#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 2.02 0.19 1.96 2.01 -1.26 -4.78 115.64 115.78 1u46 s THR 118 Ca 0.00 -0.91 -0.00 0.00 0.31 0.00 0.00 61.69 61.08 1u46 s THR 118 Cb 0.00 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1u46 s THR 118 CO 0.00 0.53 0.37 0.00 -0.69 0.00 0.00 174.62 174.84 1u46 s LEU 120 N -3.29 4.21 -0.03 0.00 1.02 -1.26 -0.69 118.68 118.64 1u46 s LEU 120 Ca 0.38 1.37 0.02 0.00 0.02 0.00 0.00 54.13 55.92 1u46 s LEU 120 Cb -0.11 -3.42 -0.03 0.00 0.02 0.00 0.00 46.19 42.65 1u46 s LEU 120 CO 0.29 -0.44 -0.06 -0.63 0.02 0.00 0.00 176.35 175.53 1u46 s ILE 121 N 2.12 3.70 0.20 -0.59 1.01 0.18 -4.90 121.20 122.91 1u46 s ILE 121 Ca 0.44 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 1u46 s ILE 121 Cb -0.17 -2.57 -0.06 0.00 0.01 0.00 0.00 42.46 39.67 1u46 s ILE 121 CO 0.15 0.48 0.47 -0.83 0.00 0.00 0.00 174.94 175.21 1u46 s GLY 122 N -1.15 2.19 0.50 6.18 0.00 -1.26 -4.16 107.32 109.62 1u46 s GLY 122 Ca 0.15 -0.45 0.24 0.00 0.00 0.00 0.00 44.72 44.66 1u46 s GLY 122 CO 0.05 -0.35 1.93 1.05 0.00 0.00 0.00 173.10 175.79 1u46 h GLU 123 N 2.54 0.13 0.00 2.90 4.11 -1.96 -1.81 114.58 120.48 1u46 h GLU 123 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1u46 h GLU 123 Cb 1.17 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1u46 h GLU 123 CO 0.70 0.08 0.00 0.87 0.07 0.00 0.00 179.01 180.74 1u46 h LYS 124 N 0.13 0.00 -0.67 1.06 1.57 -2.02 -2.47 116.57 114.17 1u46 h LYS 124 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1u46 h LYS 124 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1u46 h LYS 124 CO -0.05 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.58 1u46 n ASP 125 N -2.62 4.52 -3.94 0.86 10.43 -0.68 -4.86 116.55 120.27 1u46 n ASP 125 Ca 0.02 -2.34 -0.28 0.00 2.57 0.00 0.00 54.79 54.75 1u46 n ASP 125 Cb 0.29 -0.56 -0.17 0.00 1.84 0.00 0.00 41.12 42.53 1u46 n ASP 125 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1u46 s LEU 126 N -1.64 1.53 -0.38 0.64 2.96 -0.93 -0.97 118.68 119.89 1u46 s LEU 126 Ca 0.50 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.84 1u46 s LEU 126 Cb 0.31 -0.98 0.07 0.00 0.50 0.00 0.00 46.19 46.09 1u46 s LEU 126 CO 0.26 -0.13 0.17 -0.13 -1.32 0.00 0.00 176.35 175.20 1u46 s ARG 127 N 1.61 2.48 0.55 1.98 0.52 -0.23 -4.97 118.95 120.88 1u46 s ARG 127 Ca 0.03 -1.41 -0.16 0.00 -0.52 0.00 0.00 55.73 53.67 1u46 s ARG 127 Cb -0.14 -3.57 -0.06 0.00 0.52 0.00 0.00 34.95 31.70 1u46 s ARG 127 CO -0.09 -0.84 1.02 -0.51 0.02 0.00 0.00 175.30 174.90 1u46 s LEU 128 N 1.35 3.58 0.00 2.53 1.02 -1.26 -0.98 118.68 124.92 1u46 s LEU 128 Ca 0.01 1.71 0.00 0.00 0.02 0.00 0.00 54.13 55.88 1u46 s LEU 128 Cb -0.21 -4.52 0.00 0.00 0.02 0.00 0.00 46.19 41.47 1u46 s LEU 128 CO 0.01 -0.87 0.00 0.18 0.02 0.00 0.00 176.35 175.68 1u46 n LEU 129 N -1.74 0.00 -4.67 1.79 4.77 0.12 -4.92 117.00 112.36 1u46 n LEU 129 Ca 0.08 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.66 1u46 n LEU 129 Cb 0.53 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.65 1u46 n LEU 129 CO 0.46 0.00 0.76 -1.84 -1.33 0.00 0.00 177.39 175.44 1u46 n GLU 130 N 0.00 1.50 -2.00 3.23 0.28 -1.25 -4.57 120.64 117.83 1u46 n GLU 130 Ca 0.00 0.55 -0.33 0.00 -0.16 0.00 0.00 57.16 57.22 1u46 n GLU 130 Cb 0.00 -2.30 0.02 0.00 1.43 0.00 0.00 31.44 30.59 1u46 n GLU 130 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1u46 s LYS 131 N -2.44 3.25 0.01 3.44 1.02 -1.26 -1.18 119.74 122.59 1u46 s LYS 131 Ca 0.67 1.21 0.00 0.00 0.02 0.00 0.00 55.97 57.88 1u46 s LYS 131 Cb -0.48 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 1u46 s LYS 131 CO 0.53 -0.86 0.00 1.28 -0.92 0.00 0.00 175.35 175.38 1u46 n LEU 132 N -2.10 0.03 0.00 3.17 4.77 0.06 -4.81 117.00 118.11 1u46 n LEU 132 Ca 0.09 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1u46 n LEU 132 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1u46 n LEU 132 CO 0.47 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1u46 n GLY 133 N 2.25 1.21 0.00 -0.72 0.00 -1.17 -5.03 105.19 101.73 1u46 n GLY 133 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 4.15 0.00 3.55 -0.02 0.00 -1.26 -3.00 105.19 108.60 1u46 n GLY 138 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 1.97 -0.02 1.61 1.01 -1.26 -4.83 120.40 118.88 1u46 s VAL 139 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1u46 s VAL 139 Cb 0.00 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1u46 s VAL 139 CO 0.00 0.00 0.01 -0.69 0.00 0.00 0.00 175.10 174.42 1u46 s VAL 140 N -2.65 0.06 0.01 2.92 1.01 -1.16 -2.35 120.40 118.23 1u46 s VAL 140 Ca 0.67 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.80 1u46 s VAL 140 Cb -0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 1u46 s VAL 140 CO 0.62 0.10 -0.08 -0.13 0.00 0.00 0.00 175.10 175.60 1u46 s ARG 141 N 0.84 0.64 0.09 2.72 0.52 0.10 -0.76 118.95 123.11 1u46 s ARG 141 Ca -0.08 -0.39 -0.31 0.00 -0.52 0.00 0.00 55.73 54.44 1u46 s ARG 141 Cb -0.11 -0.59 -0.09 0.00 0.52 0.00 0.00 34.95 34.68 1u46 s ARG 141 CO -0.02 0.16 1.71 0.50 0.02 0.00 0.00 175.30 177.67 1u46 s ARG 142 N -0.46 4.18 0.40 3.54 3.52 -0.32 0.62 118.95 130.41 1u46 s ARG 142 Ca 0.01 2.42 0.04 0.00 -0.13 0.00 0.00 55.73 58.07 1u46 s ARG 142 Cb -0.04 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 1u46 s ARG 142 CO -0.00 -0.77 0.08 0.20 -0.81 0.00 0.00 175.30 174.00 1u46 s GLY 143 N 2.47 2.50 0.05 8.12 0.00 -0.07 0.16 107.32 120.55 1u46 s GLY 143 Ca 0.76 -1.43 0.07 0.00 0.00 0.00 0.00 44.72 44.12 1u46 s GLY 143 CO 0.34 -1.90 -0.19 -0.54 0.00 0.00 0.00 173.10 170.81 1u46 s GLU 144 N -3.80 1.18 -0.19 2.90 2.02 -0.15 -2.43 118.70 118.23 1u46 s GLU 144 Ca 0.26 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.32 1u46 s GLU 144 Cb 0.05 -1.29 0.04 0.00 0.10 0.00 0.00 34.13 33.03 1u46 s GLU 144 CO 0.13 0.32 -0.07 -0.46 0.02 0.00 0.00 175.26 175.20 1u46 s TRP 145 N -0.91 2.10 -0.69 1.61 -0.00 -0.53 -1.07 118.94 119.46 1u46 s TRP 145 Ca 0.05 -1.39 -0.27 0.00 -0.00 0.00 0.00 56.10 54.50 1u46 s TRP 145 Cb -0.09 -1.49 0.00 0.00 -0.00 0.00 0.00 33.47 31.90 1u46 s TRP 145 CO 0.02 -0.69 1.58 -0.51 -0.00 0.00 0.00 176.95 177.35 1u46 s ASP 146 N 1.50 5.72 0.42 5.86 1.01 -0.14 -1.59 116.67 129.44 1u46 s ASP 146 Ca -0.01 -0.11 -0.15 0.00 0.71 0.00 0.00 52.55 52.99 1u46 s ASP 146 Cb -0.16 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.14 1u46 s ASP 146 CO -0.08 -2.11 0.85 0.00 0.21 0.00 0.00 175.17 174.04 1u46 s ALA 147 N 7.42 3.21 0.60 5.23 0.00 -0.73 -4.86 121.76 132.63 1u46 s ALA 147 Ca 0.51 0.06 0.28 0.00 0.00 0.00 0.00 51.96 52.82 1u46 s ALA 147 Cb -0.10 -2.91 1.37 0.00 0.00 0.00 0.00 23.12 21.48 1u46 s ALA 147 CO 0.17 0.04 1.78 -1.00 0.00 0.00 0.00 175.76 176.74 1u46 h PRO 148 N 1.52 0.00 0.00 0.00 0.13 -1.94 0.25 132.00 131.96 1u46 h PRO 148 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1u46 h PRO 148 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1u46 h PRO 148 CO 0.63 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.27 1u46 n SER 149 N -3.53 0.00 0.00 1.44 3.41 -1.26 -4.84 113.62 108.84 1u46 n SER 149 Ca 0.10 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1u46 n SER 149 Cb 0.81 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1u46 n SER 149 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u46 n GLY 150 N -0.69 1.86 3.91 5.00 0.00 0.88 -5.03 105.19 111.12 1u46 n GLY 150 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.03 3.55 -0.14 1.61 1.02 -1.24 -4.86 119.74 119.65 1u46 s LYS 151 Ca 0.00 0.19 -0.02 0.00 0.02 0.00 0.00 55.97 56.15 1u46 s LYS 151 Cb 0.00 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.90 1u46 s LYS 151 CO 0.00 -0.18 -0.07 0.99 -0.92 0.00 0.00 175.35 175.17 1u46 s THR 152 N -2.70 3.56 -0.07 2.17 2.01 -1.26 -1.78 115.64 117.57 1u46 s THR 152 Ca 0.47 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 62.03 1u46 s THR 152 Cb -0.10 -2.54 -0.00 0.00 0.01 0.00 0.00 72.50 69.87 1u46 s THR 152 CO 0.44 0.51 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.98 1u46 s VAL 153 N 0.35 1.71 -0.01 3.82 1.01 -0.62 -4.95 120.40 121.71 1u46 s VAL 153 Ca -0.07 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1u46 s VAL 153 Cb -0.15 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1u46 s VAL 153 CO 0.04 0.48 1.27 -0.44 0.00 0.00 0.00 175.10 176.45 1u46 s SER 154 N 0.23 6.99 0.16 3.32 0.01 -1.26 -1.45 113.70 121.70 1u46 s SER 154 Ca -0.11 1.97 0.05 0.00 1.31 0.00 0.00 55.95 59.16 1u46 s SER 154 Cb -0.15 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 1u46 s SER 154 CO 0.05 -0.60 -0.10 0.68 0.41 0.00 0.00 173.24 173.68 1u46 s VAL 155 N 1.97 1.25 0.00 3.43 -7.23 -1.02 -4.10 120.40 114.70 1u46 s VAL 155 Ca 0.59 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 1u46 s VAL 155 Cb -0.28 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 1u46 s VAL 155 CO 0.25 -0.69 0.03 0.00 -0.31 0.00 0.00 175.10 174.38 1u46 s ALA 156 N -3.28 3.39 -0.11 1.32 0.00 -0.35 -0.89 121.76 121.84 1u46 s ALA 156 Ca 0.18 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1u46 s ALA 156 Cb 0.02 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.75 1u46 s ALA 156 CO 0.02 0.66 -0.09 0.08 0.00 0.00 0.00 175.76 176.43 1u46 s VAL 157 N -1.13 1.11 -0.78 0.00 1.01 0.20 -1.43 120.40 119.38 1u46 s VAL 157 Ca 0.21 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 1u46 s VAL 157 Cb -0.12 -1.09 0.11 0.00 0.00 0.00 0.00 36.38 35.29 1u46 s VAL 157 CO 0.12 0.38 0.98 -0.75 0.00 0.00 0.00 175.10 175.82 1u46 s LYS 158 N 1.44 3.35 -0.52 2.72 2.20 -0.63 0.03 119.74 128.33 1u46 s LYS 158 Ca 0.01 -1.46 -0.22 0.00 -0.36 0.00 0.00 55.97 53.94 1u46 s LYS 158 Cb -0.13 -4.57 0.05 0.00 -1.51 0.00 0.00 37.83 31.67 1u46 s LYS 158 CO -0.06 -1.71 0.78 0.00 -0.36 0.00 0.00 175.35 174.00 1u46 h PRO 168 N 9.14 -0.14 0.00 0.00 0.13 -2.04 -3.43 132.00 135.66 1u46 h PRO 168 Ca -0.27 0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.73 1u46 h PRO 168 Cb 1.08 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1u46 h PRO 168 CO 1.02 0.22 -0.67 0.93 -0.23 0.00 0.00 178.00 179.28 1u46 h GLU 169 N -0.97 0.00 -0.45 0.86 5.08 -2.06 -2.54 114.58 114.50 1u46 h GLU 169 Ca -0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1u46 h GLU 169 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1u46 h GLU 169 CO 0.02 0.67 -0.02 0.00 -1.00 0.00 0.00 179.01 178.69 1u46 h ALA 170 N 1.33 1.13 -0.34 3.43 0.00 -2.06 -2.54 119.26 120.22 1u46 h ALA 170 Ca -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1u46 h ALA 170 Cb 1.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1u46 h ALA 170 CO 0.09 0.56 0.09 1.98 0.00 0.00 0.00 179.25 181.97 1u46 h MET 171 N 0.69 0.54 -0.92 0.00 1.85 -1.98 -1.81 114.93 113.29 1u46 h MET 171 Ca 0.13 -0.12 0.11 0.00 -0.61 0.00 0.00 59.70 59.21 1u46 h MET 171 Cb 0.45 -0.07 -0.07 0.00 0.43 0.00 0.00 31.60 32.34 1u46 h MET 171 CO 0.02 0.58 0.59 -0.44 -0.40 0.00 0.00 176.91 177.26 1u46 h ASP 172 N 0.39 0.81 0.01 1.39 3.32 -1.18 -2.14 116.42 119.02 1u46 h ASP 172 Ca 0.11 0.03 -0.27 0.00 0.02 0.00 0.00 57.03 56.92 1u46 h ASP 172 Cb 0.28 -0.13 0.02 0.00 0.22 0.00 0.00 39.33 39.72 1u46 h ASP 172 CO -0.00 0.45 -1.05 0.44 -1.72 0.00 0.00 179.24 177.36 1u46 h ASP 173 N 0.88 0.91 -0.67 6.45 3.32 -1.19 -1.85 116.42 124.27 1u46 h ASP 173 Ca 0.44 -0.74 0.06 0.00 0.02 0.00 0.00 57.03 56.82 1u46 h ASP 173 Cb 0.49 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 1u46 h ASP 173 CO -0.21 1.54 0.37 0.15 -1.72 0.00 0.00 179.24 179.37 1u46 h PHE 174 N 0.39 0.68 -0.15 4.55 3.57 -1.07 -2.43 116.94 122.49 1u46 h PHE 174 Ca -0.13 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.28 1u46 h PHE 174 Cb 1.71 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.24 1u46 h PHE 174 CO 0.10 0.33 -0.37 0.82 -2.23 0.00 0.00 178.31 176.96 1u46 h ILE 175 N 0.69 1.36 -0.71 1.41 2.04 -1.37 -2.10 117.51 118.81 1u46 h ILE 175 Ca 0.30 -1.64 0.11 0.00 1.00 0.00 0.00 64.86 64.63 1u46 h ILE 175 Cb 0.18 2.01 -0.08 0.00 -0.74 0.00 0.00 36.82 38.20 1u46 h ILE 175 CO -0.18 0.49 0.32 0.03 0.00 0.00 0.00 178.15 178.81 1u46 h ARG 176 N 0.14 0.50 -0.14 2.37 3.08 -1.25 -0.47 114.38 118.61 1u46 h ARG 176 Ca -0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1u46 h ARG 176 Cb 0.98 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1u46 h ARG 176 CO 0.08 0.33 0.01 1.49 -1.07 0.00 0.00 179.97 180.81 1u46 h GLU 177 N 0.52 0.24 -0.30 0.04 4.81 -1.35 0.13 114.58 118.67 1u46 h GLU 177 Ca 0.37 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.58 1u46 h GLU 177 Cb 0.47 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 1u46 h GLU 177 CO -0.33 0.44 0.03 0.28 -0.73 0.00 0.00 179.01 178.71 1u46 h VAL 178 N -0.00 0.82 -0.85 0.32 2.07 -1.22 -2.02 116.25 115.36 1u46 h VAL 178 Ca 0.04 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1u46 h VAL 178 Cb 0.33 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1u46 h VAL 178 CO 0.00 0.02 0.45 0.78 0.02 0.00 0.00 177.57 178.84 1u46 h ASN 179 N 0.13 1.08 0.51 0.57 -0.26 -0.92 -1.30 115.58 115.40 1u46 h ASN 179 Ca 0.14 -0.11 -0.19 0.00 -0.56 0.00 0.00 56.30 55.58 1u46 h ASN 179 Cb 0.17 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 1u46 h ASN 179 CO -0.21 0.88 -0.82 0.00 -1.06 0.00 0.00 177.43 176.22 1u46 h ALA 180 N 1.24 0.58 0.00 -0.83 0.00 -0.59 -2.97 119.26 116.69 1u46 h ALA 180 Ca 0.30 -0.68 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1u46 h ALA 180 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1u46 h ALA 180 CO -0.04 0.87 -0.29 0.52 0.00 0.00 0.00 179.25 180.30 1u46 h MET 181 N 0.13 0.00 0.46 0.00 2.86 -1.20 -3.36 114.93 113.82 1u46 h MET 181 Ca -0.04 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1u46 h MET 181 Cb 1.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.08 1u46 h MET 181 CO 0.13 0.29 -0.22 1.25 1.06 0.00 0.00 176.91 179.42 1u46 h HIS 182 N 0.00 -0.57 -0.74 -0.22 6.17 -1.07 -2.21 115.15 116.51 1u46 h HIS 182 Ca -0.00 -0.01 0.14 0.00 0.71 0.00 0.00 60.37 61.20 1u46 h HIS 182 Cb 0.80 0.19 -0.13 0.00 2.52 0.00 0.00 27.41 30.79 1u46 h HIS 182 CO 0.00 -0.29 -0.22 -1.13 0.71 0.00 0.00 177.93 177.01 1u46 n SER 183 N -5.30 -0.33 -4.76 3.26 3.41 -1.25 -4.83 113.62 103.82 1u46 n SER 183 Ca -0.11 1.28 -0.39 0.00 -0.26 0.00 0.00 58.87 59.38 1u46 n SER 183 Cb 0.29 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 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 -10.34 4.46 -0.38 1.04 1.02 -0.83 -5.06 118.68 108.59 1u46 s LEU 184 Ca -0.11 2.22 0.07 0.00 0.02 0.00 0.00 54.13 56.33 1u46 s LEU 184 Cb 0.18 -3.75 0.18 0.00 0.02 0.00 0.00 46.19 42.82 1u46 s LEU 184 CO 0.56 -0.23 0.60 -0.62 0.02 0.00 0.00 176.35 176.69 1u46 s ASP 185 N -1.03 -1.38 -0.00 2.29 2.15 -1.26 -4.84 116.67 112.59 1u46 s ASP 185 Ca 0.47 -0.62 -0.06 0.00 0.43 0.00 0.00 52.55 52.77 1u46 s ASP 185 Cb -0.30 1.89 0.00 0.00 -0.30 0.00 0.00 42.92 44.22 1u46 s ASP 185 CO 0.38 -0.20 0.11 -2.28 -0.17 0.00 0.00 175.17 173.01 1u46 s HIS 186 N 2.03 0.04 0.35 -5.34 2.46 -1.26 -5.05 115.29 108.52 1u46 s HIS 186 Ca 0.15 -0.09 0.37 0.00 0.47 0.00 0.00 55.06 55.95 1u46 s HIS 186 Cb -0.06 -0.05 1.77 0.00 -0.13 0.00 0.00 32.58 34.11 1u46 s HIS 186 CO -0.11 -0.23 2.14 0.07 -2.47 0.00 0.00 174.74 174.14 1u46 h ARG 187 N 4.64 0.00 -0.61 2.88 0.11 -1.98 -2.02 114.38 117.39 1u46 h ARG 187 Ca -0.30 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.60 1u46 h ARG 187 Cb 1.20 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 32.17 1u46 h ARG 187 CO 0.41 0.02 0.19 0.09 0.10 0.00 0.00 179.97 180.78 1u46 n ASN 188 N -3.15 4.32 -4.06 0.08 4.13 -1.26 -4.81 115.26 110.50 1u46 n ASN 188 Ca -0.01 -3.28 -0.23 0.00 1.68 0.00 0.00 54.58 52.74 1u46 n ASN 188 Cb 0.21 -0.70 -0.16 0.00 -1.54 0.00 0.00 39.78 37.60 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 -3.02 1.86 0.20 3.41 1.43 -0.76 -0.89 118.68 120.90 1u46 s LEU 189 Ca 0.52 -0.25 -0.31 0.00 -1.03 0.00 0.00 54.13 53.06 1u46 s LEU 189 Cb 0.42 -0.72 -0.09 0.00 0.03 0.00 0.00 46.19 45.83 1u46 s LEU 189 CO 0.11 0.11 1.44 -0.63 0.23 0.00 0.00 176.35 177.61 1u46 s ILE 190 N 0.09 2.84 -0.06 -0.59 -1.09 -0.69 -4.64 121.20 117.05 1u46 s ILE 190 Ca -0.03 0.66 -0.16 0.00 -2.23 0.00 0.00 60.65 58.89 1u46 s ILE 190 Cb -0.09 -3.42 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 1u46 s ILE 190 CO 0.01 0.08 0.42 -0.13 -1.23 0.00 0.00 174.94 174.10 1u46 s ARG 191 N 0.27 4.14 -0.19 2.79 0.52 -1.26 -4.94 118.95 120.29 1u46 s ARG 191 Ca 0.62 0.40 -0.29 0.00 -0.52 0.00 0.00 55.73 55.94 1u46 s ARG 191 Cb -0.41 -3.33 -0.01 0.00 0.52 0.00 0.00 34.95 31.72 1u46 s ARG 191 CO 0.37 0.42 1.27 -1.17 0.02 0.00 0.00 175.30 176.22 1u46 s LEU 192 N -0.21 4.13 -0.12 2.53 0.20 -1.26 -1.42 118.68 122.53 1u46 s LEU 192 Ca 0.24 1.62 -0.08 0.00 0.69 0.00 0.00 54.13 56.60 1u46 s LEU 192 Cb -0.16 -3.54 -0.26 0.00 -0.43 0.00 0.00 46.19 41.80 1u46 s LEU 192 CO 0.11 -0.82 0.39 1.88 -0.29 0.00 0.00 176.35 177.62 1u46 h TYR 193 N 8.40 0.47 0.00 5.38 0.99 -0.69 -3.43 116.97 128.10 1u46 h TYR 193 Ca -0.26 -0.35 0.00 0.00 2.00 0.00 0.00 58.73 60.12 1u46 h TYR 193 Cb 1.10 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.81 1u46 h TYR 193 CO 0.81 1.76 0.00 0.41 -0.00 0.00 0.00 178.16 181.14 1u46 n GLY 194 N 1.95 -1.18 2.92 3.88 0.00 -0.89 -1.94 105.19 109.92 1u46 n GLY 194 Ca -0.31 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 1u46 n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u46 s VAL 195 N -3.00 0.39 -0.41 1.61 1.01 0.13 0.28 120.40 120.42 1u46 s VAL 195 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 1u46 s VAL 195 Cb 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 36.02 1u46 s VAL 195 CO 0.00 0.14 0.35 -0.69 0.00 0.00 0.00 175.10 174.90 1u46 s VAL 196 N 0.26 5.19 -2.50 2.92 1.01 -0.04 -0.65 120.40 126.59 1u46 s VAL 196 Ca -0.03 -0.49 0.25 0.00 0.00 0.00 0.00 61.98 61.71 1u46 s VAL 196 Cb -0.06 -3.95 0.46 0.00 0.00 0.00 0.00 36.38 32.82 1u46 s VAL 196 CO -0.00 -0.33 1.59 0.18 0.00 0.00 0.00 175.10 176.54 1u46 n LEU 197 N 5.33 1.92 -4.60 3.92 4.77 -1.26 -1.92 117.00 125.17 1u46 n LEU 197 Ca -0.10 -0.71 -0.42 0.00 -0.03 0.00 0.00 56.01 54.76 1u46 n LEU 197 Cb 0.47 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 1u46 n LEU 197 CO 0.43 0.35 0.58 0.42 -1.33 0.00 0.00 177.39 177.84 1u46 s THR 198 N -1.90 4.76 0.41 -5.08 -4.23 -1.26 -4.86 115.64 103.47 1u46 s THR 198 Ca 0.35 0.98 -0.25 0.00 -1.18 0.00 0.00 61.69 61.59 1u46 s THR 198 Cb 0.20 -4.19 -0.11 0.00 1.34 0.00 0.00 72.50 69.75 1u46 s THR 198 CO 0.31 -0.37 1.13 -2.65 -0.54 0.00 0.00 174.62 172.50 1u46 n PRO 199 N 6.34 1.63 -2.68 3.99 -0.02 -1.26 -3.90 135.00 139.11 1u46 n PRO 199 Ca 0.03 0.58 -0.40 0.00 -2.02 0.00 0.00 63.50 61.69 1u46 n PRO 199 Cb 0.48 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.73 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 -2.05 4.76 0.77 0.52 0.04 -1.26 -5.13 135.00 132.65 1u46 s PRO 200 Ca 0.61 1.56 -0.12 0.00 0.04 0.00 0.00 61.00 63.09 1u46 s PRO 200 Cb -0.55 -3.28 0.06 0.00 0.04 0.00 0.00 34.50 30.77 1u46 s PRO 200 CO 0.58 0.36 1.13 -1.64 0.04 0.00 0.00 177.00 177.47 1u46 s MET 201 N -0.90 2.09 -0.10 4.56 -1.94 -1.25 -4.98 119.30 116.78 1u46 s MET 201 Ca 0.44 1.42 -0.08 0.00 -1.71 0.00 0.00 55.69 55.76 1u46 s MET 201 Cb -0.27 -1.86 0.03 0.00 2.01 0.00 0.00 34.83 34.74 1u46 s MET 201 CO 0.33 -1.81 0.26 0.15 -0.01 0.00 0.00 175.02 173.95 1u46 s LYS 202 N -4.45 0.28 -0.24 2.03 1.02 -0.81 -4.64 119.74 112.94 1u46 s LYS 202 Ca 0.66 0.42 -0.09 0.00 0.02 0.00 0.00 55.97 56.98 1u46 s LYS 202 Cb -0.22 0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.13 1u46 s LYS 202 CO 0.51 -0.07 0.12 -1.64 -0.92 0.00 0.00 175.35 173.35 1u46 s MET 203 N 0.46 3.92 -0.36 1.68 -1.94 -0.95 -0.86 119.30 121.25 1u46 s MET 203 Ca -0.03 -0.35 -0.15 0.00 -1.71 0.00 0.00 55.69 53.45 1u46 s MET 203 Cb -0.04 -3.44 -0.00 0.00 2.01 0.00 0.00 34.83 33.36 1u46 s MET 203 CO -0.02 0.00 0.36 0.08 -0.01 0.00 0.00 175.02 175.43 1u46 s VAL 204 N 1.18 5.17 0.35 -6.03 1.01 0.14 -1.60 120.40 120.61 1u46 s VAL 204 Ca 0.06 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.02 1u46 s VAL 204 Cb -0.14 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 1u46 s VAL 204 CO 0.05 -0.17 -0.08 0.42 0.00 0.00 0.00 175.10 175.32 1u46 s THR 205 N 1.99 2.28 0.38 3.92 -4.23 -0.51 0.05 115.64 119.52 1u46 s THR 205 Ca 0.11 -2.17 -0.24 0.00 -1.18 0.00 0.00 61.69 58.21 1u46 s THR 205 Cb -0.17 -2.68 -0.13 0.00 1.34 0.00 0.00 72.50 70.86 1u46 s THR 205 CO 0.12 -0.19 0.69 1.21 -0.54 0.00 0.00 174.62 175.91 1u46 n GLU 206 N -0.82 0.76 -4.13 3.99 2.13 -0.51 -1.21 120.64 120.85 1u46 n GLU 206 Ca -0.05 0.27 -0.35 0.00 0.66 0.00 0.00 57.16 57.70 1u46 n GLU 206 Cb 0.63 -1.59 -0.09 0.00 0.27 0.00 0.00 31.44 30.66 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 1.32 3.79 -0.57 4.31 2.96 -1.26 -4.21 118.68 125.03 1u46 s LEU 207 Ca 0.62 0.14 -0.18 0.00 -0.22 0.00 0.00 54.13 54.50 1u46 s LEU 207 Cb -0.65 -1.92 0.11 0.00 0.50 0.00 0.00 46.19 44.23 1u46 s LEU 207 CO 0.58 0.27 0.62 0.00 -1.32 0.00 0.00 176.35 176.50 1u46 s ALA 208 N -0.22 3.50 0.41 5.97 0.00 -1.26 -4.97 121.76 125.20 1u46 s ALA 208 Ca 0.07 -2.33 0.16 0.00 0.00 0.00 0.00 51.96 49.86 1u46 s ALA 208 Cb -0.12 -3.42 1.04 0.00 0.00 0.00 0.00 23.12 20.62 1u46 s ALA 208 CO 0.02 -2.20 1.89 -1.35 0.00 0.00 0.00 175.76 174.11 1u46 h PRO 209 N 9.06 0.43 -0.01 0.00 0.11 -1.72 -1.20 132.00 138.67 1u46 h PRO 209 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1u46 h PRO 209 Cb 1.09 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1u46 h PRO 209 CO 1.07 0.29 -0.13 1.28 -0.21 0.00 0.00 178.00 180.30 1u46 n LEU 210 N -4.50 0.98 0.00 2.35 4.77 -0.55 -5.03 117.00 115.01 1u46 n LEU 210 Ca 0.17 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1u46 n LEU 210 Cb 0.59 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1u46 n LEU 210 CO 0.31 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1u46 n GLY 211 N 1.25 0.49 3.66 -0.72 0.00 -0.45 -4.72 105.19 104.71 1u46 n GLY 211 Ca 0.15 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 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 6.42 0.17 1.61 0.15 -1.26 -0.37 113.70 116.42 1u46 s SER 212 Ca 0.00 2.59 -0.14 0.00 0.70 0.00 0.00 55.95 59.10 1u46 s SER 212 Cb 0.00 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 61.85 1u46 s SER 212 CO 0.00 -1.09 1.80 0.25 1.20 0.00 0.00 173.24 175.40 1u46 h LEU 213 N 10.81 0.66 -0.58 3.45 5.85 -1.63 -2.87 115.31 131.01 1u46 h LEU 213 Ca -0.48 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.22 1u46 h LEU 213 Cb 1.23 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1u46 h LEU 213 CO 0.94 0.53 0.30 0.25 -0.34 0.00 0.00 178.44 180.13 1u46 h LEU 214 N 0.73 0.44 -0.97 2.25 5.85 -1.76 0.48 115.31 122.33 1u46 h LEU 214 Ca 0.19 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 1u46 h LEU 214 Cb -0.00 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1u46 h LEU 214 CO -0.04 0.29 -0.05 0.44 -0.34 0.00 0.00 178.44 178.75 1u46 h ASP 215 N 0.57 0.66 -0.07 1.25 3.32 -1.93 -2.10 116.42 118.12 1u46 h ASP 215 Ca 0.26 -0.17 -0.22 0.00 0.02 0.00 0.00 57.03 56.92 1u46 h ASP 215 Cb 0.16 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.54 1u46 h ASP 215 CO -0.17 0.77 -0.77 0.03 -1.72 0.00 0.00 179.24 177.38 1u46 h ARG 216 N 0.64 0.72 -0.47 3.56 3.08 -1.17 -2.35 114.38 118.40 1u46 h ARG 216 Ca 0.12 -0.59 0.04 0.00 0.07 0.00 0.00 59.98 59.63 1u46 h ARG 216 Cb 0.47 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 1u46 h ARG 216 CO 0.02 1.20 0.22 -0.07 -1.07 0.00 0.00 179.97 180.28 1u46 h LEU 217 N 0.50 0.31 -0.38 3.04 3.38 -0.72 -0.51 115.31 120.93 1u46 h LEU 217 Ca -0.05 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1u46 h LEU 217 Cb 1.39 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 1u46 h LEU 217 CO 0.15 0.22 0.12 0.03 0.09 0.00 0.00 178.44 179.05 1u46 h ARG 218 N 0.45 0.59 -0.18 1.13 3.08 -1.24 -1.07 114.38 117.14 1u46 h ARG 218 Ca 0.21 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 1u46 h ARG 218 Cb 0.13 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1u46 h ARG 218 CO -0.16 0.60 -0.34 0.87 -1.07 0.00 0.00 179.97 179.87 1u46 h LYS 219 N 0.46 0.55 0.00 0.04 1.57 -1.35 -3.38 116.57 114.46 1u46 h LYS 219 Ca 0.12 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1u46 h LYS 219 Cb 0.26 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1u46 h LYS 219 CO -0.00 0.96 -0.99 0.72 -0.57 0.00 0.00 179.45 179.57 1u46 n HIS 220 N -4.32 0.00 0.00 -1.35 8.25 -0.21 -5.02 115.22 112.58 1u46 n HIS 220 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1u46 n HIS 220 Cb 0.50 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1u46 n HIS 220 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1u46 n GLN 221 N -1.53 0.00 0.22 -0.41 6.02 -0.40 -1.14 117.38 120.14 1u46 n GLN 221 Ca 0.02 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.16 1u46 n GLN 221 Cb 0.30 0.00 0.78 0.00 1.02 0.00 0.00 30.24 32.35 1u46 n GLN 221 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1u46 h GLY 222 N 0.00 0.00 -0.68 1.08 0.00 -1.95 -1.01 103.07 100.51 1u46 h GLY 222 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.59 1u46 h GLY 222 CO 0.00 0.00 0.19 0.84 0.00 0.00 0.00 176.54 177.57 1u46 h HIS 223 N 0.00 0.25 -3.09 5.60 6.17 -1.55 -3.36 115.15 119.18 1u46 h HIS 223 Ca 0.00 0.06 -0.55 0.00 0.71 0.00 0.00 60.37 60.58 1u46 h HIS 223 Cb 0.02 0.04 -0.08 0.00 2.52 0.00 0.00 27.41 29.92 1u46 h HIS 223 CO 0.00 -0.32 0.97 -0.06 0.71 0.00 0.00 177.93 179.24 1u46 s PHE 224 N -5.92 2.57 0.78 5.26 0.08 -0.38 -5.00 117.98 115.36 1u46 s PHE 224 Ca -0.12 0.34 -0.11 0.00 0.12 0.00 0.00 56.93 57.16 1u46 s PHE 224 Cb 0.28 -4.51 0.06 0.00 -0.57 0.00 0.00 43.02 38.27 1u46 s PHE 224 CO 0.77 -1.64 1.08 -0.51 -0.10 0.00 0.00 175.22 174.82 1u46 s LEU 225 N 5.02 2.85 0.25 -0.37 1.43 -1.26 -4.83 118.68 121.77 1u46 s LEU 225 Ca 0.41 1.61 -0.03 0.00 -1.03 0.00 0.00 54.13 55.09 1u46 s LEU 225 Cb -0.08 -4.30 0.41 0.00 0.03 0.00 0.00 46.19 42.26 1u46 s LEU 225 CO 0.24 -1.96 1.83 -0.07 0.23 0.00 0.00 176.35 176.61 1u46 h LEU 226 N -1.08 0.77 -0.71 1.79 3.38 -1.94 -1.97 115.31 115.56 1u46 h LEU 226 Ca -0.45 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.59 1u46 h LEU 226 Cb 1.24 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1u46 h LEU 226 CO 0.55 0.44 0.44 1.23 0.09 0.00 0.00 178.44 181.20 1u46 h GLY 227 N 0.88 1.02 0.95 0.83 0.00 -1.92 -1.90 103.07 102.93 1u46 h GLY 227 Ca 0.41 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1u46 h GLY 227 CO -0.23 0.29 0.15 -0.84 0.00 0.00 0.00 176.54 175.91 1u46 h THR 228 N 0.87 1.14 -0.64 4.70 2.02 -1.73 -1.54 112.91 117.73 1u46 h THR 228 Ca 0.28 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 67.12 1u46 h THR 228 Cb 0.01 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1u46 h THR 228 CO -0.11 0.14 0.40 -0.07 0.37 0.00 0.00 175.52 176.25 1u46 h LEU 229 N 0.35 0.65 -0.58 2.58 3.38 -1.30 0.18 115.31 120.56 1u46 h LEU 229 Ca 0.10 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1u46 h LEU 229 Cb 0.08 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1u46 h LEU 229 CO -0.02 0.46 0.35 -1.28 0.09 0.00 0.00 178.44 178.04 1u46 h SER 230 N 0.78 0.70 -0.24 -0.43 0.87 -1.26 0.11 113.55 114.08 1u46 h SER 230 Ca 0.25 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1u46 h SER 230 Cb 0.01 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1u46 h SER 230 CO -0.10 0.55 0.15 -0.09 -0.53 0.00 0.00 176.83 176.82 1u46 h ARG 231 N 0.79 0.31 -0.92 2.24 1.12 -0.59 -1.35 114.38 115.98 1u46 h ARG 231 Ca 0.21 -0.02 0.05 0.00 -1.11 0.00 0.00 59.98 59.11 1u46 h ARG 231 Cb -0.02 -0.07 -0.06 0.00 -0.01 0.00 0.00 29.97 29.81 1u46 h ARG 231 CO -0.04 0.20 0.59 1.88 -3.11 0.00 0.00 179.97 179.49 1u46 h TYR 232 N 0.31 1.10 -0.77 2.20 0.05 -0.26 -1.53 116.97 118.07 1u46 h TYR 232 Ca 0.09 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.84 1u46 h TYR 232 Cb -0.03 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.32 1u46 h TYR 232 CO -0.07 0.61 0.26 0.00 -1.05 0.00 0.00 178.16 177.91 1u46 h ALA 233 N 1.39 1.01 -0.46 3.88 0.00 -0.42 -1.06 119.26 123.61 1u46 h ALA 233 Ca 0.38 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1u46 h ALA 233 Cb 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1u46 h ALA 233 CO -0.14 0.67 -0.26 0.28 0.00 0.00 0.00 179.25 179.80 1u46 h VAL 234 N 1.13 1.27 -0.52 0.00 2.07 -0.98 -1.00 116.25 118.23 1u46 h VAL 234 Ca 0.25 -1.43 -0.08 0.00 0.82 0.00 0.00 66.70 66.27 1u46 h VAL 234 Cb 0.28 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1u46 h VAL 234 CO -0.01 0.49 0.03 1.56 0.02 0.00 0.00 177.57 179.66 1u46 h GLN 235 N 0.83 0.90 -0.59 1.57 4.20 -0.90 0.20 115.11 121.32 1u46 h GLN 235 Ca 0.10 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.56 1u46 h GLN 235 Cb 0.84 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.50 1u46 h GLN 235 CO 0.07 0.91 0.37 0.28 -0.67 0.00 0.00 178.83 179.79 1u46 h VAL 236 N 0.77 1.08 -0.60 -0.54 2.07 -1.03 -0.09 116.25 117.90 1u46 h VAL 236 Ca 0.15 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1u46 h VAL 236 Cb 0.48 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1u46 h VAL 236 CO 0.02 0.13 0.40 0.00 0.02 0.00 0.00 177.57 178.14 1u46 h ALA 237 N 1.25 1.59 -0.08 1.67 0.00 -0.81 -0.31 119.26 122.57 1u46 h ALA 237 Ca 0.24 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1u46 h ALA 237 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1u46 h ALA 237 CO -0.09 0.37 -0.37 0.93 0.00 0.00 0.00 179.25 180.09 1u46 h GLU 238 N 0.80 0.40 -0.34 0.00 5.08 -0.36 0.38 114.58 120.53 1u46 h GLU 238 Ca 0.23 -0.32 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1u46 h GLU 238 Cb -0.06 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.17 1u46 h GLU 238 CO -0.05 0.95 -0.34 0.78 -1.00 0.00 0.00 179.01 179.35 1u46 h GLY 239 N -0.07 -0.35 2.00 -3.84 0.00 -0.71 -2.47 103.07 97.63 1u46 h GLY 239 Ca -0.02 0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.70 1u46 h GLY 239 CO 0.08 -0.21 -0.20 -0.33 0.00 0.00 0.00 176.54 175.88 1u46 h MET 240 N -0.30 0.00 -0.11 4.80 2.86 -0.98 -2.57 114.93 118.63 1u46 h MET 240 Ca 0.15 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.66 1u46 h MET 240 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1u46 h MET 240 CO -0.51 0.20 -0.49 0.78 1.06 0.00 0.00 176.91 177.96 1u46 h GLY 241 N 1.60 0.32 0.74 8.32 0.00 -0.57 -0.31 103.07 113.18 1u46 h GLY 241 Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1u46 h GLY 241 CO 0.03 0.31 0.00 -1.82 0.00 0.00 0.00 176.54 175.06 1u46 h TYR 242 N 0.23 0.05 -0.58 5.60 5.03 -1.13 -0.89 116.97 125.29 1u46 h TYR 242 Ca 0.01 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.38 1u46 h TYR 242 Cb 0.95 -0.01 -0.06 0.00 1.55 0.00 0.00 36.73 39.16 1u46 h TYR 242 CO 0.02 0.30 0.26 -0.07 -1.32 0.00 0.00 178.16 177.35 1u46 h LEU 243 N -0.23 0.33 -0.51 2.82 3.38 -1.36 -2.26 115.31 117.49 1u46 h LEU 243 Ca 0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1u46 h LEU 243 Cb 0.28 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1u46 h LEU 243 CO 0.00 0.21 0.29 -0.08 0.09 0.00 0.00 178.44 178.95 1u46 h GLU 244 N 0.48 0.70 -0.24 1.13 4.81 -0.90 0.96 114.58 121.52 1u46 h GLU 244 Ca 0.27 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1u46 h GLU 244 Cb 0.26 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1u46 h GLU 244 CO -0.23 0.54 0.08 0.66 -0.73 0.00 0.00 179.01 179.33 1u46 h SER 245 N 0.68 0.29 -0.54 1.04 4.64 -0.88 -1.21 113.55 117.57 1u46 h SER 245 Ca 0.18 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1u46 h SER 245 Cb 0.03 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1u46 h SER 245 CO -0.03 0.28 0.00 0.29 -0.87 0.00 0.00 176.83 176.50 1u46 n LYS 246 N -4.43 2.40 -2.71 4.77 5.02 -0.88 -4.95 118.16 117.39 1u46 n LYS 246 Ca 0.00 -2.00 -0.19 0.00 -2.02 0.00 0.00 58.31 54.11 1u46 n LYS 246 Cb 0.13 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.68 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 1.05 -3.24 -4.12 1.97 1.74 -0.46 -4.90 116.66 108.70 1u46 n ARG 247 Ca 0.19 0.82 -0.35 0.00 -0.77 0.00 0.00 57.85 57.73 1u46 n ARG 247 Cb 0.50 -5.38 -0.09 0.00 -1.02 0.00 0.00 32.46 26.48 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 -3.02 3.31 -0.17 -1.55 0.08 0.23 -0.72 117.98 116.15 1u46 s PHE 248 Ca 0.17 0.25 -0.06 0.00 0.12 0.00 0.00 56.93 57.41 1u46 s PHE 248 Cb -0.07 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1u46 s PHE 248 CO 0.21 0.45 0.02 0.96 -0.10 0.00 0.00 175.22 176.76 1u46 s ILE 249 N -0.55 4.38 -0.01 0.64 -4.36 -0.76 -3.97 121.20 116.57 1u46 s ILE 249 Ca 0.11 -0.18 -0.22 0.00 -0.26 0.00 0.00 60.65 60.10 1u46 s ILE 249 Cb -0.12 -2.95 -0.21 0.00 1.25 0.00 0.00 42.46 40.43 1u46 s ILE 249 CO 0.02 0.48 1.13 -0.74 0.24 0.00 0.00 174.94 176.07 1u46 h HIS 250 N 6.65 0.44 0.00 1.37 -0.00 -1.90 -2.06 115.15 119.65 1u46 h HIS 250 Ca -0.35 -0.21 0.00 0.00 -0.00 0.00 0.00 60.37 59.81 1u46 h HIS 250 Cb 1.18 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.53 1u46 h HIS 250 CO 0.55 0.98 0.00 0.54 -0.00 0.00 0.00 177.93 180.00 1u46 n ARG 251 N -4.40 -1.19 -2.75 5.26 1.74 -1.26 -2.73 116.66 111.34 1u46 n ARG 251 Ca -0.09 0.30 -0.01 0.00 -0.77 0.00 0.00 57.85 57.27 1u46 n ARG 251 Cb 0.54 -4.37 0.09 0.00 -1.02 0.00 0.00 32.46 27.69 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 -0.59 -0.00 -4.64 0.55 2.03 -1.26 -4.90 116.55 107.74 1u46 n ASP 252 Ca 0.00 -2.15 -0.42 0.00 0.52 0.00 0.00 54.79 52.74 1u46 n ASP 252 Cb 0.30 0.13 -0.05 0.00 -0.72 0.00 0.00 41.12 40.78 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 -3.92 4.08 0.07 -2.67 2.96 -1.26 -4.84 118.68 113.09 1u46 s LEU 253 Ca 0.18 0.92 -0.27 0.00 -0.22 0.00 0.00 54.13 54.75 1u46 s LEU 253 Cb 0.39 -3.12 0.07 0.00 0.50 0.00 0.00 46.19 44.03 1u46 s LEU 253 CO -0.08 -0.51 0.64 0.00 -1.32 0.00 0.00 176.35 175.08 1u46 s ALA 254 N 2.82 -1.68 0.54 5.97 0.00 -1.26 -4.67 121.76 123.47 1u46 s ALA 254 Ca 0.33 0.86 0.20 0.00 0.00 0.00 0.00 51.96 53.35 1u46 s ALA 254 Cb -0.15 0.49 1.39 0.00 0.00 0.00 0.00 23.12 24.85 1u46 s ALA 254 CO 0.08 -0.60 2.15 0.00 0.00 0.00 0.00 175.76 177.40 1u46 h ALA 255 N 2.42 1.95 0.00 0.00 0.00 -1.92 -0.40 119.26 121.30 1u46 h ALA 255 Ca -0.31 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1u46 h ALA 255 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1u46 h ALA 255 CO 0.38 -0.07 -0.07 0.07 0.00 0.00 0.00 179.25 179.57 1u46 h ARG 256 N 0.00 0.00 -0.58 0.00 0.11 -1.96 -1.50 114.38 110.45 1u46 h ARG 256 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1u46 h ARG 256 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 1u46 h ARG 256 CO -0.00 0.07 0.00 0.09 0.10 0.00 0.00 179.97 180.23 1u46 n ASN 257 N -4.07 2.97 -4.54 0.08 3.02 -0.16 -4.87 115.26 107.69 1u46 n ASN 257 Ca -0.03 -2.25 -0.34 0.00 -0.03 0.00 0.00 54.58 51.93 1u46 n ASN 257 Cb 0.15 -0.44 -0.12 0.00 -0.61 0.00 0.00 39.78 38.77 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 -1.28 3.27 0.06 3.41 1.43 -0.56 0.15 118.68 125.15 1u46 s LEU 258 Ca 0.30 -0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.42 1u46 s LEU 258 Cb 0.19 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 1u46 s LEU 258 CO 0.15 0.25 -0.23 -0.76 0.23 0.00 0.00 176.35 175.99 1u46 s LEU 259 N -0.12 2.19 -0.39 1.79 1.43 -0.56 -1.79 118.68 121.23 1u46 s LEU 259 Ca 0.02 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.39 1u46 s LEU 259 Cb -0.13 -1.08 0.01 0.00 0.03 0.00 0.00 46.19 45.01 1u46 s LEU 259 CO 0.03 0.18 0.37 -0.76 0.23 0.00 0.00 176.35 176.40 1u46 s LEU 260 N -1.33 4.76 -0.02 1.79 1.43 0.51 -1.46 118.68 124.35 1u46 s LEU 260 Ca 0.09 -0.57 -0.26 0.00 -1.03 0.00 0.00 54.13 52.37 1u46 s LEU 260 Cb -0.09 -2.30 -0.20 0.00 0.03 0.00 0.00 46.19 43.62 1u46 s LEU 260 CO 0.02 -0.45 1.26 0.00 0.23 0.00 0.00 176.35 177.41 1u46 h ALA 261 N 8.61 0.01 -2.25 4.21 0.00 -1.37 -1.46 119.26 127.00 1u46 h ALA 261 Ca -0.28 -0.25 -0.47 0.00 0.00 0.00 0.00 54.91 53.91 1u46 h ALA 261 Cb 1.13 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 1u46 h ALA 261 CO 0.74 -0.24 -0.53 0.95 0.00 0.00 0.00 179.25 180.16 1u46 s THR 262 N -4.21 0.36 0.53 0.00 -4.23 -1.12 -4.16 115.64 102.80 1u46 s THR 262 Ca -0.16 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.63 1u46 s THR 262 Cb 0.02 -2.47 0.44 0.00 1.34 0.00 0.00 72.50 71.83 1u46 s THR 262 CO 0.68 0.00 1.93 0.03 -0.54 0.00 0.00 174.62 176.72 1u46 h ARG 263 N 2.08 0.03 -0.32 3.99 3.08 -2.02 -2.82 114.38 118.40 1u46 h ARG 263 Ca -0.33 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1u46 h ARG 263 Cb 1.25 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1u46 h ARG 263 CO 0.51 0.02 0.00 -0.25 -1.07 0.00 0.00 179.97 179.18 1u46 n ASP 264 N -4.32 3.18 -3.69 7.04 8.00 -1.26 -4.96 116.55 120.54 1u46 n ASP 264 Ca 0.15 -1.92 -0.14 0.00 0.71 0.00 0.00 54.79 53.59 1u46 n ASP 264 Cb 0.81 -0.20 -0.14 0.00 -0.02 0.00 0.00 41.12 41.57 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 -1.37 0.03 0.07 0.64 2.96 -1.06 -5.00 118.68 114.95 1u46 s LEU 265 Ca 0.33 0.48 0.08 0.00 -0.22 0.00 0.00 54.13 54.79 1u46 s LEU 265 Cb 0.19 0.56 -0.03 0.00 0.50 0.00 0.00 46.19 47.41 1u46 s LEU 265 CO 0.27 -0.21 -0.19 0.54 -1.32 0.00 0.00 176.35 175.44 1u46 s VAL 266 N 1.99 2.73 0.04 1.68 0.11 -1.26 -0.99 120.40 124.69 1u46 s VAL 266 Ca -0.02 -1.32 0.03 0.00 -2.93 0.00 0.00 61.98 57.74 1u46 s VAL 266 Cb -0.12 -2.18 -0.02 0.00 -1.53 0.00 0.00 36.38 32.53 1u46 s VAL 266 CO -0.07 0.26 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.33 1u46 s LYS 267 N -1.65 0.56 -0.14 1.54 1.02 -0.53 -4.57 119.74 115.96 1u46 s LYS 267 Ca 0.15 -0.75 -0.29 0.00 0.02 0.00 0.00 55.97 55.10 1u46 s LYS 267 Cb -0.10 -0.37 -0.01 0.00 -0.52 0.00 0.00 37.83 36.83 1u46 s LYS 267 CO 0.06 0.07 1.00 0.42 -0.92 0.00 0.00 175.35 175.98 1u46 s ILE 268 N -1.30 4.77 -0.33 2.17 1.01 -0.07 -1.50 121.20 125.96 1u46 s ILE 268 Ca -0.08 2.01 0.16 0.00 0.00 0.00 0.00 60.65 62.73 1u46 s ILE 268 Cb -0.10 -4.30 -0.22 0.00 0.01 0.00 0.00 42.46 37.86 1u46 s ILE 268 CO 0.01 -0.03 0.49 0.61 0.00 0.00 0.00 174.94 176.02 1u46 n GLY 269 N 3.17 -0.64 3.06 6.18 0.00 0.12 -1.71 105.19 115.37 1u46 n GLY 269 Ca 0.09 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 1u46 n GLY 269 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u46 s ASP 270 N -3.30 0.93 0.00 1.61 3.68 -1.26 -4.86 116.67 113.48 1u46 s ASP 270 Ca -0.01 -0.49 0.11 0.00 2.13 0.00 0.00 52.55 54.29 1u46 s ASP 270 Cb 0.11 0.01 0.18 0.00 -1.45 0.00 0.00 42.92 41.77 1u46 s ASP 270 CO 0.67 -0.15 1.06 0.49 0.13 0.00 0.00 175.17 177.37 1u46 n PHE 271 N 1.66 0.00 0.31 -5.34 3.01 -1.26 -4.97 117.46 110.88 1u46 n PHE 271 Ca -0.21 -0.22 0.15 0.00 1.01 0.00 0.00 57.45 58.18 1u46 n PHE 271 Cb 0.55 -0.08 0.66 0.00 -0.01 0.00 0.00 39.48 40.60 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 0.42 0.00 -0.47 1.37 0.00 -1.94 -2.43 103.07 100.02 1u46 h GLY 272 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1u46 h GLY 272 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.62 1u46 n LEU 273 N -2.59 1.85 -4.71 3.11 4.77 -1.26 -4.91 117.00 113.26 1u46 n LEU 273 Ca 0.00 -1.44 -0.42 0.00 -0.03 0.00 0.00 56.01 54.12 1u46 n LEU 273 Cb 0.19 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1u46 n LEU 273 CO 0.20 0.43 1.13 -0.32 -1.33 0.00 0.00 177.39 177.51 1u46 s MET 274 N -0.67 4.28 -0.05 3.23 1.75 -0.92 -4.65 119.30 122.27 1u46 s MET 274 Ca 0.08 2.16 0.06 0.00 -1.25 0.00 0.00 55.69 56.73 1u46 s MET 274 Cb 0.05 -3.29 -0.01 0.00 2.84 0.00 0.00 34.83 34.42 1u46 s MET 274 CO 0.07 -0.52 -0.23 1.03 -0.65 0.00 0.00 175.02 174.71 1u46 s ARG 275 N 1.37 2.37 0.23 4.11 1.81 -0.78 -4.87 118.95 123.20 1u46 s ARG 275 Ca 0.67 -0.84 -0.32 0.00 -1.72 0.00 0.00 55.73 53.51 1u46 s ARG 275 Cb -0.38 -2.03 -0.13 0.00 -0.45 0.00 0.00 34.95 31.96 1u46 s ARG 275 CO 0.30 0.36 1.60 0.00 -0.68 0.00 0.00 175.30 176.89 1u46 n ALA 276 N 2.97 2.16 -1.79 2.13 0.00 -1.26 -1.82 120.51 122.89 1u46 n ALA 276 Ca -0.17 0.40 -0.35 0.00 0.00 0.00 0.00 53.44 53.32 1u46 n ALA 276 Cb 0.52 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 1u46 n ALA 276 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u46 s LEU 277 N 0.45 3.99 0.63 0.00 1.43 0.11 -4.93 118.68 120.35 1u46 s LEU 277 Ca 0.71 1.97 -0.15 0.00 -1.03 0.00 0.00 54.13 55.63 1u46 s LEU 277 Cb -0.56 -4.38 -0.01 0.00 0.03 0.00 0.00 46.19 41.26 1u46 s LEU 277 CO 0.41 -0.62 1.09 -2.84 0.23 0.00 0.00 176.35 174.62 1u46 s PRO 278 N -2.88 3.00 0.00 1.29 0.02 -1.26 -4.98 135.00 130.19 1u46 s PRO 278 Ca 0.62 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.97 1u46 s PRO 278 Cb -0.19 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.35 1u46 s PRO 278 CO 0.23 -1.08 0.00 1.04 -0.33 0.00 0.00 177.00 176.86 1u46 n GLN 279 N -2.26 0.00 -0.56 5.54 6.02 -1.26 -4.71 117.38 120.15 1u46 n GLN 279 Ca 0.10 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.14 1u46 n GLN 279 Cb 0.52 -1.08 -0.03 0.00 1.02 0.00 0.00 30.24 30.67 1u46 n GLN 279 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1u46 n ASP 281 N 1.01 -3.01 -0.38 1.08 2.03 -1.26 -5.15 116.55 110.86 1u46 n ASP 281 Ca 0.00 0.59 0.07 0.00 0.52 0.00 0.00 54.79 55.97 1u46 n ASP 281 Cb 0.00 -1.73 0.01 0.00 -0.72 0.00 0.00 41.12 38.68 1u46 n ASP 281 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1u46 n ASP 282 N -2.65 1.67 -3.36 1.67 10.43 -1.26 -5.00 116.55 118.05 1u46 n ASP 282 Ca -0.03 -1.33 -0.15 0.00 2.57 0.00 0.00 54.79 55.85 1u46 n ASP 282 Cb 0.24 0.36 -0.05 0.00 1.84 0.00 0.00 41.12 43.51 1u46 n ASP 282 CO 0.00 0.00 0.00 -1.38 -1.07 0.00 0.00 177.20 174.75 1u46 s HIS 283 N -1.61 1.13 0.20 1.24 -3.43 -1.26 -4.48 115.29 107.09 1u46 s HIS 283 Ca 0.13 -1.32 -0.01 0.00 -0.80 0.00 0.00 55.06 53.06 1u46 s HIS 283 Cb 0.12 -0.19 -0.04 0.00 -1.43 0.00 0.00 32.58 31.03 1u46 s HIS 283 CO 0.32 -1.06 0.12 -0.47 -2.00 0.00 0.00 174.74 171.65 1u46 s TYR 284 N -3.23 1.20 0.03 0.38 6.14 -0.42 -4.59 117.35 116.87 1u46 s TYR 284 Ca 0.32 -1.35 0.05 0.00 0.64 0.00 0.00 57.07 56.74 1u46 s TYR 284 Cb 0.00 -0.60 -0.02 0.00 0.42 0.00 0.00 41.96 41.76 1u46 s TYR 284 CO 0.20 -0.59 -0.16 0.08 0.64 0.00 0.00 175.55 175.72 1u46 s VAL 285 N -4.10 1.23 0.00 3.14 1.01 -1.26 -1.68 120.40 118.74 1u46 s VAL 285 Ca 0.38 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1u46 s VAL 285 Cb 0.07 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1u46 s VAL 285 CO 0.12 0.09 0.00 0.80 0.00 0.00 0.00 175.10 176.11 1u46 n MET 286 N 2.00 1.23 0.00 2.72 1.56 -1.12 -5.02 117.12 118.49 1u46 n MET 286 Ca -0.17 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.26 1u46 n MET 286 Cb 0.54 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.91 1u46 n MET 286 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1u46 n VAL 292 N 0.00 0.00 -1.61 1.12 0.31 -1.26 -5.04 118.33 111.85 1u46 n VAL 292 Ca 0.00 0.00 -0.62 0.00 -0.01 0.00 0.00 64.34 63.71 1u46 n VAL 292 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 1u46 n VAL 292 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1u46 n PRO 293 N -1.69 0.09 0.05 5.55 -0.02 -1.26 -4.85 135.00 132.87 1u46 n PRO 293 Ca 0.00 0.03 -0.04 0.00 -2.02 0.00 0.00 63.50 61.48 1u46 n PRO 293 Cb 0.00 -1.54 0.19 0.00 -0.02 0.00 0.00 33.50 32.13 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 3.99 0.42 0.00 6.00 0.04 -1.98 -3.05 116.94 122.37 1u46 h PHE 294 Ca -0.48 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.17 1u46 h PHE 294 Cb 1.40 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 39.45 1u46 h PHE 294 CO 0.61 0.70 -0.04 0.00 -0.60 0.00 0.00 178.31 178.98 1u46 h ALA 295 N 1.29 1.14 0.00 2.45 0.00 -1.89 -2.17 119.26 120.09 1u46 h ALA 295 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u46 h ALA 295 Cb 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1u46 h ALA 295 CO 0.06 0.05 -0.73 0.91 0.00 0.00 0.00 179.25 179.54 1u46 n TRP 296 N -3.34 0.33 -2.65 0.00 8.01 -1.15 -4.90 117.44 113.74 1u46 n TRP 296 Ca -0.02 0.10 -0.39 0.00 -1.31 0.00 0.00 57.50 55.88 1u46 n TRP 296 Cb 0.17 -0.49 -0.05 0.00 -2.01 0.00 0.00 31.31 28.93 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 -1.36 2.32 0.25 0.00 0.00 -1.26 -4.82 121.76 116.89 1u46 s ALA 298 Ca 0.47 0.44 -0.03 0.00 0.00 0.00 0.00 51.96 52.84 1u46 s ALA 298 Cb -0.25 -3.31 0.47 0.00 0.00 0.00 0.00 23.12 20.03 1u46 s ALA 298 CO 0.31 -1.58 1.76 -1.35 0.00 0.00 0.00 175.76 174.91 1u46 h PRO 299 N -0.57 0.58 -0.32 0.00 0.11 -1.95 -1.72 132.00 128.13 1u46 h PRO 299 Ca -0.45 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1u46 h PRO 299 Cb 1.24 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1u46 h PRO 299 CO 0.52 0.38 -0.08 1.05 -0.21 0.00 0.00 178.00 179.66 1u46 h GLU 300 N 0.60 0.54 -0.37 1.05 9.09 -1.92 0.48 114.58 124.05 1u46 h GLU 300 Ca 0.43 -0.14 -0.11 0.00 0.05 0.00 0.00 59.36 59.58 1u46 h GLU 300 Cb 0.57 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.60 1u46 h GLU 300 CO -0.34 0.62 -0.21 0.77 0.05 0.00 0.00 179.01 179.90 1u46 h SER 301 N 0.50 0.82 -0.31 3.06 0.02 -1.30 0.58 113.55 116.93 1u46 h SER 301 Ca 0.10 -0.42 -0.06 0.00 -0.84 0.00 0.00 61.79 60.57 1u46 h SER 301 Cb 0.45 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1u46 h SER 301 CO 0.02 1.06 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.67 1u46 h LEU 302 N 0.59 0.57 -0.08 5.07 3.38 -0.95 -0.86 115.31 123.03 1u46 h LEU 302 Ca 0.08 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1u46 h LEU 302 Cb 0.76 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1u46 h LEU 302 CO 0.06 0.77 -0.15 0.11 0.09 0.00 0.00 178.44 179.32 1u46 h LYS 303 N 0.36 0.25 0.00 1.13 1.57 -0.90 -3.40 116.57 115.57 1u46 h LYS 303 Ca 0.08 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1u46 h LYS 303 Cb 0.50 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1u46 h LYS 303 CO 0.02 0.74 -0.07 0.25 -0.57 0.00 0.00 179.45 179.83 1u46 n THR 304 N -4.59 0.46 -3.04 -0.16 -2.24 0.19 -5.01 114.28 99.89 1u46 n THR 304 Ca -0.07 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.00 1u46 n THR 304 Cb 0.38 0.68 0.01 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.27 -3.69 -3.25 -0.78 1.74 -0.33 -4.94 116.66 105.15 1u46 n ARG 305 Ca 0.01 0.69 -0.38 0.00 -0.77 0.00 0.00 57.85 57.40 1u46 n ARG 305 Cb 0.46 -5.44 -0.06 0.00 -1.02 0.00 0.00 32.46 26.41 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 -2.98 5.14 0.14 0.55 2.01 -1.20 -2.78 115.64 116.52 1u46 s THR 306 Ca 0.28 1.05 0.10 0.00 0.31 0.00 0.00 61.69 63.43 1u46 s THR 306 Cb -0.14 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1u46 s THR 306 CO 0.34 0.28 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.96 1u46 s PHE 307 N 0.88 2.07 0.31 4.92 0.40 -0.68 -2.94 117.98 122.95 1u46 s PHE 307 Ca 0.28 -0.40 -0.19 0.00 -0.60 0.00 0.00 56.93 56.01 1u46 s PHE 307 Cb -0.16 -1.09 0.04 0.00 0.51 0.00 0.00 43.02 42.32 1u46 s PHE 307 CO 0.11 0.33 0.78 -1.54 0.70 0.00 0.00 175.22 175.60 1u46 s SER 308 N -2.24 -0.15 0.28 1.36 1.04 -1.26 -1.30 113.70 111.43 1u46 s SER 308 Ca 0.13 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 55.79 1u46 s SER 308 Cb -0.09 0.75 0.57 0.00 0.10 0.00 0.00 66.02 67.35 1u46 s SER 308 CO 0.06 -1.43 1.83 0.45 0.98 0.00 0.00 173.24 175.13 1u46 h HIS 309 N 2.00 1.13 -0.17 5.02 3.86 -1.92 -1.95 115.15 123.11 1u46 h HIS 309 Ca -0.24 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 58.90 1u46 h HIS 309 Cb 1.25 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 1u46 h HIS 309 CO 0.80 0.42 -0.32 0.00 0.86 0.00 0.00 177.93 179.69 1u46 h ALA 310 N 1.55 1.15 -0.28 2.45 0.00 -1.93 -0.74 119.26 121.46 1u46 h ALA 310 Ca 0.50 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1u46 h ALA 310 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1u46 h ALA 310 CO -0.28 0.55 -0.21 0.66 0.00 0.00 0.00 179.25 179.97 1u46 h SER 311 N 0.29 0.51 -0.65 0.00 4.64 -1.86 -2.55 113.55 113.93 1u46 h SER 311 Ca 0.04 -0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 1u46 h SER 311 Cb 0.71 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 1u46 h SER 311 CO 0.05 0.73 0.28 0.44 -0.87 0.00 0.00 176.83 177.46 1u46 h ASP 312 N 0.46 0.90 -0.72 4.97 5.19 -0.85 -2.20 116.42 124.18 1u46 h ASP 312 Ca 0.07 -0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.33 1u46 h ASP 312 Cb 0.62 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.87 1u46 h ASP 312 CO 0.04 0.80 0.32 0.74 -3.12 0.00 0.00 179.24 178.03 1u46 h THR 313 N 0.97 1.24 -0.61 0.35 2.02 -0.99 -0.52 112.91 115.37 1u46 h THR 313 Ca 0.23 -0.71 0.07 0.00 0.77 0.00 0.00 66.41 66.77 1u46 h THR 313 Cb 0.17 0.38 -0.06 0.00 -1.74 0.00 0.00 68.15 66.90 1u46 h THR 313 CO -0.02 0.29 0.30 -0.25 0.37 0.00 0.00 175.52 176.21 1u46 h TRP 314 N 1.01 0.55 -0.21 3.16 2.91 -1.17 -1.62 115.95 120.58 1u46 h TRP 314 Ca 0.24 0.02 -0.12 0.00 1.13 0.00 0.00 58.89 60.17 1u46 h TRP 314 Cb 0.15 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1u46 h TRP 314 CO 0.01 0.24 -0.38 0.52 -1.03 0.00 0.00 178.44 177.80 1u46 h MET 315 N 0.56 0.46 -0.97 2.65 2.86 -1.08 -2.34 114.93 117.07 1u46 h MET 315 Ca 0.28 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1u46 h MET 315 Cb 0.23 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.84 1u46 h MET 315 CO -0.21 0.77 0.64 0.35 1.06 0.00 0.00 176.91 179.52 1u46 h PHE 316 N 0.39 1.22 -0.23 -0.22 3.57 -0.54 -0.65 116.94 120.48 1u46 h PHE 316 Ca 0.04 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1u46 h PHE 316 Cb 0.84 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1u46 h PHE 316 CO 0.03 0.76 0.09 0.78 -2.23 0.00 0.00 178.31 177.74 1u46 h GLY 317 N 1.31 0.28 1.04 2.40 0.00 -0.79 0.42 103.07 107.74 1u46 h GLY 317 Ca 0.36 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.58 1u46 h GLY 317 CO -0.08 0.04 0.29 -2.08 0.00 0.00 0.00 176.54 174.71 1u46 h VAL 318 N 0.20 1.26 -0.71 4.60 2.07 -1.13 -2.00 116.25 120.54 1u46 h VAL 318 Ca 0.10 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1u46 h VAL 318 Cb 0.05 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1u46 h VAL 318 CO -0.09 0.34 0.45 0.74 0.02 0.00 0.00 177.57 179.03 1u46 h THR 319 N 1.11 1.20 -0.80 2.57 2.02 -0.76 -1.34 112.91 116.90 1u46 h THR 319 Ca 0.25 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 67.04 1u46 h THR 319 Cb 0.24 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 1u46 h THR 319 CO -0.02 0.20 0.53 -0.07 0.37 0.00 0.00 175.52 176.53 1u46 h LEU 320 N 0.97 0.91 -0.84 2.58 3.38 -0.67 -0.45 115.31 121.19 1u46 h LEU 320 Ca 0.26 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1u46 h LEU 320 Cb -0.07 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1u46 h LEU 320 CO -0.05 0.66 0.39 -0.25 0.09 0.00 0.00 178.44 179.28 1u46 h TRP 321 N 1.08 1.22 -0.53 1.13 7.01 -1.06 0.05 115.95 124.85 1u46 h TRP 321 Ca 0.29 -0.07 0.01 0.00 2.11 0.00 0.00 58.89 61.23 1u46 h TRP 321 Cb -0.12 -0.37 -0.03 0.00 -2.10 0.00 0.00 29.16 26.54 1u46 h TRP 321 CO -0.02 0.89 0.35 0.93 -2.79 0.00 0.00 178.44 177.80 1u46 h GLU 322 N 1.20 0.69 -0.52 2.65 5.08 -0.90 -1.86 114.58 120.92 1u46 h GLU 322 Ca 0.29 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1u46 h GLU 322 Cb 0.14 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1u46 h GLU 322 CO -0.03 0.45 0.28 0.52 -1.00 0.00 0.00 179.01 179.23 1u46 h MET 323 N 0.71 0.72 -0.00 2.33 2.86 -0.14 0.22 114.93 121.63 1u46 h MET 323 Ca 0.20 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1u46 h MET 323 Cb -0.07 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.45 1u46 h MET 323 CO -0.05 0.57 -0.11 1.19 1.06 0.00 0.00 176.91 179.57 1u46 n PHE 324 N -4.64 0.00 0.54 -0.22 3.01 -0.08 -2.00 117.46 114.08 1u46 n PHE 324 Ca 0.02 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.58 1u46 n PHE 324 Cb 0.09 -0.14 0.11 0.00 -0.01 0.00 0.00 39.48 39.53 1u46 n PHE 324 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1u46 n THR 325 N -0.81 0.21 -2.56 4.37 -2.24 -0.72 -4.77 114.28 107.76 1u46 n THR 325 Ca 0.15 -0.60 -0.16 0.00 -2.27 0.00 0.00 64.05 61.17 1u46 n THR 325 Cb 0.28 1.20 0.01 0.00 -2.10 0.00 0.00 70.33 69.72 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 1.06 -1.11 -0.10 4.78 4.01 -0.85 -3.69 117.16 121.26 1u46 n TYR 326 Ca 0.12 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 58.06 1u46 n TYR 326 Cb 0.48 -3.44 0.00 0.00 -0.31 0.00 0.00 39.34 36.07 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 -1.17 1.51 3.74 2.72 0.00 0.74 -3.31 105.19 109.42 1u46 n GLY 327 Ca -0.14 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1u46 n GLY 327 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u46 s GLN 328 N -0.76 2.61 -0.27 1.61 -0.21 -1.24 -4.95 119.66 116.44 1u46 s GLN 328 Ca 0.00 1.98 -0.21 0.00 0.02 0.00 0.00 55.36 57.15 1u46 s GLN 328 Cb 0.00 -1.86 -0.01 0.00 1.00 0.00 0.00 33.01 32.13 1u46 s GLN 328 CO 0.00 -1.53 0.66 -2.00 -2.12 0.00 0.00 175.29 170.30 1u46 s GLU 329 N -3.41 4.04 0.23 2.91 2.12 -1.26 -4.72 118.70 118.61 1u46 s GLU 329 Ca 0.81 0.52 -0.30 0.00 0.36 0.00 0.00 54.97 56.36 1u46 s GLU 329 Cb -0.35 -3.68 -0.09 0.00 0.26 0.00 0.00 34.13 30.27 1u46 s GLU 329 CO 0.39 -0.49 1.23 -1.25 -0.54 0.00 0.00 175.26 174.59 1u46 s PRO 330 N 2.61 4.46 -1.50 4.30 0.04 -1.26 -2.82 135.00 140.83 1u46 s PRO 330 Ca 0.27 1.97 -0.06 0.00 0.04 0.00 0.00 61.00 63.23 1u46 s PRO 330 Cb -0.15 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 31.21 1u46 s PRO 330 CO 0.10 -0.10 0.57 0.91 0.04 0.00 0.00 177.00 178.52 1u46 n TRP 331 N 2.08 -1.92 -1.58 0.56 7.02 -1.26 -4.85 117.44 117.49 1u46 n TRP 331 Ca 0.03 0.50 -0.53 0.00 -1.02 0.00 0.00 57.50 56.49 1u46 n TRP 331 Cb 0.44 -4.17 -0.06 0.00 -2.42 0.00 0.00 31.31 25.10 1u46 n TRP 331 CO 0.00 0.00 0.00 1.51 -2.02 0.00 0.00 177.69 177.18 1u46 n ILE 332 N -4.38 0.00 -0.96 -0.99 3.06 -1.13 -1.58 119.36 113.39 1u46 n ILE 332 Ca -0.10 -0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.15 1u46 n ILE 332 Cb 0.61 -0.72 0.00 0.00 0.54 0.00 0.00 39.64 40.06 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 2.41 0.80 3.88 4.50 0.00 -1.26 -5.02 105.19 110.50 1u46 n GLY 333 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 4.37 0.71 0.99 1.43 -0.61 -5.10 118.68 120.47 1u46 s LEU 334 Ca 0.00 0.64 -0.05 0.00 -1.03 0.00 0.00 54.13 53.69 1u46 s LEU 334 Cb 0.00 -2.73 0.08 0.00 0.03 0.00 0.00 46.19 43.57 1u46 s LEU 334 CO 0.00 0.24 1.00 0.54 0.23 0.00 0.00 176.35 178.36 1u46 s ASN 335 N -1.66 4.62 0.23 2.29 2.20 -1.26 -4.88 114.94 116.48 1u46 s ASN 335 Ca 0.28 0.17 -0.08 0.00 -0.94 0.00 0.00 52.86 52.29 1u46 s ASN 335 Cb -0.14 -0.75 0.38 0.00 -2.00 0.00 0.00 41.25 38.75 1u46 s ASN 335 CO 0.16 -1.69 1.65 1.23 -2.94 0.00 0.00 177.10 175.50 1u46 h GLY 336 N -0.57 0.77 1.15 0.45 0.00 -1.98 -1.59 103.07 101.29 1u46 h GLY 336 Ca -0.42 0.10 -0.15 0.00 0.00 0.00 0.00 47.33 46.86 1u46 h GLY 336 CO 0.52 -0.25 -0.32 1.76 0.00 0.00 0.00 176.54 178.25 1u46 h SER 337 N 0.11 0.99 -0.90 0.19 0.02 -1.99 -2.39 113.55 109.59 1u46 h SER 337 Ca 0.38 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1u46 h SER 337 Cb 0.64 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 1u46 h SER 337 CO -0.62 1.21 0.51 1.56 -1.14 0.00 0.00 176.83 178.36 1u46 h GLN 338 N 0.79 1.23 -0.28 3.45 4.20 -1.89 -0.90 115.11 121.71 1u46 h GLN 338 Ca 0.08 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1u46 h GLN 338 Cb 0.90 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1u46 h GLN 338 CO 0.08 0.88 0.02 0.82 -0.67 0.00 0.00 178.83 179.96 1u46 h ILE 339 N 1.24 1.25 -0.26 2.54 2.04 -1.23 -1.64 117.51 121.46 1u46 h ILE 339 Ca 0.32 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1u46 h ILE 339 Cb -0.01 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1u46 h ILE 339 CO -0.06 0.28 0.15 0.25 0.00 0.00 0.00 178.15 178.78 1u46 h LEU 340 N 0.27 0.31 -0.53 1.44 5.85 -1.31 0.57 115.31 121.92 1u46 h LEU 340 Ca 0.08 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1u46 h LEU 340 Cb 0.39 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1u46 h LEU 340 CO 0.01 0.29 0.30 -0.74 -0.34 0.00 0.00 178.44 177.95 1u46 h HIS 341 N 0.32 0.55 0.06 1.25 2.76 -1.10 0.07 115.15 119.07 1u46 h HIS 341 Ca 0.09 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1u46 h HIS 341 Cb 0.03 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 28.82 1u46 h HIS 341 CO -0.04 0.30 -0.03 0.87 -1.30 0.00 0.00 177.93 177.73 1u46 h LYS 342 N 0.58 -0.08 0.01 5.26 1.57 -0.55 -0.65 116.57 122.71 1u46 h LYS 342 Ca 0.22 0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.78 1u46 h LYS 342 Cb 0.07 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1u46 h LYS 342 CO -0.12 -0.00 -1.12 -0.84 -0.57 0.00 0.00 179.45 176.79 1u46 h ILE 343 N -0.14 1.57 0.00 1.86 3.07 -0.77 0.13 117.51 123.23 1u46 h ILE 343 Ca -0.01 -3.30 -0.19 0.00 1.55 0.00 0.00 64.86 62.91 1u46 h ILE 343 Cb 0.12 2.79 -0.03 0.00 -0.27 0.00 0.00 36.82 39.43 1u46 h ILE 343 CO 0.01 0.90 -1.24 -0.67 -1.05 0.00 0.00 178.15 176.10 1u46 n ASP 344 N -3.31 1.87 0.07 2.16 2.03 0.00 -3.84 116.55 115.52 1u46 n ASP 344 Ca -0.03 0.46 -0.23 0.00 0.52 0.00 0.00 54.79 55.51 1u46 n ASP 344 Cb 0.96 -0.90 -0.15 0.00 -0.72 0.00 0.00 41.12 40.31 1u46 n ASP 344 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1u46 h LYS 345 N -1.00 0.38 -0.01 -0.67 1.79 -1.27 -3.36 116.57 112.42 1u46 h LYS 345 Ca -0.28 -0.65 0.00 0.00 -2.18 0.00 0.00 60.65 57.54 1u46 h LYS 345 Cb 1.11 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 1u46 h LYS 345 CO -0.17 1.31 -0.23 0.39 -1.08 0.00 0.00 179.45 179.67 1u46 n GLU 346 N -3.66 1.18 -1.50 3.15 1.02 -0.60 -4.94 120.64 115.29 1u46 n GLU 346 Ca -0.25 -0.79 -0.17 0.00 -0.02 0.00 0.00 57.16 55.94 1u46 n GLU 346 Cb 1.05 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.91 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 1.32 1.64 3.79 0.62 0.00 -0.98 -4.95 105.19 106.63 1u46 n GLY 347 Ca 0.13 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.43 3.96 0.21 1.61 2.12 0.41 -4.94 118.70 118.64 1u46 s GLU 348 Ca 0.00 1.43 0.05 0.00 0.36 0.00 0.00 54.97 56.81 1u46 s GLU 348 Cb 0.00 -2.29 -0.05 0.00 0.26 0.00 0.00 34.13 32.05 1u46 s GLU 348 CO 0.00 -0.31 -0.07 1.03 -0.54 0.00 0.00 175.26 175.38 1u46 s ARG 349 N -2.91 1.27 0.37 4.30 1.81 -1.26 -4.27 118.95 118.26 1u46 s ARG 349 Ca 0.63 -1.60 -0.27 0.00 -1.72 0.00 0.00 55.73 52.77 1u46 s ARG 349 Cb -0.19 -0.77 -0.09 0.00 -0.45 0.00 0.00 34.95 33.45 1u46 s ARG 349 CO 0.23 0.02 1.24 -0.51 -0.68 0.00 0.00 175.30 175.61 1u46 s LEU 350 N -3.28 4.29 0.63 2.53 1.43 -1.26 -4.97 118.68 118.05 1u46 s LEU 350 Ca 0.24 2.53 -0.13 0.00 -1.03 0.00 0.00 54.13 55.74 1u46 s LEU 350 Cb 0.03 -3.85 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 1u46 s LEU 350 CO 0.06 -0.66 1.04 -2.16 0.23 0.00 0.00 176.35 174.87 1u46 s PRO 351 N -2.08 3.29 -0.03 1.29 0.04 -1.26 -4.97 135.00 131.29 1u46 s PRO 351 Ca 0.54 0.97 -0.32 0.00 0.04 0.00 0.00 61.00 62.22 1u46 s PRO 351 Cb -0.36 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.04 1u46 s PRO 351 CO 0.46 -0.82 1.93 -2.13 0.04 0.00 0.00 177.00 176.48 1u46 n ARG 352 N -2.60 2.53 -1.73 4.56 0.63 -1.26 -4.94 116.66 113.84 1u46 n ARG 352 Ca 0.07 0.93 -0.39 0.00 -0.92 0.00 0.00 57.85 57.54 1u46 n ARG 352 Cb 0.54 -2.83 0.04 0.00 0.45 0.00 0.00 32.46 30.65 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 7.09 1.78 -1.69 -0.14 -0.02 -1.26 -4.89 135.00 135.87 1u46 n PRO 353 Ca 0.21 0.65 -0.44 0.00 -2.02 0.00 0.00 63.50 61.91 1u46 n PRO 353 Cb 0.35 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.28 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 -0.72 2.16 -0.73 -0.52 1.02 -1.26 -1.20 120.64 119.38 1u46 n GLU 354 Ca 0.09 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 1u46 n GLU 354 Cb 0.43 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 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 1.66 -1.92 -4.68 1.62 8.00 -1.26 -4.95 116.55 115.03 1u46 n ASP 355 Ca 0.09 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.16 1u46 n ASP 355 Cb 0.34 -2.38 -0.03 0.00 -0.02 0.00 0.00 41.12 39.03 1u46 n ASP 355 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u46 n PRO 357 N 5.94 1.15 -0.33 0.00 -0.02 -1.26 -4.80 135.00 135.67 1u46 n PRO 357 Ca 0.15 0.43 -0.01 0.00 -2.02 0.00 0.00 63.50 62.06 1u46 n PRO 357 Cb 0.42 -2.26 0.12 0.00 -0.02 0.00 0.00 33.50 31.76 1u46 n PRO 357 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1u46 h GLN 358 N 0.84 1.10 -0.16 -0.52 5.75 -1.99 -2.07 115.11 118.06 1u46 h GLN 358 Ca -0.49 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 57.87 1u46 h GLN 358 Cb 1.35 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 1u46 h GLN 358 CO 0.53 0.73 -0.23 0.38 -2.65 0.00 0.00 178.83 177.59 1u46 h ASP 359 N 1.13 0.27 -0.21 -0.69 3.04 -1.97 0.21 116.42 118.21 1u46 h ASP 359 Ca 0.36 -0.08 -0.21 0.00 -3.24 0.00 0.00 57.03 53.87 1u46 h ASP 359 Cb 0.01 -0.07 0.01 0.00 -1.04 0.00 0.00 39.33 38.24 1u46 h ASP 359 CO -0.12 0.51 -0.68 0.40 -2.04 0.00 0.00 179.24 177.31 1u46 h ILE 360 N 0.25 1.28 -0.93 4.15 2.04 -1.86 -2.76 117.51 119.68 1u46 h ILE 360 Ca 0.04 -1.87 0.01 0.00 1.00 0.00 0.00 64.86 64.04 1u46 h ILE 360 Cb 0.55 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 1u46 h ILE 360 CO 0.04 0.60 0.62 0.22 0.00 0.00 0.00 178.15 179.63 1u46 h TYR 361 N 0.58 1.18 -0.96 1.37 3.20 -1.01 -2.17 116.97 119.16 1u46 h TYR 361 Ca -0.03 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.93 1u46 h TYR 361 Cb 1.31 -0.40 -0.06 0.00 1.54 0.00 0.00 36.73 39.12 1u46 h TYR 361 CO 0.08 0.74 0.62 -0.91 -1.64 0.00 0.00 178.16 177.05 1u46 h ASN 362 N 1.27 1.00 -0.01 -2.11 2.35 -0.89 -0.97 115.58 116.22 1u46 h ASN 362 Ca 0.34 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1u46 h ASN 362 Cb -0.14 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.02 1u46 h ASN 362 CO -0.07 0.65 0.00 0.58 -1.65 0.00 0.00 177.43 176.94 1u46 h VAL 363 N 1.14 1.08 -0.51 2.81 2.07 -1.14 -0.84 116.25 120.86 1u46 h VAL 363 Ca 0.41 -0.24 0.10 0.00 0.82 0.00 0.00 66.70 67.79 1u46 h VAL 363 Cb 0.13 1.23 -0.10 0.00 -1.52 0.00 0.00 31.29 31.03 1u46 h VAL 363 CO -0.16 0.06 -0.18 0.24 0.02 0.00 0.00 177.57 177.56 1u46 h MET 364 N -0.09 -0.06 -0.66 1.57 2.86 -0.65 -2.35 114.93 115.55 1u46 h MET 364 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1u46 h MET 364 Cb 0.10 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1u46 h MET 364 CO -0.00 -0.04 0.32 0.28 1.06 0.00 0.00 176.91 178.54 1u46 h VAL 365 N -0.06 1.21 -0.09 -2.22 2.07 -0.99 -1.72 116.25 114.45 1u46 h VAL 365 Ca 0.24 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1u46 h VAL 365 Cb 0.43 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1u46 h VAL 365 CO -0.55 0.25 -0.20 1.56 0.02 0.00 0.00 177.57 178.64 1u46 h GLN 366 N 0.93 0.14 0.00 1.57 4.20 -0.69 -2.13 115.11 119.14 1u46 h GLN 366 Ca 0.23 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 1u46 h GLN 366 Cb 0.09 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1u46 h GLN 366 CO -0.03 0.35 -0.23 0.00 -0.67 0.00 0.00 178.83 178.25 1u46 n TRP 368 N -3.65 2.53 -1.70 0.00 8.01 -0.80 -3.69 117.44 118.14 1u46 n TRP 368 Ca -0.01 -1.58 -0.44 0.00 -1.31 0.00 0.00 57.50 54.16 1u46 n TRP 368 Cb 0.35 -0.78 -0.03 0.00 -2.01 0.00 0.00 31.31 28.84 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 -0.82 1.92 -0.10 6.99 0.00 -1.14 -4.92 120.51 122.45 1u46 n ALA 369 Ca 0.49 0.40 -0.06 0.00 0.00 0.00 0.00 53.44 54.28 1u46 n ALA 369 Cb 1.47 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 5.18 -0.18 -3.13 0.00 2.76 -1.93 -3.40 115.15 114.45 1u46 h HIS 370 Ca -0.45 0.03 -0.57 0.00 -2.20 0.00 0.00 60.37 57.18 1u46 h HIS 370 Cb 1.24 0.13 -0.04 0.00 1.55 0.00 0.00 27.41 30.29 1u46 h HIS 370 CO 0.59 -0.15 0.71 0.15 -1.30 0.00 0.00 177.93 177.94 1u46 s LYS 371 N -6.21 4.33 0.32 5.26 1.02 -1.26 -4.93 119.74 118.26 1u46 s LYS 371 Ca -0.14 1.45 0.10 0.00 0.02 0.00 0.00 55.97 57.40 1u46 s LYS 371 Cb 0.13 -3.61 0.89 0.00 -0.52 0.00 0.00 37.83 34.73 1u46 s LYS 371 CO 0.70 -0.50 1.73 -1.35 -0.92 0.00 0.00 175.35 175.01 1u46 h PRO 372 N 7.41 0.56 0.00 -1.68 0.11 -1.95 -1.50 132.00 134.96 1u46 h PRO 372 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1u46 h PRO 372 Cb 1.11 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1u46 h PRO 372 CO 0.92 0.37 0.00 -0.85 -0.21 0.00 0.00 178.00 178.23 1u46 n GLU 373 N -4.87 0.06 0.00 1.05 -0.00 -1.26 -2.16 120.64 113.46 1u46 n GLU 373 Ca 0.27 0.03 0.15 0.00 -0.00 0.00 0.00 57.16 57.61 1u46 n GLU 373 Cb 0.75 -1.50 0.75 0.00 -0.00 0.00 0.00 31.44 31.44 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 -1.47 0.00 -4.79 -1.84 10.43 -0.57 -4.85 116.55 113.46 1u46 n ASP 374 Ca 0.07 -0.15 -0.37 0.00 2.57 0.00 0.00 54.79 56.91 1u46 n ASP 374 Cb 0.30 -0.28 -0.06 0.00 1.84 0.00 0.00 41.12 42.92 1u46 n ASP 374 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1u46 s ARG 375 N -2.56 4.47 0.53 -1.24 3.00 -0.92 -4.87 118.95 117.36 1u46 s ARG 375 Ca 0.28 1.12 -0.19 0.00 0.00 0.00 0.00 55.73 56.94 1u46 s ARG 375 Cb 0.20 -2.97 -0.06 0.00 0.00 0.00 0.00 34.95 32.12 1u46 s ARG 375 CO 0.45 0.41 1.10 -1.25 0.00 0.00 0.00 175.30 176.01 1u46 s PRO 376 N -1.76 3.48 0.92 3.54 0.04 -1.26 -5.04 135.00 134.92 1u46 s PRO 376 Ca 0.43 1.52 -0.12 0.00 0.04 0.00 0.00 61.00 62.87 1u46 s PRO 376 Cb -0.19 -2.03 0.14 0.00 0.04 0.00 0.00 34.50 32.46 1u46 s PRO 376 CO 0.24 -0.73 1.09 0.95 0.04 0.00 0.00 177.00 178.59 1u46 s THR 377 N -1.87 2.48 0.34 1.26 -4.23 -1.26 -4.83 115.64 107.53 1u46 s THR 377 Ca 0.71 0.16 0.15 0.00 -1.18 0.00 0.00 61.69 61.52 1u46 s THR 377 Cb -0.21 -2.67 0.11 0.00 1.34 0.00 0.00 72.50 71.06 1u46 s THR 377 CO 0.25 -0.20 1.82 -0.26 -0.54 0.00 0.00 174.62 175.68 1u46 h PHE 378 N -1.62 0.00 -0.37 3.99 -1.00 -1.92 0.11 116.94 116.13 1u46 h PHE 378 Ca -0.51 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.16 1u46 h PHE 378 Cb 1.30 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.85 1u46 h PHE 378 CO 0.38 0.37 -0.19 0.28 -1.61 0.00 0.00 178.31 177.55 1u46 h VAL 379 N 0.00 1.28 -0.51 -0.55 2.07 -1.93 -0.84 116.25 115.77 1u46 h VAL 379 Ca -0.00 -1.32 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 1u46 h VAL 379 Cb 0.71 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1u46 h VAL 379 CO 0.05 0.44 0.09 0.00 0.02 0.00 0.00 177.57 178.17 1u46 h ALA 380 N 0.80 0.68 -0.60 1.67 0.00 -1.84 -2.36 119.26 117.61 1u46 h ALA 380 Ca 0.08 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1u46 h ALA 380 Cb 0.74 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1u46 h ALA 380 CO 0.06 0.40 0.33 -0.07 0.00 0.00 0.00 179.25 179.97 1u46 h LEU 381 N 0.72 0.50 -0.73 0.00 3.38 -0.87 0.14 115.31 118.46 1u46 h LEU 381 Ca 0.16 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.21 1u46 h LEU 381 Cb 0.38 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1u46 h LEU 381 CO 0.01 0.33 0.42 -0.09 0.09 0.00 0.00 178.44 179.20 1u46 h ARG 382 N 0.63 0.74 -0.15 1.13 2.43 -0.89 -0.98 114.38 117.29 1u46 h ARG 382 Ca 0.26 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.25 1u46 h ARG 382 Cb 0.14 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1u46 h ARG 382 CO -0.16 0.49 -0.45 -0.44 -1.51 0.00 0.00 179.97 177.91 1u46 h ASP 383 N 0.77 0.66 -0.93 -3.80 3.32 -0.78 -1.49 116.42 114.16 1u46 h ASP 383 Ca 0.33 -0.59 0.12 0.00 0.02 0.00 0.00 57.03 56.90 1u46 h ASP 383 Cb 0.20 -0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.48 1u46 h ASP 383 CO -0.19 1.13 0.56 -0.26 -1.72 0.00 0.00 179.24 178.77 1u46 h PHE 384 N 0.22 1.01 -0.26 4.55 0.05 -0.58 -0.74 116.94 121.19 1u46 h PHE 384 Ca -0.01 0.03 -0.19 0.00 3.82 0.00 0.00 57.97 61.62 1u46 h PHE 384 Cb 1.07 -0.31 0.00 0.00 2.00 0.00 0.00 35.95 38.70 1u46 h PHE 384 CO 0.10 0.39 -0.57 -0.07 -0.18 0.00 0.00 178.31 177.98 1u46 h LEU 385 N 0.89 0.95 -1.02 1.54 3.38 -0.96 -2.08 115.31 118.02 1u46 h LEU 385 Ca 0.46 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1u46 h LEU 385 Cb 0.47 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1u46 h LEU 385 CO -0.27 1.33 0.36 -0.07 0.09 0.00 0.00 178.44 179.88 1u46 h LEU 386 N 0.62 0.96 -1.45 1.67 3.38 -1.00 -2.46 115.31 117.04 1u46 h LEU 386 Ca 0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1u46 h LEU 386 Cb 1.18 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1u46 h LEU 386 CO 0.12 0.80 -0.11 -0.33 0.09 0.00 0.00 178.44 179.02 1u46 h GLU 387 N 1.05 0.00 0.08 1.13 5.08 -0.94 -2.56 114.58 118.42 1u46 h GLU 387 Ca 0.26 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.36 1u46 h GLU 387 Cb 0.10 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1u46 h GLU 387 CO -0.03 0.11 -1.12 0.00 -1.00 0.00 0.00 179.01 176.96 1u46 h ALA 388 N 1.89 0.20 0.00 3.43 0.00 -0.92 -3.51 119.26 120.35 1u46 h ALA 388 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1u46 h ALA 388 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1u46 h ALA 388 CO 0.01 0.89 0.00 1.04 0.00 0.00 0.00 179.25 181.19