.58 0.83 -0.47 0.19 0.02 -1.99 -0.88 113.55 111.84 1u46 h SER 337 Ca 0.56 -0.38 -0.13 0.00 -0.84 0.00 0.00 61.79 61.00 1u46 h SER 337 Cb 0.95 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1u46 h SER 337 CO -0.44 1.02 -0.19 1.56 -1.14 0.00 0.00 176.83 177.64 1u46 h GLN 338 N 0.64 0.98 -0.02 3.45 4.20 -1.84 -0.07 115.11 122.44 1u46 h GLN 338 Ca 0.10 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.41 1u46 h GLN 338 Cb 0.68 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 1u46 h GLN 338 CO 0.05 1.07 0.01 0.82 -0.67 0.00 0.00 178.83 180.11 1u46 h ILE 339 N 0.85 1.15 -0.50 2.54 2.04 -1.06 -0.90 117.51 121.64 1u46 h ILE 339 Ca 0.12 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.58 1u46 h ILE 339 Cb 0.76 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 1u46 h ILE 339 CO 0.06 0.12 0.24 0.25 0.00 0.00 0.00 178.15 178.82 1u46 h LEU 340 N -0.15 0.34 -0.63 1.44 5.85 -1.01 -0.15 115.31 120.99 1u46 h LEU 340 Ca 0.01 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1u46 h LEU 340 Cb 0.19 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1u46 h LEU 340 CO -0.00 0.23 0.21 -0.74 -0.34 0.00 0.00 178.44 177.80 1u46 h HIS 341 N 0.47 1.01 0.23 1.25 2.76 -0.91 -0.91 115.15 119.04 1u46 h HIS 341 Ca 0.22 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 1u46 h HIS 341 Cb 0.14 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.81 1u46 h HIS 341 CO -0.11 0.82 -0.11 0.87 -1.30 0.00 0.00 177.93 178.10 1u46 h LYS 342 N 0.91 -0.29 0.00 5.26 1.57 -0.37 -1.05 116.57 122.59 1u46 h LYS 342 Ca 0.21 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1u46 h LYS 342 Cb 0.28 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1u46 h LYS 342 CO -0.01 -0.18 -0.71 -0.84 -0.57 0.00 0.00 179.45 177.15 1u46 h ILE 343 N -0.33 0.49 0.00 1.86 3.07 -0.89 -1.34 117.51 120.37 1u46 h ILE 343 Ca -0.03 -1.77 -0.35 0.00 1.55 0.00 0.00 64.86 64.26 1u46 h ILE 343 Cb 0.25 2.12 -0.06 0.00 -0.27 0.00 0.00 36.82 38.86 1u46 h ILE 343 CO 0.05 0.28 -2.31 -0.67 -1.05 0.00 0.00 178.15 174.45 1u46 n ASP 344 N -3.04 2.18 -0.07 2.16 2.03 -0.36 -4.02 116.55 115.43 1u46 n ASP 344 Ca -0.01 -0.09 -0.11 0.00 0.52 0.00 0.00 54.79 55.10 1u46 n ASP 344 Cb 0.70 -0.39 -0.15 0.00 -0.72 0.00 0.00 41.12 40.56 1u46 n ASP 344 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1u46 n LYS 345 N -3.24 0.67 0.00 -0.67 4.76 -0.48 -4.52 118.16 114.68 1u46 n LYS 345 Ca -0.41 0.12 0.11 0.00 -2.87 0.00 0.00 58.31 55.26 1u46 n LYS 345 Cb 0.92 -1.61 0.01 0.00 -1.84 0.00 0.00 35.03 32.52 1u46 n LYS 345 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1u46 n GLU 346 N -2.95 1.36 -1.93 1.97 1.02 -0.69 -4.97 120.64 114.45 1u46 n GLU 346 Ca -0.30 -1.13 -0.18 0.00 -0.02 0.00 0.00 57.16 55.53 1u46 n GLU 346 Cb 1.10 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 31.00 1u46 n GLU 346 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u46 n GLY 347 N 1.41 0.73 3.78 0.62 0.00 -0.92 -4.95 105.19 105.86 1u46 n GLY 347 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1u46 n GLY 347 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u46 s GLU 348 N -4.23 4.07 0.11 1.61 2.12 -0.55 -4.98 118.70 116.84 1u46 s GLU 348 Ca 0.00 1.54 0.05 0.00 0.36 0.00 0.00 54.97 56.92 1u46 s GLU 348 Cb 0.00 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.88 1u46 s GLU 348 CO 0.00 -0.23 -0.12 1.03 -0.54 0.00 0.00 175.26 175.40 1u46 s ARG 349 N -2.60 0.94 0.40 4.30 1.81 -1.26 -4.36 118.95 118.18 1u46 s ARG 349 Ca 0.60 -1.18 -0.27 0.00 -1.72 0.00 0.00 55.73 53.15 1u46 s ARG 349 Cb -0.22 -0.75 -0.10 0.00 -0.45 0.00 0.00 34.95 33.42 1u46 s ARG 349 CO 0.28 0.14 1.40 1.28 -0.68 0.00 0.00 175.30 177.72 1u46 n LEU 350 N 0.60 4.52 -4.83 2.53 4.77 -1.26 -4.98 117.00 118.35 1u46 n LEU 350 Ca -0.16 1.18 -0.30 0.00 -0.03 0.00 0.00 56.01 56.69 1u46 n LEU 350 Cb 0.57 -1.57 0.06 0.00 -2.33 0.00 0.00 43.42 40.15 1u46 n LEU 350 CO 0.26 -0.16 0.72 -2.16 -1.33 0.00 0.00 177.39 174.72 1u46 s PRO 351 N -2.16 2.64 0.04 3.23 0.04 -1.26 -4.97 135.00 132.57 1u46 s PRO 351 Ca 0.57 0.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.02 1u46 s PRO 351 Cb -0.49 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 31.98 1u46 s PRO 351 CO 0.61 -1.25 1.93 -2.13 0.04 0.00 0.00 177.00 176.21 1u46 n ARG 352 N -3.19 2.78 -1.61 4.56 0.63 -1.26 -4.95 116.66 113.62 1u46 n ARG 352 Ca 0.07 1.02 -0.39 0.00 -0.92 0.00 0.00 57.85 57.62 1u46 n ARG 352 Cb 0.55 -2.95 0.03 0.00 0.45 0.00 0.00 32.46 30.55 1u46 n ARG 352 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1u46 n PRO 353 N 6.98 1.09 -1.70 -0.14 -0.02 -1.26 -4.92 135.00 135.03 1u46 n PRO 353 Ca 0.20 0.41 -0.44 0.00 -2.02 0.00 0.00 63.50 61.65 1u46 n PRO 353 Cb 0.39 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 1u46 n PRO 353 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1u46 n GLU 354 N -0.45 2.22 -1.06 -0.52 1.02 -1.26 -2.12 120.64 118.46 1u46 n GLU 354 Ca 0.11 0.79 -0.02 0.00 -0.02 0.00 0.00 57.16 58.02 1u46 n GLU 354 Cb 0.44 -2.46 -0.01 0.00 -0.02 0.00 0.00 31.44 29.39 1u46 n GLU 354 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1u46 n ASP 355 N 1.85 -5.10 -4.68 1.62 8.00 -1.26 -4.96 116.55 112.03 1u46 n ASP 355 Ca 0.09 0.06 -0.39 0.00 0.71 0.00 0.00 54.79 55.26 1u46 n ASP 355 Cb 0.34 -2.79 -0.07 0.00 -0.02 0.00 0.00 41.12 38.58 1u46 n ASP 355 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u46 s PRO 357 N 1.37 2.77 0.22 0.00 0.04 -1.26 -4.81 135.00 133.33 1u46 s PRO 357 Ca 0.23 1.94 -0.07 0.00 0.04 0.00 0.00 61.00 63.14 1u46 s PRO 357 Cb -0.15 -1.89 0.17 0.00 0.04 0.00 0.00 34.50 32.67 1u46 s PRO 357 CO 0.09 -1.39 1.80 0.37 0.04 0.00 0.00 177.00 177.91 1u46 h GLN 358 N 0.73 1.22 -0.33 4.56 5.75 -1.99 -1.84 115.11 123.21 1u46 h GLN 358 Ca -0.51 -0.20 -0.04 0.00 -0.15 0.00 0.00 58.65 57.75 1u46 h GLN 358 Cb 1.32 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.64 1u46 h GLN 358 CO 0.54 0.96 0.04 0.38 -2.65 0.00 0.00 178.83 178.10 1u46 h ASP 359 N 1.20 0.46 -0.13 -0.69 3.04 -1.94 0.19 116.42 118.54 1u46 h ASP 359 Ca 0.28 -0.07 -0.18 0.00 -3.24 0.00 0.00 57.03 53.82 1u46 h ASP 359 Cb 0.17 -0.12 -0.00 0.00 -1.04 0.00 0.00 39.33 38.34 1u46 h ASP 359 CO -0.03 0.49 -0.58 0.40 -2.04 0.00 0.00 179.24 177.49 1u46 h ILE 360 N 0.48 1.30 -0.60 4.15 2.04 -1.70 -2.93 117.51 120.25 1u46 h ILE 360 Ca 0.11 -1.80 -0.02 0.00 1.00 0.00 0.00 64.86 64.16 1u46 h ILE 360 Cb 0.25 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 1u46 h ILE 360 CO 0.00 0.57 0.30 0.22 0.00 0.00 0.00 178.15 179.25 1u46 h TYR 361 N 0.55 0.85 -0.91 1.37 3.20 -0.80 -2.22 116.97 119.00 1u46 h TYR 361 Ca 0.00 -0.03 0.12 0.00 3.14 0.00 0.00 58.73 61.96 1u46 h TYR 361 Cb 1.16 -0.27 -0.08 0.00 1.54 0.00 0.00 36.73 39.08 1u46 h TYR 361 CO 0.06 0.63 0.54 -0.91 -1.64 0.00 0.00 178.16 176.85 1u46 h ASN 362 N 0.82 0.77 -0.88 -2.11 2.35 -0.62 -1.22 115.58 114.68 1u46 h ASN 362 Ca 0.21 0.06 0.07 0.00 -0.55 0.00 0.00 56.30 56.08 1u46 h ASN 362 Cb 0.09 -0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.30 1u46 h ASN 362 CO -0.03 0.40 0.55 0.58 -1.65 0.00 0.00 177.43 177.28 1u46 h VAL 363 N 0.85 1.03 0.18 2.81 2.07 -1.21 -0.98 116.25 121.00 1u46 h VAL 363 Ca 0.46 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 1u46 h VAL 363 Cb 0.49 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1u46 h VAL 363 CO -0.28 0.18 -0.09 0.24 0.02 0.00 0.00 177.57 177.64 1u46 h MET 364 N 0.98 -0.24 -0.87 1.57 2.86 -1.13 -1.73 114.93 116.37 1u46 h MET 364 Ca 0.39 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 58.10 1u46 h MET 364 Cb 0.19 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.85 1u46 h MET 364 CO -0.18 -0.11 0.57 0.28 1.06 0.00 0.00 176.91 178.52 1u46 h VAL 365 N -0.30 1.07 -0.38 -2.22 2.07 -1.03 -0.12 116.25 115.35 1u46 h VAL 365 Ca -0.03 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1u46 h VAL 365 Cb 0.23 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1u46 h VAL 365 CO 0.04 0.18 0.11 1.56 0.02 0.00 0.00 177.57 179.48 1u46 h GLN 366 N 1.00 0.55 0.00 1.57 4.20 -0.85 -2.01 115.11 119.57 1u46 h GLN 366 Ca 0.37 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.98 1u46 h GLN 366 Cb 0.18 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1u46 h GLN 366 CO -0.13 0.49 -0.08 0.00 -0.67 0.00 0.00 178.83 178.44 1u46 n TRP 368 N -3.34 2.22 -1.71 0.00 8.01 -0.76 -3.72 117.44 118.15 1u46 n TRP 368 Ca -0.01 -1.27 -0.43 0.00 -1.31 0.00 0.00 57.50 54.48 1u46 n TRP 368 Cb 0.27 -0.65 -0.02 0.00 -2.01 0.00 0.00 31.31 28.90 1u46 n TRP 368 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1u46 n ALA 369 N -0.38 1.74 -0.01 6.99 0.00 -1.03 -4.89 120.51 122.93 1u46 n ALA 369 Ca 0.40 0.38 -0.11 0.00 0.00 0.00 0.00 53.44 54.11 1u46 n ALA 369 Cb 1.33 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 1u46 n ALA 369 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1u46 h HIS 370 N 3.92 0.15 -3.28 0.00 2.76 -1.93 -3.41 115.15 113.36 1u46 h HIS 370 Ca -0.46 -0.00 -0.56 0.00 -2.20 0.00 0.00 60.37 57.14 1u46 h HIS 370 Cb 1.26 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 30.12 1u46 h HIS 370 CO 0.55 0.18 0.49 0.15 -1.30 0.00 0.00 177.93 178.01 1u46 s LYS 371 N -5.84 4.41 0.28 5.26 1.02 -1.26 -4.93 119.74 118.67 1u46 s LYS 371 Ca -0.13 1.29 0.01 0.00 0.02 0.00 0.00 55.97 57.16 1u46 s LYS 371 Cb 0.07 -3.54 0.60 0.00 -0.52 0.00 0.00 37.83 34.44 1u46 s LYS 371 CO 0.68 -0.28 1.77 -1.35 -0.92 0.00 0.00 175.35 175.25 1u46 h PRO 372 N 7.11 0.67 0.00 -1.68 0.11 -1.96 -0.36 132.00 135.89 1u46 h PRO 372 Ca -0.32 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1u46 h PRO 372 Cb 1.15 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1u46 h PRO 372 CO 0.84 0.44 0.00 -0.85 -0.21 0.00 0.00 178.00 178.23 1u46 n GLU 373 N -4.82 0.17 0.00 1.05 0.00 -1.26 -2.19 120.64 113.59 1u46 n GLU 373 Ca 0.19 0.46 0.13 0.00 0.00 0.00 0.00 57.16 57.94 1u46 n GLU 373 Cb 0.48 -1.86 0.35 0.00 0.00 0.00 0.00 31.44 30.41 1u46 n GLU 373 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1u46 n ASP 374 N -2.18 0.93 -4.78 -1.84 8.00 -0.15 -4.89 116.55 111.65 1u46 n ASP 374 Ca 0.01 -0.77 -0.38 0.00 0.71 0.00 0.00 54.79 54.36 1u46 n ASP 374 Cb 0.18 0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 1u46 n ASP 374 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1u46 s ARG 375 N -2.60 4.56 0.60 -1.24 0.52 -0.93 -4.85 118.95 115.02 1u46 s ARG 375 Ca 0.22 1.23 -0.16 0.00 -0.52 0.00 0.00 55.73 56.49 1u46 s ARG 375 Cb 0.19 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 1u46 s ARG 375 CO 0.56 0.41 1.07 -1.25 0.02 0.00 0.00 175.30 176.11 1u46 s PRO 376 N -1.67 3.24 0.85 3.54 0.04 -1.26 -5.02 135.00 134.71 1u46 s PRO 376 Ca 0.44 1.28 -0.13 0.00 0.04 0.00 0.00 61.00 62.63 1u46 s PRO 376 Cb -0.21 -2.02 0.11 0.00 0.04 0.00 0.00 34.50 32.43 1u46 s PRO 376 CO 0.25 -0.89 1.21 0.95 0.04 0.00 0.00 177.00 178.57 1u46 s THR 377 N -2.35 2.00 0.30 1.26 -4.23 -1.26 -4.85 115.64 106.51 1u46 s THR 377 Ca 0.65 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 61.26 1u46 s THR 377 Cb -0.18 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 70.70 1u46 s THR 377 CO 0.36 0.00 1.69 -0.26 -0.54 0.00 0.00 174.62 175.87 1u46 h PHE 378 N -1.22 0.07 0.01 3.99 0.04 -1.92 -0.68 116.94 117.21 1u46 h PHE 378 Ca -0.46 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.29 1u46 h PHE 378 Cb 1.31 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1u46 h PHE 378 CO -0.03 0.55 -0.00 0.28 -0.60 0.00 0.00 178.31 178.52 1u46 h VAL 379 N 0.05 1.04 -0.45 -0.55 2.07 -1.92 -1.43 116.25 115.05 1u46 h VAL 379 Ca -0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1u46 h VAL 379 Cb 0.92 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1u46 h VAL 379 CO 0.07 0.04 0.23 0.00 0.02 0.00 0.00 177.57 177.93 1u46 h ALA 380 N 0.93 0.58 -0.93 1.67 0.00 -1.88 -2.67 119.26 116.97 1u46 h ALA 380 Ca -0.00 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1u46 h ALA 380 Cb 0.06 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 1u46 h ALA 380 CO 0.00 0.13 0.58 -0.07 0.00 0.00 0.00 179.25 179.89 1u46 h LEU 381 N 0.59 0.92 -0.36 0.00 3.38 -1.02 -0.73 115.31 118.10 1u46 h LEU 381 Ca 0.16 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.21 1u46 h LEU 381 Cb 0.09 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 1u46 h LEU 381 CO -0.02 0.58 -0.05 -0.09 0.09 0.00 0.00 178.44 178.94 1u46 h ARG 382 N 1.05 0.04 -0.39 1.13 2.43 -0.92 0.14 114.38 117.85 1u46 h ARG 382 Ca 0.41 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.44 1u46 h ARG 382 Cb 0.20 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1u46 h ARG 382 CO -0.18 0.02 -0.29 -0.44 -1.51 0.00 0.00 179.97 177.57 1u46 h ASP 383 N 0.04 0.94 -0.47 -3.80 3.32 -1.19 -0.16 116.42 115.10 1u46 h ASP 383 Ca 0.17 -0.44 0.03 0.00 0.02 0.00 0.00 57.03 56.82 1u46 h ASP 383 Cb 0.26 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1u46 h ASP 383 CO -0.34 1.18 0.25 -0.26 -1.72 0.00 0.00 179.24 178.35 1u46 h PHE 384 N 0.71 0.45 -0.13 4.55 0.04 -0.89 -1.58 116.94 120.08 1u46 h PHE 384 Ca 0.08 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.75 1u46 h PHE 384 Cb 0.87 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.88 1u46 h PHE 384 CO 0.06 0.24 -0.43 -0.07 -0.60 0.00 0.00 178.31 177.51 1u46 h LEU 385 N 0.49 0.32 -0.43 1.54 3.38 -0.48 -1.74 115.31 118.39 1u46 h LEU 385 Ca 0.20 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1u46 h LEU 385 Cb 0.09 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1u46 h LEU 385 CO -0.13 0.72 0.18 -0.07 0.09 0.00 0.00 178.44 179.23 1u46 h LEU 386 N 0.25 0.58 -1.48 1.67 3.38 -0.68 -2.83 115.31 116.21 1u46 h LEU 386 Ca 0.02 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1u46 h LEU 386 Cb 0.86 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1u46 h LEU 386 CO 0.07 0.58 0.00 -0.33 0.09 0.00 0.00 178.44 178.85 1u46 h GLU 387 N 0.55 0.00 -0.95 1.13 5.08 -1.14 -3.20 114.58 116.05 1u46 h GLU 387 Ca 0.14 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.34 1u46 h GLU 387 Cb 0.17 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.33 1u46 h GLU 387 CO -0.01 0.00 0.21 0.00 -1.00 0.00 0.00 179.01 178.21 1u46 n ALA 388 N -2.06 3.65 -2.09 3.43 0.00 -0.67 -4.88 120.51 117.88 1u46 n ALA 388 Ca 0.01 -1.14 -0.02 0.00 0.00 0.00 0.00 53.44 52.29 1u46 n ALA 388 Cb 0.29 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1u46 n ALA 388 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1u46 n GLN 389 N -0.08 -0.82 0.00 0.00 0.00 -1.21 -4.72 117.38 110.55 1u46 n GLN 389 Ca 0.22 1.08 0.15 0.00 -0.00 0.00 0.00 57.00 58.45 1u46 n GLN 389 Cb 0.92 -3.25 0.90 0.00 0.00 0.00 0.00 30.24 28.81 1u46 n GLN 389 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71