#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rkg s LEU 124 N 0.00 4.33 0.92 -0.35 1.43 -1.26 -5.02 118.68 118.73 1rkg s LEU 124 Ca 0.00 2.17 -0.11 0.00 -1.03 0.00 0.00 54.13 55.16 1rkg s LEU 124 Cb 0.00 -3.57 0.14 0.00 0.03 0.00 0.00 46.19 42.80 1rkg s LEU 124 CO 0.00 -0.70 1.09 -0.94 0.23 0.00 0.00 176.35 176.03 1rkg s SER 125 N 1.72 3.22 0.37 2.29 1.04 -1.26 -4.81 113.70 116.26 1rkg s SER 125 Ca 0.64 1.58 0.04 0.00 0.48 0.00 0.00 55.95 58.70 1rkg s SER 125 Cb -0.33 -2.25 0.71 0.00 0.10 0.00 0.00 66.02 64.25 1rkg s SER 125 CO 0.28 -2.81 2.01 -0.08 0.98 0.00 0.00 173.24 173.61 1rkg h GLU 126 N -1.67 0.75 -0.39 4.02 4.57 -1.99 -1.36 114.58 118.51 1rkg h GLU 126 Ca -0.50 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 57.59 1rkg h GLU 126 Cb 1.28 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 1rkg h GLU 126 CO 0.53 0.50 0.06 1.49 -1.18 0.00 0.00 179.01 180.40 1rkg h GLU 127 N 0.77 0.66 -0.29 1.92 4.81 -1.99 -1.10 114.58 119.37 1rkg h GLU 127 Ca 0.23 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1rkg h GLU 127 Cb -0.01 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1rkg h GLU 127 CO -0.06 0.71 -0.13 1.96 -0.73 0.00 0.00 179.01 180.76 1rkg h GLN 128 N 0.50 0.49 -0.52 1.92 4.20 -1.81 0.17 115.11 120.07 1rkg h GLN 128 Ca 0.12 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 1rkg h GLN 128 Cb 0.38 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1rkg h GLN 128 CO 0.01 0.62 -0.07 1.96 -0.67 0.00 0.00 178.83 180.68 1rkg h GLN 129 N 0.45 0.92 -0.10 1.46 4.20 -1.07 -2.37 115.11 118.61 1rkg h GLN 129 Ca 0.08 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 1rkg h GLN 129 Cb 0.50 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1rkg h GLN 129 CO 0.03 0.96 0.05 1.25 -0.67 0.00 0.00 178.83 180.45 1rkg h HIS 130 N 0.84 0.15 -0.67 2.96 2.76 -0.51 -1.92 115.15 118.76 1rkg h HIS 130 Ca 0.14 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.40 1rkg h HIS 130 Cb 0.59 -0.05 -0.07 0.00 1.55 0.00 0.00 27.41 29.43 1rkg h HIS 130 CO 0.04 0.20 0.30 0.82 -1.30 0.00 0.00 177.93 177.98 1rkg h ILE 131 N 0.06 0.81 -0.39 6.26 2.04 -0.81 -1.25 117.51 124.22 1rkg h ILE 131 Ca 0.04 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 1rkg h ILE 131 Cb 0.10 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1rkg h ILE 131 CO -0.01 0.09 -0.05 0.40 0.00 0.00 0.00 178.15 178.59 1rkg h ILE 132 N 0.52 1.27 -0.65 -0.67 2.04 -1.34 -1.22 117.51 117.46 1rkg h ILE 132 Ca 0.33 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 65.11 1rkg h ILE 132 Cb 0.38 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1rkg h ILE 132 CO -0.29 0.37 0.42 0.00 0.00 0.00 0.00 178.15 178.66 1rkg h ALA 133 N 0.86 0.82 -0.56 1.87 0.00 -0.86 0.61 119.26 122.01 1rkg h ALA 133 Ca 0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1rkg h ALA 133 Cb 0.55 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1rkg h ALA 133 CO 0.03 0.23 -0.09 0.82 0.00 0.00 0.00 179.25 180.24 1rkg h ILE 134 N 0.86 1.27 -0.07 0.00 2.04 -1.04 -1.91 117.51 118.65 1rkg h ILE 134 Ca 0.24 -1.25 -0.22 0.00 1.00 0.00 0.00 64.86 64.63 1rkg h ILE 134 Cb -0.08 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1rkg h ILE 134 CO -0.06 0.45 -0.84 -0.07 0.00 0.00 0.00 178.15 177.63 1rkg h LEU 135 N 0.93 0.69 0.05 1.44 3.38 -0.85 0.13 115.31 121.08 1rkg h LEU 135 Ca 0.15 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1rkg h LEU 135 Cb 0.66 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1rkg h LEU 135 CO 0.05 1.27 -0.03 -0.07 0.09 0.00 0.00 178.44 179.74 1rkg h LEU 136 N 0.36 -0.08 -0.83 1.67 3.38 -0.84 -1.11 115.31 117.86 1rkg h LEU 136 Ca -0.06 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1rkg h LEU 136 Cb 1.45 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.19 1rkg h LEU 136 CO 0.16 -0.06 0.52 -0.78 0.09 0.00 0.00 178.44 178.37 1rkg h ASP 137 N -0.09 0.98 -0.78 -0.43 1.82 -1.25 -0.68 116.42 116.00 1rkg h ASP 137 Ca -0.00 -0.05 0.01 0.00 -0.39 0.00 0.00 57.03 56.60 1rkg h ASP 137 Cb 0.07 -0.25 -0.04 0.00 0.68 0.00 0.00 39.33 39.80 1rkg h ASP 137 CO 0.00 0.74 0.52 0.00 -1.61 0.00 0.00 179.24 178.89 1rkg h ALA 138 N 1.28 1.00 -0.29 -0.78 0.00 -0.46 -1.40 119.26 118.61 1rkg h ALA 138 Ca 0.30 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1rkg h ALA 138 Cb -0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1rkg h ALA 138 CO -0.06 0.39 -0.18 1.25 0.00 0.00 0.00 179.25 180.66 1rkg h HIS 139 N 1.05 0.74 -0.58 0.00 -0.00 -0.87 -2.64 115.15 112.84 1rkg h HIS 139 Ca 0.29 -0.19 0.04 0.00 -0.00 0.00 0.00 60.37 60.51 1rkg h HIS 139 Cb -0.10 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.11 1rkg h HIS 139 CO -0.02 0.89 0.38 0.45 -0.00 0.00 0.00 177.93 179.63 1rkg h HIS 140 N 0.38 0.61 -0.00 5.26 3.86 -0.65 0.12 115.15 124.72 1rkg h HIS 140 Ca 0.06 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1rkg h HIS 140 Cb 0.71 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1rkg h HIS 140 CO 0.06 0.34 -0.11 1.63 0.86 0.00 0.00 177.93 180.72 1rkg n LYS 141 N -4.47 0.02 0.00 2.45 5.02 -0.57 -3.72 118.16 116.88 1rkg n LYS 141 Ca 0.07 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1rkg n LYS 141 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1rkg n LYS 141 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1rkg n THR 142 N -1.49 0.35 -3.68 -0.18 -2.24 -0.66 -4.95 114.28 101.43 1rkg n THR 142 Ca 0.07 -0.58 -0.28 0.00 -2.27 0.00 0.00 64.05 60.99 1rkg n THR 142 Cb 0.34 0.93 -0.16 0.00 -2.10 0.00 0.00 70.33 69.34 1rkg n THR 142 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1rkg s TYR 143 N -0.35 0.87 -0.44 4.78 6.14 0.32 -4.85 117.35 123.82 1rkg s TYR 143 Ca 0.00 -0.89 -0.19 0.00 0.64 0.00 0.00 57.07 56.63 1rkg s TYR 143 Cb 0.00 -1.05 0.03 0.00 0.42 0.00 0.00 41.96 41.36 1rkg s TYR 143 CO 0.00 -0.66 0.55 0.34 0.64 0.00 0.00 175.55 176.42 1rkg s ASP 144 N 1.91 6.26 0.00 4.32 2.15 -1.26 -4.73 116.67 125.31 1rkg s ASP 144 Ca 0.03 -0.54 0.21 0.00 0.43 0.00 0.00 52.55 52.68 1rkg s ASP 144 Cb -0.17 -2.27 1.27 0.00 -0.30 0.00 0.00 42.92 41.45 1rkg s ASP 144 CO -0.15 -0.70 1.69 -0.81 -0.17 0.00 0.00 175.17 175.03 1rkg n PRO 145 N 5.96 0.76 0.00 4.34 -0.04 -1.26 -0.98 135.00 143.77 1rkg n PRO 145 Ca -0.05 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1rkg n PRO 145 Cb 0.47 -1.44 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 1rkg n PRO 145 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1rkg n THR 146 N -0.94 0.00 -2.92 0.52 -2.24 -1.26 -4.98 114.28 102.46 1rkg n THR 146 Ca 0.16 -0.07 -0.22 0.00 -2.27 0.00 0.00 64.05 61.65 1rkg n THR 146 Cb 0.07 0.93 0.02 0.00 -2.10 0.00 0.00 70.33 69.25 1rkg n THR 146 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1rkg n TYR 147 N -1.07 -1.75 0.03 4.78 4.02 -0.15 -4.85 117.16 118.17 1rkg n TYR 147 Ca 0.06 0.40 0.00 0.00 -0.01 0.00 0.00 57.90 58.35 1rkg n TYR 147 Cb 0.37 -4.16 0.31 0.00 -0.02 0.00 0.00 39.34 35.85 1rkg n TYR 147 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rkg h ALA 148 N 1.00 1.39 0.00 -0.72 0.00 -1.94 -2.42 119.26 116.57 1rkg h ALA 148 Ca -0.50 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1rkg h ALA 148 Cb 1.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1rkg h ALA 148 CO 0.56 0.42 0.00 -0.44 0.00 0.00 0.00 179.25 179.79 1rkg h ASP 149 N 0.43 0.00 0.01 0.00 3.32 -1.95 -3.16 116.42 115.07 1rkg h ASP 149 Ca 0.09 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1rkg h ASP 149 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1rkg h ASP 149 CO 0.02 0.00 -0.00 -0.26 -1.72 0.00 0.00 179.24 177.27 1rkg h PHE 150 N 0.00 0.00 0.00 4.55 -1.00 -1.82 -1.40 116.94 117.27 1rkg h PHE 150 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1rkg h PHE 150 Cb 0.30 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.86 1rkg h PHE 150 CO 0.00 0.00 -0.04 0.00 -1.61 0.00 0.00 178.31 176.67 1rkg h ARG 151 N 0.00 0.00 -0.00 1.51 -0.00 -1.77 -2.14 114.38 111.98 1rkg h ARG 151 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1rkg h ARG 151 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.98 1rkg h ARG 151 CO 0.00 0.04 -0.21 -0.25 0.00 0.00 0.00 179.97 179.55 1rkg n ASP 152 N -3.80 0.44 -4.79 7.04 8.00 -0.53 -4.88 116.55 118.04 1rkg n ASP 152 Ca -0.03 -0.29 -0.32 0.00 0.71 0.00 0.00 54.79 54.87 1rkg n ASP 152 Cb 0.13 -0.05 0.06 0.00 -0.02 0.00 0.00 41.12 41.24 1rkg n ASP 152 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1rkg s PHE 153 N -2.74 2.79 0.29 1.24 2.99 -0.81 -4.99 117.98 116.75 1rkg s PHE 153 Ca 0.20 1.51 -0.29 0.00 0.00 0.00 0.00 56.93 58.35 1rkg s PHE 153 Cb 0.19 -3.02 -0.13 0.00 0.00 0.00 0.00 43.02 40.06 1rkg s PHE 153 CO 0.55 -1.52 1.31 0.54 -0.00 0.00 0.00 175.22 176.10 1rkg n ARG 154 N -2.98 1.99 -1.90 0.44 1.74 -1.26 -4.91 116.66 109.78 1rkg n ARG 154 Ca 0.09 0.70 -0.38 0.00 -0.77 0.00 0.00 57.85 57.50 1rkg n ARG 154 Cb 0.53 -2.30 0.03 0.00 -1.02 0.00 0.00 32.46 29.70 1rkg n ARG 154 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1rkg s PRO 155 N -1.18 3.22 0.34 5.56 0.04 -1.26 -3.91 135.00 137.81 1rkg s PRO 155 Ca 0.62 2.09 -0.29 0.00 0.04 0.00 0.00 61.00 63.46 1rkg s PRO 155 Cb -0.62 -2.23 -0.10 0.00 0.04 0.00 0.00 34.50 31.58 1rkg s PRO 155 CO 0.56 -1.08 1.36 -1.25 0.04 0.00 0.00 177.00 176.63 1rkg s PRO 156 N -2.93 4.28 -0.14 0.56 0.04 -1.26 -4.34 135.00 131.21 1rkg s PRO 156 Ca 0.71 2.32 0.00 0.00 0.04 0.00 0.00 61.00 64.07 1rkg s PRO 156 Cb -0.37 -3.04 0.03 0.00 0.04 0.00 0.00 34.50 31.16 1rkg s PRO 156 CO 0.43 -0.29 -0.11 0.08 0.04 0.00 0.00 177.00 177.15 1rkg s VAL 157 N -1.09 1.34 -0.24 -0.36 1.01 -1.25 -5.07 120.40 114.73 1rkg s VAL 157 Ca 0.50 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1rkg s VAL 157 Cb -0.42 -1.32 0.06 0.00 0.00 0.00 0.00 36.38 34.70 1rkg s VAL 157 CO 0.55 0.38 -0.06 -0.13 0.00 0.00 0.00 175.10 175.84 1rkg s ARG 158 N 1.57 1.75 0.00 2.72 0.52 -1.26 -3.73 118.95 120.52 1rkg s ARG 158 Ca 0.04 -1.09 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 1rkg s ARG 158 Cb -0.13 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.67 1rkg s ARG 158 CO -0.09 -0.61 0.00 0.00 0.02 0.00 0.00 175.30 174.62 1rkg n MET 159 N 4.61 0.00 0.00 3.54 0.00 -1.26 -5.19 117.12 118.82 1rkg n MET 159 Ca -0.12 0.08 0.00 0.00 0.00 0.00 0.00 57.70 57.66 1rkg n MET 159 Cb 0.43 -0.42 0.00 0.00 0.00 0.00 0.00 33.22 33.24 1rkg n MET 159 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1rkg n SER 218 N -1.84 0.00 0.20 3.17 3.41 -1.26 -5.20 113.62 112.10 1rkg n SER 218 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1rkg n SER 218 Cb 0.00 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.28 1rkg n SER 218 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1rkg h PRO 219 N 0.00 0.00 -3.06 4.33 0.11 -2.02 -3.47 132.00 127.89 1rkg h PRO 219 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 1rkg h PRO 219 Cb 0.00 0.00 0.05 0.00 0.11 0.00 0.00 31.00 31.16 1rkg h PRO 219 CO 0.00 0.25 -0.21 1.28 -0.21 0.00 0.00 178.00 179.11 1rkg n LEU 220 N -3.30 -2.60 0.27 2.35 4.77 -1.26 -4.98 117.00 112.26 1rkg n LEU 220 Ca 0.01 -0.17 0.15 0.00 -0.03 0.00 0.00 56.01 55.97 1rkg n LEU 220 Cb 0.51 -1.21 0.75 0.00 -2.33 0.00 0.00 43.42 41.14 1rkg n LEU 220 CO 0.35 0.09 0.99 0.77 -1.33 0.00 0.00 177.39 178.26 1rkg h SER 221 N -0.49 0.00 -0.01 -1.43 4.64 -1.76 -2.30 113.55 112.20 1rkg h SER 221 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1rkg h SER 221 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1rkg h SER 221 CO 0.13 0.08 -0.31 0.23 -0.87 0.00 0.00 176.83 176.09 1rkg n MET 222 N -3.35 1.55 -0.05 4.77 2.81 -0.35 -3.75 117.12 118.75 1rkg n MET 222 Ca -0.01 -1.27 -0.08 0.00 -1.81 0.00 0.00 57.70 54.53 1rkg n MET 222 Cb 0.26 -1.47 -0.02 0.00 -0.71 0.00 0.00 33.22 31.28 1rkg n MET 222 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1rkg h LEU 223 N 3.11 -0.31 -0.32 4.03 5.85 -1.28 -1.10 115.31 125.28 1rkg h LEU 223 Ca 0.00 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1rkg h LEU 223 Cb 0.82 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1rkg h LEU 223 CO 0.00 -0.12 0.14 -0.65 -0.34 0.00 0.00 178.44 177.47 1rkg h PRO 224 N -0.05 0.29 -0.18 5.25 0.11 -1.79 0.47 132.00 136.10 1rkg h PRO 224 Ca 0.12 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 1rkg h PRO 224 Cb 0.23 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 1rkg h PRO 224 CO -0.27 0.19 0.09 1.25 -0.21 0.00 0.00 178.00 179.05 1rkg h HIS 225 N 0.30 0.25 -0.00 0.65 -0.00 -1.66 -1.96 115.15 112.74 1rkg h HIS 225 Ca 0.14 -0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.34 1rkg h HIS 225 Cb 0.07 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 1rkg h HIS 225 CO -0.11 0.27 -0.74 -0.07 -0.00 0.00 0.00 177.93 177.27 1rkg h LEU 226 N 0.17 0.01 -0.69 0.26 3.38 -1.04 -0.66 115.31 116.74 1rkg h LEU 226 Ca 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1rkg h LEU 226 Cb 0.10 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1rkg h LEU 226 CO -0.01 0.75 0.43 0.00 0.09 0.00 0.00 178.44 179.70 1rkg h ALA 227 N 1.25 0.87 -0.46 1.53 0.00 -0.02 0.13 119.26 122.56 1rkg h ALA 227 Ca -0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1rkg h ALA 227 Cb 1.31 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1rkg h ALA 227 CO 0.10 0.33 -0.08 -0.44 0.00 0.00 0.00 179.25 179.15 1rkg h ASP 228 N 0.93 0.79 -0.32 0.00 3.45 -0.88 -0.01 116.42 120.39 1rkg h ASP 228 Ca 0.25 -0.23 -0.07 0.00 0.43 0.00 0.00 57.03 57.41 1rkg h ASP 228 Cb -0.06 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.49 1rkg h ASP 228 CO -0.05 0.91 -0.08 0.25 -1.57 0.00 0.00 179.24 178.70 1rkg h LEU 229 N 0.74 0.62 -0.35 1.55 5.85 -0.83 0.05 115.31 122.94 1rkg h LEU 229 Ca 0.13 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1rkg h LEU 229 Cb 0.57 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1rkg h LEU 229 CO 0.03 0.85 0.19 0.58 -0.34 0.00 0.00 178.44 179.75 1rkg h VAL 230 N 0.39 1.14 -0.13 1.05 2.07 -0.45 -1.04 116.25 119.27 1rkg h VAL 230 Ca 0.08 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1rkg h VAL 230 Cb 0.58 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1rkg h VAL 230 CO 0.03 0.14 0.08 -1.28 0.02 0.00 0.00 177.57 176.56 1rkg h SER 231 N 0.44 0.16 -0.70 0.57 0.87 -0.79 0.13 113.55 114.23 1rkg h SER 231 Ca 0.12 -0.06 0.09 0.00 -1.23 0.00 0.00 61.79 60.71 1rkg h SER 231 Cb 0.06 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 61.91 1rkg h SER 231 CO -0.02 0.18 0.34 0.22 -0.53 0.00 0.00 176.83 177.02 1rkg h TYR 232 N 0.13 0.61 -0.32 2.24 3.20 -0.95 -2.44 116.97 119.45 1rkg h TYR 232 Ca 0.05 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 1rkg h TYR 232 Cb 0.05 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1rkg h TYR 232 CO -0.05 0.22 -0.34 0.77 -1.64 0.00 0.00 178.16 177.12 1rkg h SER 233 N 0.58 0.74 -0.63 -2.11 0.02 -0.30 -1.88 113.55 109.98 1rkg h SER 233 Ca 0.35 -0.31 0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1rkg h SER 233 Cb 0.37 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.65 1rkg h SER 233 CO -0.27 1.02 0.33 0.40 -1.14 0.00 0.00 176.83 177.17 1rkg h ILE 234 N 0.60 0.94 -0.74 3.27 2.04 -0.42 -0.19 117.51 123.00 1rkg h ILE 234 Ca 0.06 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.73 1rkg h ILE 234 Cb 0.86 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1rkg h ILE 234 CO 0.08 0.11 0.48 1.56 0.00 0.00 0.00 178.15 180.37 1rkg h GLN 235 N 0.61 0.92 -0.45 2.37 4.20 -0.90 -0.14 115.11 121.73 1rkg h GLN 235 Ca 0.29 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.80 1rkg h GLN 235 Cb 0.21 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1rkg h GLN 235 CO -0.20 0.61 -0.28 0.87 -0.67 0.00 0.00 178.83 179.16 1rkg h LYS 236 N 0.95 0.97 -0.84 1.46 1.79 -1.00 -2.06 116.57 117.83 1rkg h LYS 236 Ca 0.29 -0.45 -0.01 0.00 -2.18 0.00 0.00 60.65 58.30 1rkg h LYS 236 Cb -0.03 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.57 1rkg h LYS 236 CO -0.09 1.12 0.49 0.28 -1.08 0.00 0.00 179.45 180.16 1rkg h VAL 237 N 0.82 1.24 -0.61 0.50 2.07 -0.65 -0.07 116.25 119.55 1rkg h VAL 237 Ca 0.09 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1rkg h VAL 237 Cb 0.86 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1rkg h VAL 237 CO 0.08 0.26 0.38 0.40 0.02 0.00 0.00 177.57 178.70 1rkg h ILE 238 N 1.16 1.17 -0.31 4.57 2.04 -0.86 0.35 117.51 125.64 1rkg h ILE 238 Ca 0.30 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.70 1rkg h ILE 238 Cb -0.01 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1rkg h ILE 238 CO -0.05 0.18 -0.20 1.23 0.00 0.00 0.00 178.15 179.31 1rkg h GLY 239 N 0.83 0.61 0.78 5.37 0.00 -0.80 -2.10 103.07 107.76 1rkg h GLY 239 Ca 0.22 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1rkg h GLY 239 CO -0.04 0.44 -0.01 -2.75 0.00 0.00 0.00 176.54 174.17 1rkg h PHE 240 N 0.51 -0.03 -0.90 5.60 3.57 -0.81 -3.31 116.94 121.57 1rkg h PHE 240 Ca 0.08 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.69 1rkg h PHE 240 Cb 0.62 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 1rkg h PHE 240 CO 0.02 0.19 0.58 0.00 -2.23 0.00 0.00 178.31 176.88 1rkg h ALA 241 N 0.72 1.67 0.00 2.41 0.00 -0.50 -1.76 119.26 121.80 1rkg h ALA 241 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1rkg h ALA 241 Cb 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rkg h ALA 241 CO 0.01 0.13 -0.14 0.87 0.00 0.00 0.00 179.25 180.11 1rkg h LYS 242 N 0.85 0.00 -0.00 0.00 1.57 -1.48 -1.99 116.57 115.52 1rkg h LYS 242 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1rkg h LYS 242 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1rkg h LYS 242 CO -0.19 0.14 -0.41 -1.33 -0.57 0.00 0.00 179.45 177.09 1rkg n MET 243 N -4.13 0.30 -1.75 3.15 2.81 -0.67 -4.61 117.12 112.22 1rkg n MET 243 Ca -0.02 -0.17 -0.42 0.00 -1.81 0.00 0.00 57.70 55.27 1rkg n MET 243 Cb 0.22 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 1rkg n MET 243 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1rkg s ILE 244 N -2.82 2.80 0.01 2.02 1.01 -0.75 -4.84 121.20 118.63 1rkg s ILE 244 Ca 0.16 0.14 -0.35 0.00 0.00 0.00 0.00 60.65 60.60 1rkg s ILE 244 Cb 0.18 -3.09 -0.14 0.00 0.01 0.00 0.00 42.46 39.43 1rkg s ILE 244 CO 0.64 -0.00 1.68 -2.65 0.00 0.00 0.00 174.94 174.60 1rkg n PRO 245 N 6.30 1.93 0.00 2.79 -0.02 -1.26 -0.98 135.00 143.77 1rkg n PRO 245 Ca 0.18 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1rkg n PRO 245 Cb 0.40 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1rkg n PRO 245 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rkg n GLY 246 N 3.76 3.32 0.32 -1.23 0.00 -1.26 -4.91 105.19 105.20 1rkg n GLY 246 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1rkg n GLY 246 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1rkg h PHE 247 N 0.00 0.68 0.00 1.61 3.57 -1.36 -1.49 116.94 119.95 1rkg h PHE 247 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1rkg h PHE 247 Cb 0.00 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 1rkg h PHE 247 CO 0.00 0.46 -0.01 0.07 -2.23 0.00 0.00 178.31 176.60 1rkg h ARG 248 N 0.72 0.00 -0.00 1.11 0.11 -1.82 -2.40 114.38 112.10 1rkg h ARG 248 Ca 0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.27 1rkg h ARG 248 Cb -0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.05 1rkg h ARG 248 CO -0.04 0.01 -0.01 -0.25 0.10 0.00 0.00 179.97 179.79 1rkg n ASP 249 N -3.56 0.01 -4.87 0.08 8.00 -0.56 -4.85 116.55 110.80 1rkg n ASP 249 Ca -0.03 0.38 -0.30 0.00 0.71 0.00 0.00 54.79 55.54 1rkg n ASP 249 Cb 0.10 -0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 40.73 1rkg n ASP 249 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rkg s LEU 250 N -2.92 3.54 0.78 0.64 1.43 -0.91 -5.05 118.68 116.19 1rkg s LEU 250 Ca 0.17 1.31 -0.11 0.00 -1.03 0.00 0.00 54.13 54.47 1rkg s LEU 250 Cb 0.19 -4.28 0.06 0.00 0.03 0.00 0.00 46.19 42.20 1rkg s LEU 250 CO 0.52 -0.64 1.10 0.42 0.23 0.00 0.00 176.35 177.98 1rkg s THR 251 N -2.78 3.18 0.32 5.49 -4.23 -1.26 -4.84 115.64 111.53 1rkg s THR 251 Ca 0.54 0.39 0.02 0.00 -1.18 0.00 0.00 61.69 61.46 1rkg s THR 251 Cb -0.10 -2.83 0.19 0.00 1.34 0.00 0.00 72.50 71.09 1rkg s THR 251 CO 0.41 -0.49 1.90 0.77 -0.54 0.00 0.00 174.62 176.67 1rkg h SER 252 N -1.13 0.64 -0.26 3.99 4.64 -1.96 -0.67 113.55 118.79 1rkg h SER 252 Ca -0.44 -0.09 0.06 0.00 -0.47 0.00 0.00 61.79 60.86 1rkg h SER 252 Cb 1.24 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 63.10 1rkg h SER 252 CO 0.50 0.61 -0.13 0.44 -0.87 0.00 0.00 176.83 177.38 1rkg h ASP 253 N 0.69 -0.44 0.17 4.97 5.19 -1.99 0.13 116.42 125.14 1rkg h ASP 253 Ca 0.16 0.10 -0.16 0.00 -0.62 0.00 0.00 57.03 56.52 1rkg h ASP 253 Cb 0.20 0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 1rkg h ASP 253 CO -0.01 -0.17 -0.58 0.44 -3.12 0.00 0.00 179.24 175.80 1rkg h ASP 254 N -0.10 0.47 -0.50 6.45 3.45 -1.85 -1.73 116.42 122.62 1rkg h ASP 254 Ca 0.14 -0.26 0.07 0.00 0.43 0.00 0.00 57.03 57.41 1rkg h ASP 254 Cb 0.31 -0.14 -0.06 0.00 -0.56 0.00 0.00 39.33 38.88 1rkg h ASP 254 CO -0.33 0.95 0.17 1.56 -1.57 0.00 0.00 179.24 180.02 1rkg h GLN 255 N 0.32 0.33 0.14 3.56 4.20 -0.73 -1.19 115.11 121.75 1rkg h GLN 255 Ca -0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1rkg h GLN 255 Cb 1.11 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1rkg h GLN 255 CO 0.10 0.22 -0.07 0.82 -0.67 0.00 0.00 178.83 179.23 1rkg h ILE 256 N 0.34 0.92 -0.56 2.54 2.04 -0.48 -1.69 117.51 120.62 1rkg h ILE 256 Ca 0.24 -0.24 0.11 0.00 1.00 0.00 0.00 64.86 65.96 1rkg h ILE 256 Cb 0.27 1.07 -0.09 0.00 -0.74 0.00 0.00 36.82 37.33 1rkg h ILE 256 CO -0.25 0.06 0.08 0.58 0.00 0.00 0.00 178.15 178.61 1rkg h VAL 257 N -0.31 0.62 -0.35 1.67 2.07 -1.20 0.33 116.25 119.09 1rkg h VAL 257 Ca -0.02 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1rkg h VAL 257 Cb 0.25 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1rkg h VAL 257 CO 0.03 0.04 -0.01 -0.07 0.02 0.00 0.00 177.57 177.58 1rkg h LEU 258 N 0.20 0.61 -0.26 2.57 3.38 -1.04 -1.82 115.31 118.95 1rkg h LEU 258 Ca 0.29 -0.32 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 1rkg h LEU 258 Cb 0.44 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1rkg h LEU 258 CO -0.41 0.78 -0.57 -0.07 0.09 0.00 0.00 178.44 178.26 1rkg h LEU 259 N 0.43 0.95 -0.74 1.67 3.38 -1.13 -1.18 115.31 118.69 1rkg h LEU 259 Ca 0.10 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.53 1rkg h LEU 259 Cb 0.47 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1rkg h LEU 259 CO 0.02 1.32 0.49 0.50 0.09 0.00 0.00 178.44 180.86 1rkg h LYS 260 N 0.61 0.96 0.00 1.13 3.64 -0.85 -0.33 116.57 121.73 1rkg h LYS 260 Ca 0.00 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.15 1rkg h LYS 260 Cb 1.18 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1rkg h LYS 260 CO 0.13 0.63 -0.83 0.66 -2.27 0.00 0.00 179.45 177.77 1rkg h SER 261 N 0.99 0.00 0.32 4.20 4.64 -1.29 -3.34 113.55 119.07 1rkg h SER 261 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1rkg h SER 261 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1rkg h SER 261 CO -0.06 0.83 -1.23 -1.54 -0.87 0.00 0.00 176.83 173.96 1rkg n SER 262 N -3.41 0.55 -0.11 4.97 3.41 -0.45 -4.61 113.62 113.96 1rkg n SER 262 Ca 0.00 -0.23 -0.05 0.00 -0.26 0.00 0.00 58.87 58.33 1rkg n SER 262 Cb 0.84 1.06 0.01 0.00 -0.26 0.00 0.00 64.21 65.86 1rkg n SER 262 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rkg h ALA 263 N 2.45 0.27 -0.47 7.33 0.00 -1.18 0.18 119.26 127.84 1rkg h ALA 263 Ca 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1rkg h ALA 263 Cb 0.78 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1rkg h ALA 263 CO 0.00 -0.45 0.07 0.97 0.00 0.00 0.00 179.25 179.84 1rkg h ILE 264 N 0.02 1.22 -0.40 0.00 6.09 -1.84 -1.04 117.51 121.55 1rkg h ILE 264 Ca 0.19 -0.84 -0.08 0.00 -1.37 0.00 0.00 64.86 62.75 1rkg h ILE 264 Cb 0.28 0.78 -0.01 0.00 0.47 0.00 0.00 36.82 38.34 1rkg h ILE 264 CO -0.39 0.30 -0.07 -0.33 -3.07 0.00 0.00 178.15 174.60 1rkg h GLU 265 N 0.71 0.76 -0.16 2.19 5.08 -1.49 -1.01 114.58 120.66 1rkg h GLU 265 Ca 0.15 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 1rkg h GLU 265 Cb 0.33 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1rkg h GLU 265 CO 0.01 0.88 -0.40 0.28 -1.00 0.00 0.00 179.01 178.78 1rkg h VAL 266 N 0.58 1.30 -0.44 3.13 2.07 -0.75 0.42 116.25 122.56 1rkg h VAL 266 Ca 0.11 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 1rkg h VAL 266 Cb 0.59 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1rkg h VAL 266 CO 0.03 0.46 0.23 0.40 0.02 0.00 0.00 177.57 178.72 1rkg h ILE 267 N 0.31 1.17 -0.52 4.57 2.04 -0.98 0.23 117.51 124.32 1rkg h ILE 267 Ca 0.03 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1rkg h ILE 267 Cb 0.83 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1rkg h ILE 267 CO 0.07 0.18 0.34 0.24 0.00 0.00 0.00 178.15 178.98 1rkg h MET 268 N 0.57 0.69 0.08 2.37 2.86 -0.74 0.23 114.93 121.00 1rkg h MET 268 Ca 0.15 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1rkg h MET 268 Cb 0.07 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1rkg h MET 268 CO -0.02 0.46 -0.04 -0.07 1.06 0.00 0.00 176.91 178.30 1rkg h LEU 269 N 0.71 -0.09 -1.33 1.22 3.38 -0.67 -3.12 115.31 115.41 1rkg h LEU 269 Ca 0.19 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1rkg h LEU 269 Cb -0.08 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1rkg h LEU 269 CO -0.04 0.08 -0.28 0.08 0.09 0.00 0.00 178.44 178.36 1rkg h ARG 270 N -0.26 0.00 0.00 1.13 0.11 -0.39 -1.46 114.38 113.51 1rkg h ARG 270 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1rkg h ARG 270 Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 1rkg h ARG 270 CO 0.02 0.28 0.00 0.66 0.10 0.00 0.00 179.97 181.03 1rkg h SER 271 N 0.00 0.00 0.07 0.08 4.64 -0.88 -2.59 113.55 114.86 1rkg h SER 271 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1rkg h SER 271 Cb 0.65 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1rkg h SER 271 CO 0.04 0.00 -0.04 -1.13 -0.87 0.00 0.00 176.83 174.83 1rkg h ASN 272 N 0.00 0.00 -0.08 4.97 -0.73 -1.29 -1.35 115.58 117.10 1rkg h ASN 272 Ca 0.00 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.13 1rkg h ASN 272 Cb 0.26 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.83 1rkg h ASN 272 CO 0.00 0.04 -0.04 -0.61 -0.37 0.00 0.00 177.43 176.44 1rkg h GLN 273 N 0.00 0.31 0.00 6.67 4.15 -1.66 -2.57 115.11 122.02 1rkg h GLN 273 Ca -0.00 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 1rkg h GLN 273 Cb 0.08 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 1rkg h GLN 273 CO 0.00 0.38 -1.01 0.66 -1.93 0.00 0.00 178.83 176.93 1rkg h SER 274 N 0.30 0.00 -3.79 -0.69 4.64 -1.49 -3.48 113.55 109.04 1rkg h SER 274 Ca 0.07 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.86 1rkg h SER 274 Cb 0.28 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.45 1rkg h SER 274 CO 0.01 0.06 0.71 0.12 -0.87 0.00 0.00 176.83 176.86 1rkg s PHE 275 N -3.32 2.90 -0.07 4.77 5.36 -0.70 -1.01 117.98 125.92 1rkg s PHE 275 Ca -0.00 1.25 0.02 0.00 -0.96 0.00 0.00 56.93 57.23 1rkg s PHE 275 Cb 0.09 -3.82 0.02 0.00 -0.34 0.00 0.00 43.02 38.97 1rkg s PHE 275 CO 0.79 -2.39 -0.09 -0.08 -1.46 0.00 0.00 175.22 171.99 1rkg s THR 276 N -0.89 0.96 -1.16 0.12 -1.32 -0.02 -4.90 115.64 108.43 1rkg s THR 276 Ca 0.52 -0.36 0.20 0.00 -1.21 0.00 0.00 61.69 60.84 1rkg s THR 276 Cb -0.42 -0.91 0.23 0.00 -1.51 0.00 0.00 72.50 69.89 1rkg s THR 276 CO 0.54 0.32 1.63 0.23 -2.21 0.00 0.00 174.62 175.13 1rkg n MET 277 N 4.04 0.11 -0.18 7.08 2.81 -1.26 -1.24 117.12 128.47 1rkg n MET 277 Ca -0.22 0.14 -0.01 0.00 -1.81 0.00 0.00 57.70 55.81 1rkg n MET 277 Cb 0.51 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.61 1rkg n MET 277 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1rkg h ASP 278 N 0.00 -0.17 0.00 7.83 5.19 -1.94 -3.32 116.42 124.00 1rkg h ASP 278 Ca 0.00 0.13 -0.06 0.00 -0.62 0.00 0.00 57.03 56.48 1rkg h ASP 278 Cb 0.28 0.21 -0.12 0.00 0.18 0.00 0.00 39.33 39.88 1rkg h ASP 278 CO 0.00 -0.06 -0.62 -0.90 -3.12 0.00 0.00 179.24 174.54 1rkg n ASP 279 N -5.22 0.26 -3.64 6.45 5.75 -1.21 -5.03 116.55 113.91 1rkg n ASP 279 Ca 0.07 -1.93 -0.21 0.00 -0.01 0.00 0.00 54.79 52.72 1rkg n ASP 279 Cb 0.31 -0.20 0.05 0.00 -1.03 0.00 0.00 41.12 40.25 1rkg n ASP 279 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1rkg n MET 280 N 0.15 -5.62 -4.24 0.11 2.81 -0.37 -4.98 117.12 104.98 1rkg n MET 280 Ca 0.01 0.69 -0.14 0.00 -1.81 0.00 0.00 57.70 56.45 1rkg n MET 280 Cb 0.82 -5.44 -0.10 0.00 -0.71 0.00 0.00 33.22 27.79 1rkg n MET 280 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1rkg s SER 281 N -4.21 1.25 -0.42 7.83 1.04 -1.02 -4.46 113.70 113.72 1rkg s SER 281 Ca 0.10 -1.17 -0.16 0.00 0.48 0.00 0.00 55.95 55.20 1rkg s SER 281 Cb -0.05 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.21 1rkg s SER 281 CO 0.79 -0.56 0.35 0.26 0.98 0.00 0.00 173.24 175.06 1rkg s TRP 282 N -3.64 3.22 -0.50 5.02 0.51 0.10 -0.84 118.94 122.80 1rkg s TRP 282 Ca 0.24 -0.54 -0.12 0.00 -2.12 0.00 0.00 56.10 53.56 1rkg s TRP 282 Cb 0.06 -2.72 0.12 0.00 -0.81 0.00 0.00 33.47 30.11 1rkg s TRP 282 CO 0.04 -0.64 0.41 0.34 -0.51 0.00 0.00 176.95 176.59 1rkg s ASP 283 N 1.77 5.94 -0.52 2.95 2.15 -0.18 -0.77 116.67 128.01 1rkg s ASP 283 Ca 0.07 -1.80 0.02 0.00 0.43 0.00 0.00 52.55 51.27 1rkg s ASP 283 Cb -0.19 -2.11 0.59 0.00 -0.30 0.00 0.00 42.92 40.92 1rkg s ASP 283 CO 0.11 -0.75 1.93 0.00 -0.17 0.00 0.00 175.17 176.29 1rkg n GLY 285 N -1.07 2.14 3.53 0.00 0.00 -1.26 -4.75 105.19 103.78 1rkg n GLY 285 Ca 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.52 1rkg n GLY 285 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rkg s SER 286 N -1.73 -0.37 0.39 1.61 1.04 -1.26 -5.04 113.70 108.33 1rkg s SER 286 Ca 0.00 -0.31 0.05 0.00 0.48 0.00 0.00 55.95 56.17 1rkg s SER 286 Cb 0.00 0.60 0.77 0.00 0.10 0.00 0.00 66.02 67.50 1rkg s SER 286 CO 0.00 -1.06 2.03 -0.61 0.98 0.00 0.00 173.24 174.58 1rkg h GLN 287 N 2.10 0.63 -0.98 4.02 5.75 -1.96 -0.99 115.11 123.69 1rkg h GLN 287 Ca -0.29 -0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.21 1rkg h GLN 287 Cb 1.28 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.63 1rkg h GLN 287 CO 0.36 0.43 0.63 -0.44 -2.65 0.00 0.00 178.83 177.16 1rkg h ASP 288 N 0.65 1.04 -1.25 -0.69 3.45 -1.99 -2.97 116.42 114.66 1rkg h ASP 288 Ca 0.17 0.00 -0.65 0.00 0.43 0.00 0.00 57.03 56.98 1rkg h ASP 288 Cb -0.05 -0.22 -0.34 0.00 -0.56 0.00 0.00 39.33 38.16 1rkg h ASP 288 CO -0.04 0.69 0.23 -1.22 -1.57 0.00 0.00 179.24 177.33 1rkg n TYR 289 N -4.49 3.09 -4.01 4.55 0.53 -0.41 -4.84 117.16 111.58 1rkg n TYR 289 Ca 0.14 -2.68 -0.31 0.00 -1.02 0.00 0.00 57.90 54.03 1rkg n TYR 289 Cb 0.14 -0.89 -0.16 0.00 -1.03 0.00 0.00 39.34 37.40 1rkg n TYR 289 CO 0.00 0.00 0.00 0.21 -1.02 0.00 0.00 176.86 176.05 1rkg s LYS 290 N -3.78 2.13 -0.23 -0.72 2.20 -0.99 -1.08 119.74 117.27 1rkg s LYS 290 Ca 0.56 -0.81 -0.05 0.00 -0.36 0.00 0.00 55.97 55.31 1rkg s LYS 290 Cb 0.45 -2.39 -0.01 0.00 -1.51 0.00 0.00 37.83 34.37 1rkg s LYS 290 CO -0.12 -0.39 -0.01 0.71 -0.36 0.00 0.00 175.35 175.18 1rkg s TYR 291 N 1.39 3.00 0.38 4.03 1.51 0.05 -4.92 117.35 122.79 1rkg s TYR 291 Ca -0.00 -0.85 0.04 0.00 -1.01 0.00 0.00 57.07 55.25 1rkg s TYR 291 Cb -0.16 -2.14 0.04 0.00 -0.11 0.00 0.00 41.96 39.59 1rkg s TYR 291 CO -0.09 -0.52 0.34 -0.40 -1.11 0.00 0.00 175.55 173.77 1rkg n ASP 292 N 4.82 2.06 -0.26 2.29 3.85 -1.26 -0.72 116.55 127.33 1rkg n ASP 292 Ca -0.17 -2.26 0.05 0.00 -0.71 0.00 0.00 54.79 51.70 1rkg n ASP 292 Cb 0.51 -0.08 0.19 0.00 -1.35 0.00 0.00 41.12 40.38 1rkg n ASP 292 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 1rkg h VAL 293 N 0.51 0.68 -0.66 2.12 2.07 -1.94 -2.16 116.25 116.87 1rkg h VAL 293 Ca -0.23 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 1rkg h VAL 293 Cb 0.88 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1rkg h VAL 293 CO 0.36 0.09 0.11 0.71 0.02 0.00 0.00 177.57 178.85 1rkg h THR 294 N 0.48 1.26 -0.67 2.57 1.35 -1.98 -0.80 112.91 115.13 1rkg h THR 294 Ca 0.41 -1.03 -0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1rkg h THR 294 Cb 0.61 0.64 -0.03 0.00 -1.73 0.00 0.00 68.15 67.63 1rkg h THR 294 CO -0.38 0.39 0.40 0.44 -0.25 0.00 0.00 175.52 176.11 1rkg h ASP 295 N 1.02 0.80 -0.19 5.36 3.32 -1.79 -1.86 116.42 123.08 1rkg h ASP 295 Ca 0.20 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1rkg h ASP 295 Cb 0.44 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1rkg h ASP 295 CO 0.01 0.63 -0.22 0.58 -1.72 0.00 0.00 179.24 178.53 1rkg h VAL 296 N 0.91 1.27 -0.21 -1.35 2.07 -1.08 -1.95 116.25 115.90 1rkg h VAL 296 Ca 0.24 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.52 1rkg h VAL 296 Cb -0.02 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1rkg h VAL 296 CO -0.04 0.42 0.15 0.28 0.02 0.00 0.00 177.57 178.39 1rkg h SER 297 N 0.56 0.07 -0.11 0.57 0.02 -0.65 -2.16 113.55 111.86 1rkg h SER 297 Ca 0.08 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1rkg h SER 297 Cb 0.68 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1rkg h SER 297 CO 0.05 0.05 0.00 0.29 -1.14 0.00 0.00 176.83 176.08 1rkg n LYS 298 N -4.49 1.28 -0.20 3.45 5.02 -0.73 -2.71 118.16 119.78 1rkg n LYS 298 Ca 0.02 -0.40 0.06 0.00 -2.02 0.00 0.00 58.31 55.96 1rkg n LYS 298 Cb 0.23 -1.13 0.16 0.00 -0.02 0.00 0.00 35.03 34.27 1rkg n LYS 298 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rkg n ALA 299 N -0.16 2.26 -0.31 7.82 0.00 -0.81 -1.22 120.51 128.10 1rkg n ALA 299 Ca 0.04 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.21 1rkg n ALA 299 Cb 0.12 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1rkg n ALA 299 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rkg n GLY 300 N 0.37 0.83 3.93 0.00 0.00 -1.10 -4.70 105.19 104.52 1rkg n GLY 300 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1rkg n GLY 300 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rkg s HIS 301 N -2.05 3.50 0.42 1.61 3.76 -1.25 -4.88 115.29 116.40 1rkg s HIS 301 Ca 0.00 0.27 0.08 0.00 -0.15 0.00 0.00 55.06 55.25 1rkg s HIS 301 Cb 0.00 -1.78 -0.02 0.00 1.11 0.00 0.00 32.58 31.89 1rkg s HIS 301 CO 0.00 0.50 0.39 0.95 -0.85 0.00 0.00 174.74 175.73 1rkg s THR 302 N -1.68 2.67 0.63 1.30 -4.23 -1.26 -4.36 115.64 108.71 1rkg s THR 302 Ca 0.36 -1.32 0.33 0.00 -1.18 0.00 0.00 61.69 59.88 1rkg s THR 302 Cb -0.12 -2.99 0.37 0.00 1.34 0.00 0.00 72.50 71.10 1rkg s THR 302 CO 0.28 0.00 2.14 -0.07 -0.54 0.00 0.00 174.62 176.43 1rkg h LEU 303 N 1.00 0.00 -1.89 4.79 3.38 -1.99 -1.10 115.31 119.51 1rkg h LEU 303 Ca -0.41 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.68 1rkg h LEU 303 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1rkg h LEU 303 CO 0.57 0.00 0.35 -0.33 0.09 0.00 0.00 178.44 179.11 1rkg h GLU 304 N 0.00 0.12 0.02 1.13 4.39 -2.00 -0.71 114.58 117.53 1rkg h GLU 304 Ca 0.04 -0.01 -0.34 0.00 0.34 0.00 0.00 59.36 59.39 1rkg h GLU 304 Cb 0.38 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.96 1rkg h GLU 304 CO -0.00 0.08 -1.91 -0.11 -1.16 0.00 0.00 179.01 175.91 1rkg n LEU 305 N -4.43 2.14 -0.16 1.33 7.94 -0.57 -4.59 117.00 118.66 1rkg n LEU 305 Ca 0.08 0.30 -0.11 0.00 -1.11 0.00 0.00 56.01 55.18 1rkg n LEU 305 Cb 0.48 -0.94 0.01 0.00 0.53 0.00 0.00 43.42 43.50 1rkg n LEU 305 CO 0.36 0.54 0.70 0.40 -1.11 0.00 0.00 177.39 178.27 1rkg h ILE 306 N -0.71 1.27 -0.11 1.96 2.04 -0.97 -0.86 117.51 120.12 1rkg h ILE 306 Ca -0.50 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.00 1rkg h ILE 306 Cb 1.59 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1rkg h ILE 306 CO -0.22 0.47 0.00 -0.08 0.00 0.00 0.00 178.15 178.32 1rkg h GLU 307 N 0.87 0.19 0.00 2.37 4.22 -1.40 -0.63 114.58 120.20 1rkg h GLU 307 Ca 0.12 -0.06 -0.05 0.00 0.08 0.00 0.00 59.36 59.45 1rkg h GLU 307 Cb 0.75 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1rkg h GLU 307 CO 0.06 0.44 -0.22 -1.35 -2.18 0.00 0.00 179.01 175.75 1rkg h PRO 308 N -0.08 0.00 -0.45 0.92 0.11 -1.73 -1.22 132.00 129.55 1rkg h PRO 308 Ca 0.03 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 1rkg h PRO 308 Cb 0.35 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1rkg h PRO 308 CO 0.01 0.22 0.01 1.25 -0.21 0.00 0.00 178.00 179.28 1rkg h LEU 309 N 0.00 0.76 -0.36 2.35 5.85 -0.75 0.11 115.31 123.27 1rkg h LEU 309 Ca -0.00 -0.30 -0.12 0.00 0.84 0.00 0.00 57.88 58.30 1rkg h LEU 309 Cb 0.44 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1rkg h LEU 309 CO 0.03 0.87 -0.23 0.40 -0.34 0.00 0.00 178.44 179.17 1rkg h ILE 310 N 0.63 1.29 -0.84 4.05 1.08 -0.80 -1.13 117.51 121.78 1rkg h ILE 310 Ca 0.13 -1.38 0.01 0.00 -0.39 0.00 0.00 64.86 63.23 1rkg h ILE 310 Cb 0.47 1.38 -0.04 0.00 -3.07 0.00 0.00 36.82 35.57 1rkg h ILE 310 CO 0.02 0.45 0.55 0.11 -0.69 0.00 0.00 178.15 178.59 1rkg h LYS 311 N 0.58 1.12 -0.47 2.37 6.56 -1.12 -0.54 116.57 125.07 1rkg h LYS 311 Ca 0.07 -0.08 0.05 0.00 -1.06 0.00 0.00 60.65 59.64 1rkg h LYS 311 Cb 0.79 -0.25 -0.05 0.00 -0.57 0.00 0.00 32.23 32.15 1rkg h LYS 311 CO 0.06 0.75 0.19 0.35 -2.06 0.00 0.00 179.45 178.75 1rkg h PHE 312 N 1.15 0.34 -0.42 -1.35 3.57 -0.54 -1.54 116.94 118.14 1rkg h PHE 312 Ca 0.31 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.80 1rkg h PHE 312 Cb -0.11 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1rkg h PHE 312 CO -0.01 0.14 0.14 1.96 -2.23 0.00 0.00 178.31 178.31 1rkg h GLN 313 N 0.38 0.65 -0.16 1.11 1.08 -0.39 -0.27 115.11 117.51 1rkg h GLN 313 Ca 0.22 -0.14 0.03 0.00 -1.45 0.00 0.00 58.65 57.31 1rkg h GLN 313 Cb 0.19 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 1rkg h GLN 313 CO -0.20 0.63 -0.03 0.28 -0.95 0.00 0.00 178.83 178.57 1rkg h VAL 314 N 0.54 0.86 -0.65 -0.54 2.07 -1.03 -0.03 116.25 117.47 1rkg h VAL 314 Ca 0.14 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 1rkg h VAL 314 Cb 0.25 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1rkg h VAL 314 CO -0.01 0.00 0.31 1.23 0.02 0.00 0.00 177.57 179.13 1rkg h GLY 315 N 0.01 0.99 0.93 2.17 0.00 -0.88 -1.67 103.07 104.63 1rkg h GLY 315 Ca 0.07 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 1rkg h GLY 315 CO -0.15 0.45 -0.27 -2.00 0.00 0.00 0.00 176.54 174.57 1rkg h LEU 316 N 0.92 0.68 -0.38 3.11 5.85 -0.87 -2.97 115.31 121.65 1rkg h LEU 316 Ca 0.23 -0.48 0.08 0.00 0.84 0.00 0.00 57.88 58.54 1rkg h LEU 316 Cb 0.10 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.87 1rkg h LEU 316 CO -0.03 1.02 -0.10 0.11 -0.34 0.00 0.00 178.44 179.10 1rkg h LYS 317 N 0.35 -0.01 0.00 1.25 1.79 -0.66 -1.86 116.57 117.44 1rkg h LYS 317 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1rkg h LYS 317 Cb 0.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1rkg h LYS 317 CO 0.07 -0.00 0.00 0.87 -1.08 0.00 0.00 179.45 179.30 1rkg h LYS 318 N -0.01 0.00 0.00 3.15 1.57 -1.26 0.23 116.57 120.25 1rkg h LYS 318 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1rkg h LYS 318 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1rkg h LYS 318 CO -0.39 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.42 1rkg h LEU 319 N 0.00 0.00 -2.23 2.94 3.38 -1.17 -3.47 115.31 114.75 1rkg h LEU 319 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 1rkg h LEU 319 Cb 0.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1rkg h LEU 319 CO 0.00 0.00 -0.89 0.59 0.09 0.00 0.00 178.44 178.23 1rkg n ASN 320 N -2.84 -1.89 -4.77 -0.43 5.03 0.82 -4.86 115.26 106.33 1rkg n ASN 320 Ca 0.01 -0.96 -0.39 0.00 0.87 0.00 0.00 54.58 54.11 1rkg n ASN 320 Cb 0.27 -3.40 -0.01 0.00 -1.02 0.00 0.00 39.78 35.62 1rkg n ASN 320 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1rkg s LEU 321 N -6.75 4.19 0.60 3.41 1.43 -1.26 -5.00 118.68 115.29 1rkg s LEU 321 Ca 0.13 2.45 -0.18 0.00 -1.03 0.00 0.00 54.13 55.49 1rkg s LEU 321 Cb -0.05 -3.99 -0.03 0.00 0.03 0.00 0.00 46.19 42.15 1rkg s LEU 321 CO 0.86 -0.75 1.20 -1.00 0.23 0.00 0.00 176.35 176.88 1rkg s HIS 322 N -1.37 2.40 0.40 0.29 3.76 -1.26 -4.84 115.29 114.68 1rkg s HIS 322 Ca 0.57 1.52 0.13 0.00 -0.15 0.00 0.00 55.06 57.14 1rkg s HIS 322 Cb -0.33 -3.45 0.96 0.00 1.11 0.00 0.00 32.58 30.87 1rkg s HIS 322 CO 0.42 -2.16 1.89 1.49 -0.85 0.00 0.00 174.74 175.53 1rkg h GLU 323 N 0.81 0.51 -0.45 1.40 4.81 -1.99 -0.54 114.58 119.13 1rkg h GLU 323 Ca -0.50 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.76 1rkg h GLU 323 Cb 1.29 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 1rkg h GLU 323 CO 0.55 0.34 0.16 0.93 -0.73 0.00 0.00 179.01 180.25 1rkg h GLU 324 N 0.52 0.32 -0.48 1.92 3.07 -1.96 -0.80 114.58 117.17 1rkg h GLU 324 Ca 0.41 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 59.13 1rkg h GLU 324 Cb 0.83 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 1rkg h GLU 324 CO -0.16 0.21 -0.19 0.93 -1.40 0.00 0.00 179.01 178.39 1rkg h GLU 325 N 0.33 0.98 -0.17 2.33 5.08 -1.51 -2.19 114.58 119.42 1rkg h GLU 325 Ca 0.21 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1rkg h GLU 325 Cb 0.22 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1rkg h GLU 325 CO -0.22 1.09 0.11 1.25 -1.00 0.00 0.00 179.01 180.24 1rkg h HIS 326 N 0.84 0.22 -0.24 4.33 2.76 -0.87 0.97 115.15 123.16 1rkg h HIS 326 Ca 0.11 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.15 1rkg h HIS 326 Cb 0.77 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 1rkg h HIS 326 CO 0.05 0.15 -0.42 -0.39 -1.30 0.00 0.00 177.93 176.03 1rkg h VAL 327 N 0.23 1.30 -0.61 5.26 -1.51 -1.18 -1.79 116.25 117.94 1rkg h VAL 327 Ca 0.06 -1.59 -0.03 0.00 -1.23 0.00 0.00 66.70 63.91 1rkg h VAL 327 Cb -0.01 1.57 -0.03 0.00 -2.13 0.00 0.00 31.29 30.69 1rkg h VAL 327 CO -0.01 0.50 0.26 -0.07 -1.23 0.00 0.00 177.57 177.02 1rkg h LEU 328 N 0.47 0.84 -0.79 4.19 3.38 -1.17 -1.72 115.31 120.51 1rkg h LEU 328 Ca 0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1rkg h LEU 328 Cb 0.93 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 1rkg h LEU 328 CO 0.08 0.77 0.42 0.25 0.09 0.00 0.00 178.44 180.05 1rkg h LEU 329 N 0.85 1.00 -0.59 1.67 5.85 -0.55 0.12 115.31 123.66 1rkg h LEU 329 Ca 0.21 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1rkg h LEU 329 Cb 0.18 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1rkg h LEU 329 CO -0.02 0.82 0.28 0.24 -0.34 0.00 0.00 178.44 179.43 1rkg h MET 330 N 1.11 0.86 -0.75 1.25 2.86 -1.17 -0.89 114.93 118.19 1rkg h MET 330 Ca 0.28 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 1rkg h MET 330 Cb 0.05 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1rkg h MET 330 CO -0.04 0.69 0.24 0.00 1.06 0.00 0.00 176.91 178.86 1rkg h ALA 331 N 1.12 0.98 -0.57 6.32 0.00 -0.88 -1.98 119.26 124.25 1rkg h ALA 331 Ca 0.20 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1rkg h ALA 331 Cb 0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1rkg h ALA 331 CO -0.03 0.66 0.04 0.82 0.00 0.00 0.00 179.25 180.75 1rkg h ILE 332 N 1.11 1.26 -0.43 0.00 2.04 -0.82 -1.84 117.51 118.85 1rkg h ILE 332 Ca 0.24 -1.06 0.08 0.00 1.00 0.00 0.00 64.86 65.13 1rkg h ILE 332 Cb 0.30 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 1rkg h ILE 332 CO -0.01 0.38 -0.02 0.00 0.00 0.00 0.00 178.15 178.50 1rkg h ILE 334 N 0.09 1.20 -1.36 0.00 2.04 -1.12 -3.31 117.51 115.04 1rkg h ILE 334 Ca 0.21 -0.60 -0.76 0.00 1.00 0.00 0.00 64.86 64.71 1rkg h ILE 334 Cb 0.31 1.45 -0.15 0.00 -0.74 0.00 0.00 36.82 37.69 1rkg h ILE 334 CO -0.37 0.17 2.07 0.52 0.00 0.00 0.00 178.15 180.54 1rkg n VAL 335 N -4.89 4.49 -3.83 1.67 0.31 -0.71 -4.78 118.33 110.59 1rkg n VAL 335 Ca -0.06 -4.40 -0.36 0.00 -0.01 0.00 0.00 64.34 59.51 1rkg n VAL 335 Cb 0.15 -2.31 -0.13 0.00 -0.91 0.00 0.00 33.84 30.64 1rkg n VAL 335 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1rkg s SER 336 N 0.73 4.85 0.11 4.52 0.01 -1.25 -4.37 113.70 118.30 1rkg s SER 336 Ca 0.41 -0.26 0.22 0.00 1.31 0.00 0.00 55.95 57.63 1rkg s SER 336 Cb 0.11 -1.86 0.88 0.00 0.21 0.00 0.00 66.02 65.36 1rkg s SER 336 CO -0.01 -0.02 1.68 -0.81 0.41 0.00 0.00 173.24 174.49 1rkg n PRO 337 N 4.83 0.10 -0.12 12.44 -0.04 -1.26 -3.08 135.00 147.87 1rkg n PRO 337 Ca -0.17 0.25 0.10 0.00 -0.04 0.00 0.00 63.50 63.64 1rkg n PRO 337 Cb 0.51 -1.66 0.32 0.00 -0.04 0.00 0.00 33.50 32.63 1rkg n PRO 337 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1rkg n ASP 338 N -1.84 2.09 -4.76 3.54 3.85 -1.26 -4.83 116.55 113.33 1rkg n ASP 338 Ca 0.04 -1.80 -0.41 0.00 -0.71 0.00 0.00 54.79 51.91 1rkg n ASP 338 Cb 0.26 -0.15 -0.02 0.00 -1.35 0.00 0.00 41.12 39.86 1rkg n ASP 338 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1rkg s ARG 339 N -1.69 4.28 0.34 0.11 1.81 -1.18 -4.93 118.95 117.69 1rkg s ARG 339 Ca 0.33 2.32 -0.29 0.00 -1.72 0.00 0.00 55.73 56.36 1rkg s ARG 339 Cb 0.18 -3.06 -0.11 0.00 -0.45 0.00 0.00 34.95 31.50 1rkg s ARG 339 CO 0.26 -0.33 1.52 -0.35 -0.68 0.00 0.00 175.30 175.71 1rkg n PRO 340 N 1.26 2.63 -0.20 3.54 -0.04 -1.26 -2.51 135.00 138.42 1rkg n PRO 340 Ca 0.03 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 1rkg n PRO 340 Cb 0.41 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 1rkg n PRO 340 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rkg n GLY 341 N 1.18 1.15 3.72 0.55 0.00 -1.26 -4.95 105.19 105.58 1rkg n GLY 341 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1rkg n GLY 341 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rkg s VAL 342 N -2.68 2.42 -0.18 1.61 1.01 -1.04 -4.93 120.40 116.61 1rkg s VAL 342 Ca 0.00 0.30 -0.15 0.00 0.00 0.00 0.00 61.98 62.14 1rkg s VAL 342 Cb 0.00 -3.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.09 1rkg s VAL 342 CO 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 175.10 175.03 1rkg n GLN 343 N 3.95 0.51 -2.62 2.72 1.13 -1.26 -4.65 117.38 117.16 1rkg n GLN 343 Ca 0.14 0.48 -0.43 0.00 -1.94 0.00 0.00 57.00 55.25 1rkg n GLN 343 Cb 0.37 -1.66 0.01 0.00 0.11 0.00 0.00 30.24 29.07 1rkg n GLN 343 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1rkg n ASP 344 N -4.50 5.51 -0.08 1.08 4.64 -1.26 -4.83 116.55 117.11 1rkg n ASP 344 Ca -0.21 -3.19 0.02 0.00 -1.38 0.00 0.00 54.79 50.03 1rkg n ASP 344 Cb 0.49 -1.42 0.33 0.00 -1.04 0.00 0.00 41.12 39.48 1rkg n ASP 344 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1rkg h ALA 345 N 5.79 1.52 -0.49 -1.67 0.00 -1.88 -2.30 119.26 120.23 1rkg h ALA 345 Ca 0.32 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1rkg h ALA 345 Cb 0.65 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1rkg h ALA 345 CO 1.49 0.40 -0.09 0.87 0.00 0.00 0.00 179.25 181.92 1rkg h LYS 346 N 0.71 0.93 -0.52 0.00 1.79 -1.95 0.50 116.57 118.03 1rkg h LYS 346 Ca 0.18 -0.34 -0.11 0.00 -2.18 0.00 0.00 60.65 58.20 1rkg h LYS 346 Cb 0.03 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 1rkg h LYS 346 CO -0.03 1.00 -0.10 1.25 -1.08 0.00 0.00 179.45 180.49 1rkg h LEU 347 N 0.78 0.99 -0.34 2.94 5.85 -1.92 0.10 115.31 123.71 1rkg h LEU 347 Ca 0.13 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1rkg h LEU 347 Cb 0.64 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1rkg h LEU 347 CO 0.04 1.11 0.22 0.58 -0.34 0.00 0.00 178.44 180.05 1rkg h VAL 348 N 0.86 1.10 -0.77 1.05 2.07 -1.15 -0.97 116.25 118.45 1rkg h VAL 348 Ca 0.14 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1rkg h VAL 348 Cb 0.66 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1rkg h VAL 348 CO 0.05 0.10 0.43 -0.08 0.02 0.00 0.00 177.57 178.09 1rkg h GLU 349 N 0.46 1.06 -0.55 1.57 4.81 -0.74 0.13 114.58 121.31 1rkg h GLU 349 Ca 0.12 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1rkg h GLU 349 Cb -0.03 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 1rkg h GLU 349 CO -0.03 0.77 0.36 0.00 -0.73 0.00 0.00 179.01 179.39 1rkg h ALA 350 N 1.23 0.70 -0.24 2.92 0.00 -0.70 0.22 119.26 123.39 1rkg h ALA 350 Ca 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1rkg h ALA 350 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1rkg h ALA 350 CO -0.05 0.15 0.09 0.82 0.00 0.00 0.00 179.25 180.27 1rkg h ILE 351 N 0.75 1.18 -0.98 0.00 2.04 -0.72 -2.73 117.51 117.04 1rkg h ILE 351 Ca 0.20 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.53 1rkg h ILE 351 Cb -0.07 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 1rkg h ILE 351 CO -0.04 0.18 0.65 -0.61 0.00 0.00 0.00 178.15 178.33 1rkg h GLN 352 N 0.23 1.30 -0.76 2.37 4.15 -0.29 -2.86 115.11 119.25 1rkg h GLN 352 Ca 0.08 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1rkg h GLN 352 Cb 0.20 -0.29 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 1rkg h GLN 352 CO -0.01 0.86 0.27 -0.44 -1.93 0.00 0.00 178.83 177.58 1rkg h ASP 353 N 1.34 1.09 -0.96 -0.69 3.32 -0.41 0.22 116.42 120.31 1rkg h ASP 353 Ca 0.36 -0.19 0.05 0.00 0.02 0.00 0.00 57.03 57.27 1rkg h ASP 353 Cb -0.15 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.05 1rkg h ASP 353 CO -0.08 0.99 0.63 -0.09 -1.72 0.00 0.00 179.24 178.97 1rkg h ARG 354 N 1.12 1.13 -0.06 3.56 2.43 -1.27 0.11 114.38 121.41 1rkg h ARG 354 Ca 0.25 -0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 59.17 1rkg h ARG 354 Cb 0.27 -0.25 0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1rkg h ARG 354 CO -0.01 0.75 -0.65 -0.07 -1.51 0.00 0.00 179.97 178.47 1rkg h LEU 355 N 1.16 0.67 -0.48 3.80 3.38 -1.20 -2.41 115.31 120.23 1rkg h LEU 355 Ca 0.40 -0.70 0.01 0.00 0.09 0.00 0.00 57.88 57.68 1rkg h LEU 355 Cb 0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1rkg h LEU 355 CO -0.14 1.27 0.32 0.28 0.09 0.00 0.00 178.44 180.26 1rkg h SER 356 N 0.13 0.54 -0.66 -0.43 0.02 -0.21 -0.28 113.55 112.67 1rkg h SER 356 Ca -0.07 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1rkg h SER 356 Cb 1.32 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 1rkg h SER 356 CO 0.13 0.39 0.29 0.78 -1.14 0.00 0.00 176.83 177.29 1rkg h ASN 357 N 0.64 0.90 -0.41 3.07 2.35 -0.85 0.77 115.58 122.05 1rkg h ASN 357 Ca 0.18 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1rkg h ASN 357 Cb -0.07 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 1rkg h ASN 357 CO -0.04 0.78 0.17 0.74 -1.65 0.00 0.00 177.43 177.43 1rkg h THR 358 N 0.97 1.20 -0.29 2.81 2.02 -0.93 -1.04 112.91 117.65 1rkg h THR 358 Ca 0.23 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1rkg h THR 358 Cb 0.15 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1rkg h THR 358 CO -0.02 0.22 0.15 0.25 0.37 0.00 0.00 175.52 176.49 1rkg h LEU 359 N 0.53 0.37 -0.67 2.58 5.85 -0.57 0.17 115.31 123.56 1rkg h LEU 359 Ca 0.14 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1rkg h LEU 359 Cb 0.19 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1rkg h LEU 359 CO -0.01 0.37 0.24 1.56 -0.34 0.00 0.00 178.44 180.26 1rkg h GLN 360 N 0.34 1.02 -0.40 1.25 4.20 -0.73 -0.99 115.11 119.80 1rkg h GLN 360 Ca 0.10 -0.20 -0.10 0.00 0.06 0.00 0.00 58.65 58.51 1rkg h GLN 360 Cb 0.09 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1rkg h GLN 360 CO -0.01 0.87 -0.15 1.15 -0.67 0.00 0.00 178.83 180.02 1rkg h THR 361 N 0.96 1.28 -0.35 -0.54 2.02 -1.05 -2.27 112.91 112.95 1rkg h THR 361 Ca 0.22 -1.26 0.04 0.00 0.77 0.00 0.00 66.41 66.18 1rkg h THR 361 Cb 0.25 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1rkg h THR 361 CO -0.01 0.42 0.11 0.22 0.37 0.00 0.00 175.52 176.63 1rkg h TYR 362 N 0.62 0.19 -0.29 3.16 5.03 -0.34 0.05 116.97 125.40 1rkg h TYR 362 Ca 0.10 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.43 1rkg h TYR 362 Cb 0.69 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.92 1rkg h TYR 362 CO 0.05 0.07 0.19 0.82 -1.32 0.00 0.00 178.16 177.98 1rkg h ILE 363 N 0.25 1.08 -0.89 1.81 2.04 -1.10 0.16 117.51 120.86 1rkg h ILE 363 Ca 0.16 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 1rkg h ILE 363 Cb 0.15 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1rkg h ILE 363 CO -0.18 0.07 0.50 0.03 0.00 0.00 0.00 178.15 178.57 1rkg h ARG 364 N 0.39 1.23 0.00 2.37 3.08 -1.07 -2.41 114.38 117.97 1rkg h ARG 364 Ca 0.10 -0.14 -0.23 0.00 0.07 0.00 0.00 59.98 59.78 1rkg h ARG 364 Cb -0.04 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.72 1rkg h ARG 364 CO -0.02 0.89 -1.47 0.00 -1.07 0.00 0.00 179.97 178.30 1rkg n ARG 366 N -3.04 3.39 -3.70 0.00 5.12 0.54 -4.94 116.66 114.04 1rkg n ARG 366 Ca -0.12 -0.04 -0.38 0.00 -1.93 0.00 0.00 57.85 55.38 1rkg n ARG 366 Cb 0.95 -0.35 -0.11 0.00 -1.16 0.00 0.00 32.46 31.79 1rkg n ARG 366 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1rkg s HIS 367 N -0.49 3.39 0.33 -1.55 2.46 -0.91 -5.01 115.29 113.50 1rkg s HIS 367 Ca 0.00 -1.80 -0.29 0.00 0.47 0.00 0.00 55.06 53.45 1rkg s HIS 367 Cb 0.00 -2.86 -0.11 0.00 -0.13 0.00 0.00 32.58 29.48 1rkg s HIS 367 CO 0.00 -0.87 1.40 -2.14 -2.47 0.00 0.00 174.74 170.67 1rkg s PRO 368 N 1.33 4.25 0.35 2.88 0.02 -1.26 -4.53 135.00 138.04 1rkg s PRO 368 Ca 0.03 2.36 -0.26 0.00 0.02 0.00 0.00 61.00 63.15 1rkg s PRO 368 Cb -0.22 -3.05 -0.13 0.00 0.02 0.00 0.00 34.50 31.13 1rkg s PRO 368 CO 0.00 -0.37 0.92 -2.30 -0.33 0.00 0.00 177.00 174.92 1rkg n PRO 369 N 1.10 1.18 0.05 5.54 -0.02 -1.26 -2.67 135.00 138.92 1rkg n PRO 369 Ca 0.02 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 62.04 1rkg n PRO 369 Cb 0.40 -1.83 0.15 0.00 -0.02 0.00 0.00 33.50 32.20 1rkg n PRO 369 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1rkg n PRO 370 N 0.51 0.26 -0.34 0.52 -0.04 -1.26 -4.89 135.00 129.76 1rkg n PRO 370 Ca 0.10 0.06 0.32 0.00 -0.04 0.00 0.00 63.50 63.94 1rkg n PRO 370 Cb 0.35 -1.64 0.67 0.00 -0.04 0.00 0.00 33.50 32.84 1rkg n PRO 370 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1rkg h GLY 371 N 4.57 0.44 1.48 0.55 0.00 -1.87 0.36 103.07 108.60 1rkg h GLY 371 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1rkg h GLY 371 CO 0.00 -0.07 0.00 -1.14 0.00 0.00 0.00 176.54 175.33 1rkg n SER 372 N -4.34 0.00 -4.62 0.19 3.41 -1.17 -4.73 113.62 102.36 1rkg n SER 372 Ca 0.26 -0.20 -0.46 0.00 -0.26 0.00 0.00 58.87 58.22 1rkg n SER 372 Cb 1.16 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.83 1rkg n SER 372 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1rkg n HIS 373 N -1.24 2.17 -2.65 7.33 -0.00 0.11 -1.98 115.22 118.96 1rkg n HIS 373 Ca 0.13 -0.08 -0.14 0.00 -0.00 0.00 0.00 57.72 57.64 1rkg n HIS 373 Cb 0.19 -2.69 -0.00 0.00 -0.00 0.00 0.00 29.99 27.48 1rkg n HIS 373 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1rkg n GLN 374 N 7.61 -2.59 -0.11 1.57 6.02 -1.26 -4.86 117.38 123.76 1rkg n GLN 374 Ca 0.27 0.54 -0.11 0.00 -0.01 0.00 0.00 57.00 57.69 1rkg n GLN 374 Cb 0.35 -5.16 -0.03 0.00 1.02 0.00 0.00 30.24 26.42 1rkg n GLN 374 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1rkg h LEU 375 N -0.24 0.58 -0.28 1.08 5.85 -1.69 -1.04 115.31 119.57 1rkg h LEU 375 Ca -0.31 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.11 1rkg h LEU 375 Cb 1.22 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1rkg h LEU 375 CO 0.37 0.75 0.18 0.22 -0.34 0.00 0.00 178.44 179.61 1rkg h TYR 376 N 0.39 0.33 -0.85 1.25 3.20 -1.89 -0.28 116.97 119.12 1rkg h TYR 376 Ca 0.09 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.03 1rkg h TYR 376 Cb 0.46 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.56 1rkg h TYR 376 CO 0.04 0.20 0.53 0.00 -1.64 0.00 0.00 178.16 177.29 1rkg h ALA 377 N 1.11 1.16 -0.42 1.82 0.00 -1.90 -0.72 119.26 120.31 1rkg h ALA 377 Ca 0.11 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1rkg h ALA 377 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1rkg h ALA 377 CO -0.03 0.29 -0.21 0.87 0.00 0.00 0.00 179.25 180.17 1rkg h LYS 378 N 0.98 0.84 -0.48 0.00 1.57 -0.66 -0.83 116.57 117.98 1rkg h LYS 378 Ca 0.36 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1rkg h LYS 378 Cb 0.14 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1rkg h LYS 378 CO -0.16 0.97 0.19 0.52 -0.57 0.00 0.00 179.45 180.39 1rkg h MET 379 N 0.73 0.73 -0.69 3.15 2.86 -0.43 -2.35 114.93 118.93 1rkg h MET 379 Ca 0.10 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 1rkg h MET 379 Cb 0.73 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 1rkg h MET 379 CO 0.06 0.66 0.15 0.82 1.06 0.00 0.00 176.91 179.66 1rkg h ILE 380 N 0.64 1.26 -0.84 -1.22 1.08 -0.96 -1.40 117.51 116.08 1rkg h ILE 380 Ca 0.16 -0.98 0.14 0.00 -0.39 0.00 0.00 64.86 63.78 1rkg h ILE 380 Cb 0.21 0.58 -0.06 0.00 -3.07 0.00 0.00 36.82 34.47 1rkg h ILE 380 CO -0.01 0.38 0.54 -0.61 -0.69 0.00 0.00 178.15 177.76 1rkg h GLN 381 N 1.04 0.60 -0.68 2.37 5.75 -1.02 -0.28 115.11 122.89 1rkg h GLN 381 Ca 0.21 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1rkg h GLN 381 Cb 0.39 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 1rkg h GLN 381 CO 0.00 0.40 0.40 0.87 -2.65 0.00 0.00 178.83 177.85 1rkg h LYS 382 N 0.62 0.93 -0.78 1.69 1.79 -0.70 -0.50 116.57 119.61 1rkg h LYS 382 Ca 0.41 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.75 1rkg h LYS 382 Cb 0.71 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 31.13 1rkg h LYS 382 CO -0.17 0.66 0.31 -0.07 -1.08 0.00 0.00 179.45 179.11 1rkg h LEU 383 N 0.94 1.07 -0.60 2.94 3.38 -0.87 -0.25 115.31 121.92 1rkg h LEU 383 Ca 0.25 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1rkg h LEU 383 Cb -0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1rkg h LEU 383 CO -0.04 0.95 0.33 0.00 0.09 0.00 0.00 178.44 179.76 1rkg h ALA 384 N 1.21 0.77 -0.81 1.53 0.00 -0.94 -2.54 119.26 118.48 1rkg h ALA 384 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1rkg h ALA 384 Cb 0.21 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1rkg h ALA 384 CO -0.02 0.29 0.52 -0.44 0.00 0.00 0.00 179.25 179.60 1rkg h ASP 385 N 0.82 0.94 -0.57 0.00 3.45 -0.63 -2.39 116.42 118.04 1rkg h ASP 385 Ca 0.21 -0.03 0.03 0.00 0.43 0.00 0.00 57.03 57.66 1rkg h ASP 385 Cb 0.04 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.54 1rkg h ASP 385 CO -0.03 0.69 0.38 -0.07 -1.57 0.00 0.00 179.24 178.64 1rkg h LEU 386 N 1.10 0.59 -0.83 1.55 3.38 -0.81 -2.00 115.31 118.30 1rkg h LEU 386 Ca 0.29 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.29 1rkg h LEU 386 Cb -0.11 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 1rkg h LEU 386 CO -0.06 0.42 0.53 0.03 0.09 0.00 0.00 178.44 179.44 1rkg h ARG 387 N 0.69 0.99 -0.38 1.13 2.47 -1.01 0.72 114.38 119.00 1rkg h ARG 387 Ca 0.23 -0.06 -0.11 0.00 -1.26 0.00 0.00 59.98 58.77 1rkg h ARG 387 Cb 0.05 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.13 1rkg h ARG 387 CO -0.06 0.65 -0.20 0.77 0.56 0.00 0.00 179.97 181.69 1rkg h SER 388 N 1.02 0.83 -0.75 7.04 0.02 -1.38 -1.53 113.55 118.80 1rkg h SER 388 Ca 0.33 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1rkg h SER 388 Cb 0.03 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 1rkg h SER 388 CO -0.12 1.06 0.45 -0.07 -1.14 0.00 0.00 176.83 177.01 1rkg h LEU 389 N 0.60 0.90 0.12 5.07 3.38 -1.21 -1.64 115.31 122.53 1rkg h LEU 389 Ca 0.08 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1rkg h LEU 389 Cb 0.76 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1rkg h LEU 389 CO 0.06 0.70 -0.10 -1.13 0.09 0.00 0.00 178.44 178.07 1rkg h ASN 390 N 1.02 -0.25 -0.59 -0.43 -0.73 -0.67 0.76 115.58 114.69 1rkg h ASN 390 Ca 0.27 0.02 0.04 0.00 1.87 0.00 0.00 56.30 58.50 1rkg h ASN 390 Cb -0.03 0.08 -0.04 0.00 0.27 0.00 0.00 38.32 38.60 1rkg h ASN 390 CO -0.05 -0.15 0.34 -0.33 -0.37 0.00 0.00 177.43 176.87 1rkg h GLU 391 N -0.23 0.65 -0.53 6.67 5.08 -1.16 0.71 114.58 125.78 1rkg h GLU 391 Ca -0.00 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1rkg h GLU 391 Cb 0.21 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1rkg h GLU 391 CO -0.01 0.43 -0.07 1.49 -1.00 0.00 0.00 179.01 179.84 1rkg h GLU 392 N 0.67 0.98 -0.60 2.33 4.57 -1.12 -1.76 114.58 119.66 1rkg h GLU 392 Ca 0.25 -0.35 0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1rkg h GLU 392 Cb 0.07 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1rkg h GLU 392 CO -0.13 1.02 0.39 1.25 -1.18 0.00 0.00 179.01 180.37 1rkg h HIS 393 N 0.85 0.75 -0.55 0.92 2.76 -0.42 -0.83 115.15 118.61 1rkg h HIS 393 Ca 0.14 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.38 1rkg h HIS 393 Cb 0.63 -0.25 -0.05 0.00 1.55 0.00 0.00 27.41 29.29 1rkg h HIS 393 CO 0.05 0.47 0.27 1.03 -1.30 0.00 0.00 177.93 178.44 1rkg h SER 394 N 0.80 0.37 -0.25 3.26 0.87 -0.70 0.36 113.55 118.27 1rkg h SER 394 Ca 0.22 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1rkg h SER 394 Cb -0.09 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1rkg h SER 394 CO -0.05 0.25 0.14 0.11 -0.53 0.00 0.00 176.83 176.75 1rkg h LYS 395 N 0.52 0.35 -0.18 2.24 1.57 -0.97 -0.58 116.57 119.51 1rkg h LYS 395 Ca 0.25 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.86 1rkg h LYS 395 Cb 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1rkg h LYS 395 CO -0.19 0.30 -0.46 1.96 -0.57 0.00 0.00 179.45 180.50 1rkg h GLN 396 N 0.30 0.44 -0.35 3.15 4.20 -0.86 -2.38 115.11 119.60 1rkg h GLN 396 Ca 0.09 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 1rkg h GLN 396 Cb 0.05 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1rkg h GLN 396 CO -0.02 0.81 0.09 -0.92 -0.67 0.00 0.00 178.83 178.12 1rkg h TYR 397 N 0.36 0.59 -0.73 2.96 3.20 -0.12 -0.15 116.97 123.08 1rkg h TYR 397 Ca 0.02 -0.07 0.10 0.00 3.14 0.00 0.00 58.73 61.92 1rkg h TYR 397 Cb 0.94 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.97 1rkg h TYR 397 CO 0.03 0.60 0.36 -0.09 -1.64 0.00 0.00 178.16 177.42 1rkg h ARG 398 N 0.42 0.58 -0.05 1.82 2.43 -0.93 0.15 114.38 118.80 1rkg h ARG 398 Ca 0.11 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1rkg h ARG 398 Cb 0.30 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1rkg h ARG 398 CO 0.00 0.39 -0.01 1.03 -1.51 0.00 0.00 179.97 179.87 1rkg h SER 399 N 0.60 0.09 -0.63 -3.80 0.87 -1.23 -2.34 113.55 107.10 1rkg h SER 399 Ca 0.37 -0.36 0.03 0.00 -1.23 0.00 0.00 61.79 60.60 1rkg h SER 399 Cb 0.41 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 1rkg h SER 399 CO -0.29 0.42 0.38 0.25 -0.53 0.00 0.00 176.83 177.07 1rkg h LEU 400 N -0.25 0.62 -0.06 2.23 6.46 -0.84 -3.13 115.31 120.35 1rkg h LEU 400 Ca 0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1rkg h LEU 400 Cb 0.39 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1rkg h LEU 400 CO 0.00 0.43 -0.31 -1.54 -0.62 0.00 0.00 178.44 176.40 1rkg n SER 401 N -4.73 0.40 -0.26 1.25 3.41 0.50 -3.66 113.62 110.52 1rkg n SER 401 Ca 0.06 -0.12 -0.05 0.00 -0.26 0.00 0.00 58.87 58.50 1rkg n SER 401 Cb 0.09 0.01 0.09 0.00 -0.26 0.00 0.00 64.21 64.14 1rkg n SER 401 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1rkg h PHE 402 N 0.14 1.15 -2.88 7.33 3.04 -1.36 -3.40 116.94 120.97 1rkg h PHE 402 Ca 0.00 -0.09 -0.56 0.00 3.98 0.00 0.00 57.97 61.30 1rkg h PHE 402 Cb 0.49 -0.35 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 1rkg h PHE 402 CO 0.00 0.88 1.04 -0.65 -2.02 0.00 0.00 178.31 177.56 1rkg s GLN 403 N -5.50 3.94 0.52 1.11 -1.52 -1.24 -4.93 119.66 112.05 1rkg s GLN 403 Ca -0.12 1.61 0.19 0.00 -1.95 0.00 0.00 55.36 55.09 1rkg s GLN 403 Cb 0.16 -3.94 1.31 0.00 -0.22 0.00 0.00 33.01 30.31 1rkg s GLN 403 CO 0.83 -1.10 2.10 -1.35 -0.25 0.00 0.00 175.29 175.52 1rkg h PRO 404 N 9.78 0.01 0.00 2.91 0.11 -1.90 -1.37 132.00 141.53 1rkg h PRO 404 Ca -0.31 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.76 1rkg h PRO 404 Cb 1.13 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1rkg h PRO 404 CO 1.00 0.00 -0.17 1.05 -0.21 0.00 0.00 178.00 179.67 1rkg h GLU 405 N 0.01 0.00 0.13 1.05 4.11 -1.93 -0.09 114.58 117.85 1rkg h GLU 405 Ca 0.09 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.18 1rkg h GLU 405 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1rkg h GLU 405 CO -0.00 0.17 -1.74 -0.91 0.07 0.00 0.00 179.01 176.60 1rkg h ASN 406 N 0.00 0.44 -0.67 3.06 2.35 -1.54 -3.33 115.58 115.89 1rkg h ASN 406 Ca -0.00 -0.73 0.02 0.00 -0.55 0.00 0.00 56.30 55.04 1rkg h ASN 406 Cb 0.40 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1rkg h ASN 406 CO 0.02 1.63 0.44 0.28 -1.65 0.00 0.00 177.43 178.16 1rkg h SER 407 N 0.08 0.73 -0.25 5.81 0.02 -1.18 -0.48 113.55 118.28 1rkg h SER 407 Ca -0.33 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 60.68 1rkg h SER 407 Cb 2.05 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 64.40 1rkg h SER 407 CO 0.14 0.52 0.20 -0.03 -1.14 0.00 0.00 176.83 176.52 1rkg h MET 408 N 0.86 0.00 -0.01 3.45 -1.53 -1.12 -2.11 114.93 114.47 1rkg h MET 408 Ca 0.26 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.52 1rkg h MET 408 Cb -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.03 1rkg h MET 408 CO -0.06 0.00 -0.14 1.63 0.14 0.00 0.00 176.91 178.47 1rkg n LYS 409 N -4.29 0.93 -0.77 0.39 4.76 -0.19 -4.90 118.16 114.09 1rkg n LYS 409 Ca 0.03 -0.45 -0.05 0.00 -2.87 0.00 0.00 58.31 54.97 1rkg n LYS 409 Cb 0.35 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 32.07 1rkg n LYS 409 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1rkg n LEU 410 N -0.64 0.00 -4.63 -0.35 4.77 -0.79 -4.53 117.00 110.83 1rkg n LEU 410 Ca 0.15 -0.35 -0.23 0.00 -0.03 0.00 0.00 56.01 55.54 1rkg n LEU 410 Cb 0.31 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.18 1rkg n LEU 410 CO 0.23 -0.62 -0.33 0.42 -1.33 0.00 0.00 177.39 175.76 1rkg s THR 411 N -0.77 3.19 0.23 -5.08 -4.23 -1.26 -5.02 115.64 102.69 1rkg s THR 411 Ca 0.13 -1.97 -0.07 0.00 -1.18 0.00 0.00 61.69 58.60 1rkg s THR 411 Cb -0.01 -2.78 0.20 0.00 1.34 0.00 0.00 72.50 71.26 1rkg s THR 411 CO 0.09 -0.34 1.87 -0.65 -0.54 0.00 0.00 174.62 175.05 1rkg h PRO 412 N 1.90 1.00 -0.53 3.99 0.11 -1.99 -1.90 132.00 134.58 1rkg h PRO 412 Ca -0.43 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1rkg h PRO 412 Cb 1.25 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1rkg h PRO 412 CO 0.61 0.66 0.13 1.25 -0.21 0.00 0.00 178.00 180.45 1rkg h LEU 413 N 1.03 0.80 -0.78 2.35 5.85 -1.97 -1.08 115.31 121.50 1rkg h LEU 413 Ca 0.35 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1rkg h LEU 413 Cb 0.05 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1rkg h LEU 413 CO -0.13 0.82 0.47 0.58 -0.34 0.00 0.00 178.44 179.85 1rkg h VAL 414 N 0.74 1.22 -0.66 1.05 2.07 -1.88 -0.06 116.25 118.73 1rkg h VAL 414 Ca 0.17 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 1rkg h VAL 414 Cb 0.34 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1rkg h VAL 414 CO 0.00 0.23 0.14 -0.07 0.02 0.00 0.00 177.57 177.89 1rkg h LEU 415 N 1.07 0.99 0.16 2.57 3.38 -1.10 -0.15 115.31 122.23 1rkg h LEU 415 Ca 0.28 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1rkg h LEU 415 Cb -0.04 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1rkg h LEU 415 CO -0.05 0.97 -0.08 -0.08 0.09 0.00 0.00 178.44 179.29 1rkg h GLU 416 N 0.99 -0.20 -0.32 1.13 4.81 -0.83 0.60 114.58 120.77 1rkg h GLU 416 Ca 0.21 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1rkg h GLU 416 Cb 0.38 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1rkg h GLU 416 CO 0.00 0.15 0.05 0.28 -0.73 0.00 0.00 179.01 178.76 1rkg h VAL 417 N -0.59 1.23 0.00 0.32 2.07 -1.00 -3.29 116.25 115.00 1rkg h VAL 417 Ca -0.02 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1rkg h VAL 417 Cb 0.45 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1rkg h VAL 417 CO 0.04 0.27 -0.92 -0.26 0.02 0.00 0.00 177.57 176.72 1rkg h PHE 418 N 0.36 0.00 0.00 1.57 0.05 -1.13 -3.47 116.94 114.31 1rkg h PHE 418 Ca 0.10 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.89 1rkg h PHE 418 Cb 0.35 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.30 1rkg h PHE 418 CO 0.02 0.05 0.00 0.41 -0.18 0.00 0.00 178.31 178.61 1rkg n GLY 419 N 1.19 3.93 1.06 -1.45 0.00 0.18 -4.97 105.19 105.13 1rkg n GLY 419 Ca -0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1rkg n GLY 419 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rkg n ASN 420 N 0.00 -1.58 0.00 1.61 4.13 -1.09 -4.59 115.26 113.74 1rkg n ASN 420 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1rkg n ASN 420 Cb 0.00 -0.40 0.00 0.00 -1.54 0.00 0.00 39.78 37.84 1rkg n ASN 420 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75