#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rkh s LEU 124 N 0.00 4.34 1.24 -0.35 1.43 -1.26 -5.05 118.68 119.03 1rkh s LEU 124 Ca 0.00 1.83 -0.17 0.00 -1.03 0.00 0.00 54.13 54.76 1rkh s LEU 124 Cb 0.00 -3.57 0.30 0.00 0.03 0.00 0.00 46.19 42.95 1rkh s LEU 124 CO 0.00 -0.44 1.02 -0.94 0.23 0.00 0.00 176.35 176.22 1rkh s SER 125 N 1.15 0.50 0.16 2.29 1.04 -1.26 -4.81 113.70 112.77 1rkh s SER 125 Ca 0.55 1.04 -0.03 0.00 0.48 0.00 0.00 55.95 58.00 1rkh s SER 125 Cb -0.25 -1.56 -0.00 0.00 0.10 0.00 0.00 66.02 64.31 1rkh s SER 125 CO 0.26 -4.43 1.39 -0.33 0.98 0.00 0.00 173.24 171.11 1rkh h GLU 126 N -2.78 0.41 -0.45 4.02 4.39 -1.99 -2.47 114.58 115.71 1rkh h GLU 126 Ca -0.52 -0.37 0.01 0.00 0.34 0.00 0.00 59.36 58.82 1rkh h GLU 126 Cb 1.33 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.04 1rkh h GLU 126 CO 0.41 1.02 0.29 1.49 -1.16 0.00 0.00 179.01 181.06 1rkh h GLU 127 N 0.27 0.57 -0.86 2.33 4.81 -1.99 -0.43 114.58 119.28 1rkh h GLU 127 Ca -0.05 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1rkh h GLU 127 Cb 1.40 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.61 1rkh h GLU 127 CO 0.14 0.38 0.43 1.96 -0.73 0.00 0.00 179.01 181.18 1rkh h GLN 128 N 0.59 1.23 -0.43 1.92 4.20 -1.91 0.73 115.11 121.45 1rkh h GLN 128 Ca 0.17 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1rkh h GLN 128 Cb -0.05 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 1rkh h GLN 128 CO -0.05 0.93 -0.12 1.96 -0.67 0.00 0.00 178.83 180.89 1rkh h GLN 129 N 1.22 0.78 0.33 1.46 4.20 -1.17 -2.06 115.11 119.88 1rkh h GLN 129 Ca 0.30 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1rkh h GLN 129 Cb 0.10 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1rkh h GLN 129 CO -0.04 0.87 -0.18 1.25 -0.67 0.00 0.00 178.83 180.06 1rkh h HIS 130 N 0.70 -0.46 -0.73 2.96 2.76 -0.48 -0.24 115.15 119.65 1rkh h HIS 130 Ca 0.12 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.36 1rkh h HIS 130 Cb 0.60 0.16 -0.07 0.00 1.55 0.00 0.00 27.41 29.66 1rkh h HIS 130 CO 0.03 -0.28 0.40 0.82 -1.30 0.00 0.00 177.93 177.59 1rkh h ILE 131 N -0.48 0.90 0.11 6.26 2.04 -0.74 0.10 117.51 125.72 1rkh h ILE 131 Ca -0.04 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1rkh h ILE 131 Cb 0.38 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1rkh h ILE 131 CO 0.06 0.13 -0.06 0.40 0.00 0.00 0.00 178.15 178.68 1rkh h ILE 132 N 0.69 0.98 -0.80 -0.67 2.04 -1.21 -1.21 117.51 117.32 1rkh h ILE 132 Ca 0.35 -0.35 0.08 0.00 1.00 0.00 0.00 64.86 65.94 1rkh h ILE 132 Cb 0.31 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 1rkh h ILE 132 CO -0.24 0.09 0.46 0.00 0.00 0.00 0.00 178.15 178.46 1rkh h ALA 133 N 0.55 1.12 -0.60 1.87 0.00 -0.59 -0.70 119.26 120.91 1rkh h ALA 133 Ca -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1rkh h ALA 133 Cb 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1rkh h ALA 133 CO 0.03 0.10 0.30 0.82 0.00 0.00 0.00 179.25 180.50 1rkh h ILE 134 N 0.79 1.21 -0.17 0.00 2.04 -0.55 -2.09 117.51 118.75 1rkh h ILE 134 Ca 0.38 -0.58 -0.22 0.00 1.00 0.00 0.00 64.86 65.43 1rkh h ILE 134 Cb 0.31 0.48 0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1rkh h ILE 134 CO -0.23 0.24 -0.76 -0.07 0.00 0.00 0.00 178.15 177.33 1rkh h LEU 135 N 0.82 0.96 -0.20 1.44 3.38 -0.74 0.70 115.31 121.68 1rkh h LEU 135 Ca 0.21 -0.62 0.04 0.00 0.09 0.00 0.00 57.88 57.60 1rkh h LEU 135 Cb 0.11 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1rkh h LEU 135 CO -0.03 1.42 -0.05 -0.07 0.09 0.00 0.00 178.44 179.80 1rkh h LEU 136 N 0.56 -0.20 -0.34 1.67 3.38 -1.15 -0.53 115.31 118.70 1rkh h LEU 136 Ca -0.05 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1rkh h LEU 136 Cb 1.39 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 1rkh h LEU 136 CO 0.16 -0.07 0.13 -0.78 0.09 0.00 0.00 178.44 177.97 1rkh h ASP 137 N -0.01 0.47 -0.98 -0.43 1.82 -1.27 -1.01 116.42 115.01 1rkh h ASP 137 Ca 0.10 -0.17 0.08 0.00 -0.39 0.00 0.00 57.03 56.65 1rkh h ASP 137 Cb 0.15 -0.12 -0.07 0.00 0.68 0.00 0.00 39.33 39.97 1rkh h ASP 137 CO -0.21 0.51 0.63 0.00 -1.61 0.00 0.00 179.24 178.56 1rkh h ALA 138 N 0.98 1.39 -0.18 -0.78 0.00 -0.59 -0.65 119.26 119.43 1rkh h ALA 138 Ca 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1rkh h ALA 138 Cb 0.19 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1rkh h ALA 138 CO -0.01 0.36 -0.09 1.25 0.00 0.00 0.00 179.25 180.76 1rkh h HIS 139 N 1.10 0.44 -0.81 0.00 -0.00 -0.95 -2.59 115.15 112.34 1rkh h HIS 139 Ca 0.44 -0.11 0.11 0.00 -0.00 0.00 0.00 60.37 60.81 1rkh h HIS 139 Cb 0.25 -0.10 -0.06 0.00 -0.00 0.00 0.00 27.41 27.50 1rkh h HIS 139 CO -0.01 0.69 0.53 0.45 -0.00 0.00 0.00 177.93 179.59 1rkh h HIS 140 N 0.07 0.77 0.00 5.26 3.86 -0.60 0.52 115.15 125.03 1rkh h HIS 140 Ca 0.04 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1rkh h HIS 140 Cb 0.58 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1rkh h HIS 140 CO 0.07 0.34 0.00 0.87 0.86 0.00 0.00 177.93 180.07 1rkh h LYS 141 N 0.70 0.00 -0.00 2.45 1.57 -1.06 -3.31 116.57 116.91 1rkh h LYS 141 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1rkh h LYS 141 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1rkh h LYS 141 CO -0.15 0.00 -0.05 0.25 -0.57 0.00 0.00 179.45 178.92 1rkh n THR 142 N -2.66 0.00 -3.92 -0.16 -2.24 -0.62 -4.92 114.28 99.76 1rkh n THR 142 Ca 0.05 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 61.05 1rkh n THR 142 Cb 0.47 1.03 -0.15 0.00 -2.10 0.00 0.00 70.33 69.58 1rkh n THR 142 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1rkh s TYR 143 N -0.69 2.62 -0.52 4.78 6.14 0.17 -4.85 117.35 125.01 1rkh s TYR 143 Ca 0.02 -2.08 -0.22 0.00 0.64 0.00 0.00 57.07 55.44 1rkh s TYR 143 Cb 0.02 -1.95 0.05 0.00 0.42 0.00 0.00 41.96 40.50 1rkh s TYR 143 CO 0.07 -0.84 0.78 0.34 0.64 0.00 0.00 175.55 176.53 1rkh s ASP 144 N 1.31 6.28 0.00 4.32 2.15 -1.26 -4.69 116.67 124.78 1rkh s ASP 144 Ca 0.01 -0.61 0.21 0.00 0.43 0.00 0.00 52.55 52.59 1rkh s ASP 144 Cb -0.19 -2.36 1.04 0.00 -0.30 0.00 0.00 42.92 41.11 1rkh s ASP 144 CO -0.10 -1.05 1.67 -0.81 -0.17 0.00 0.00 175.17 174.71 1rkh n PRO 145 N 6.79 0.26 0.03 4.34 -0.05 -1.26 -1.58 135.00 143.52 1rkh n PRO 145 Ca -0.02 0.09 0.12 0.00 -0.05 0.00 0.00 63.50 63.64 1rkh n PRO 145 Cb 0.46 -1.50 0.23 0.00 -0.05 0.00 0.00 33.50 32.64 1rkh n PRO 145 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 1rkh n THR 146 N -1.32 0.16 -2.36 0.52 -2.24 -1.26 -4.95 114.28 102.84 1rkh n THR 146 Ca 0.09 -0.13 -0.21 0.00 -2.27 0.00 0.00 64.05 61.53 1rkh n THR 146 Cb 0.18 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.43 1rkh n THR 146 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1rkh n TYR 147 N -1.79 -0.95 0.26 4.78 4.02 -0.62 -4.85 117.16 118.01 1rkh n TYR 147 Ca 0.04 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.03 1rkh n TYR 147 Cb 0.39 -3.96 0.68 0.00 -0.02 0.00 0.00 39.34 36.43 1rkh n TYR 147 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rkh h ALA 148 N 0.94 1.67 0.00 -0.72 0.00 -1.93 -1.35 119.26 117.87 1rkh h ALA 148 Ca -0.49 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1rkh h ALA 148 Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1rkh h ALA 148 CO 0.59 0.10 0.00 -0.25 0.00 0.00 0.00 179.25 179.69 1rkh n ASP 149 N -4.16 0.38 0.34 0.00 8.00 -1.26 -3.43 116.55 116.42 1rkh n ASP 149 Ca -0.03 0.57 0.22 0.00 0.71 0.00 0.00 54.79 56.27 1rkh n ASP 149 Cb 0.16 -0.66 1.19 0.00 -0.02 0.00 0.00 41.12 41.79 1rkh n ASP 149 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1rkh h PHE 150 N 0.00 0.00 0.00 1.24 -1.00 -1.63 -1.67 116.94 113.89 1rkh h PHE 150 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1rkh h PHE 150 Cb 0.42 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 1rkh h PHE 150 CO 0.00 0.00 -0.04 0.00 -1.61 0.00 0.00 178.31 176.66 1rkh h ARG 151 N 0.00 0.00 0.00 1.51 -0.00 -1.79 -2.69 114.38 111.40 1rkh h ARG 151 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1rkh h ARG 151 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.98 1rkh h ARG 151 CO -0.00 0.04 -0.09 -0.25 0.00 0.00 0.00 179.97 179.67 1rkh n ASP 152 N -4.12 0.23 -4.82 7.04 8.00 -0.63 -4.88 116.55 117.36 1rkh n ASP 152 Ca -0.03 0.39 -0.33 0.00 0.71 0.00 0.00 54.79 55.54 1rkh n ASP 152 Cb 0.13 -0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 40.77 1rkh n ASP 152 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1rkh s PHE 153 N -3.02 3.29 0.20 1.24 2.99 -1.02 -4.99 117.98 116.67 1rkh s PHE 153 Ca 0.13 1.53 -0.32 0.00 0.00 0.00 0.00 56.93 58.27 1rkh s PHE 153 Cb 0.18 -2.87 -0.15 0.00 0.00 0.00 0.00 43.02 40.18 1rkh s PHE 153 CO 0.57 -0.44 1.29 0.54 -0.00 0.00 0.00 175.22 177.19 1rkh n ARG 154 N -1.26 1.61 -1.84 0.44 1.74 -1.26 -4.88 116.66 111.21 1rkh n ARG 154 Ca 0.07 0.57 -0.36 0.00 -0.77 0.00 0.00 57.85 57.37 1rkh n ARG 154 Cb 0.54 -2.16 0.05 0.00 -1.02 0.00 0.00 32.46 29.87 1rkh n ARG 154 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1rkh s PRO 155 N -0.35 2.72 0.21 5.56 0.04 -1.26 -3.82 135.00 138.09 1rkh s PRO 155 Ca 0.71 1.87 -0.30 0.00 0.04 0.00 0.00 61.00 63.32 1rkh s PRO 155 Cb -0.75 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 31.81 1rkh s PRO 155 CO 0.51 -1.42 1.18 -1.25 0.04 0.00 0.00 177.00 176.06 1rkh s PRO 156 N -3.46 4.51 -0.13 0.56 0.04 -1.26 -4.23 135.00 131.03 1rkh s PRO 156 Ca 0.78 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.73 1rkh s PRO 156 Cb -0.32 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.01 1rkh s PRO 156 CO 0.37 -0.03 -0.22 0.08 0.04 0.00 0.00 177.00 177.24 1rkh s VAL 157 N -0.34 2.03 -0.13 -0.36 1.01 -1.22 -5.08 120.40 116.31 1rkh s VAL 157 Ca 0.51 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1rkh s VAL 157 Cb -0.33 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.27 1rkh s VAL 157 CO 0.38 0.55 -0.15 -0.13 0.00 0.00 0.00 175.10 175.75 1rkh s ARG 158 N 0.77 2.32 0.00 2.72 0.52 -1.26 -3.83 118.95 120.18 1rkh s ARG 158 Ca -0.08 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 1rkh s ARG 158 Cb -0.16 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.30 1rkh s ARG 158 CO -0.01 -0.12 0.00 0.00 0.02 0.00 0.00 175.30 175.19 1rkh n MET 159 N 4.40 0.00 0.00 3.54 0.00 -1.26 -5.18 117.12 118.62 1rkh n MET 159 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.52 1rkh n MET 159 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 33.22 33.58 1rkh n MET 159 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1rkh n SER 218 N 0.00 0.00 0.25 3.17 7.64 -1.26 -5.29 113.62 118.13 1rkh n SER 218 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.99 1rkh n SER 218 Cb 0.00 0.00 0.67 0.00 -1.01 0.00 0.00 64.21 63.87 1rkh n SER 218 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1rkh h PRO 219 N 0.00 0.00 -4.53 1.43 0.11 -2.02 -3.47 132.00 123.52 1rkh h PRO 219 Ca 0.00 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.91 1rkh h PRO 219 Cb 0.00 0.00 0.12 0.00 0.11 0.00 0.00 31.00 31.23 1rkh h PRO 219 CO 0.00 0.14 -0.54 1.28 -0.21 0.00 0.00 178.00 178.67 1rkh n LEU 220 N -3.79 -3.85 0.17 2.35 4.77 -1.26 -4.95 117.00 110.43 1rkh n LEU 220 Ca -0.02 -0.44 0.13 0.00 -0.03 0.00 0.00 56.01 55.65 1rkh n LEU 220 Cb 0.25 -2.29 0.54 0.00 -2.33 0.00 0.00 43.42 39.59 1rkh n LEU 220 CO 0.32 0.17 0.89 0.77 -1.33 0.00 0.00 177.39 178.21 1rkh h SER 221 N -1.02 0.00 0.02 -1.43 4.64 -1.78 -2.39 113.55 111.59 1rkh h SER 221 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1rkh h SER 221 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1rkh h SER 221 CO 0.32 0.00 -0.52 0.23 -0.87 0.00 0.00 176.83 175.99 1rkh n MET 222 N -2.46 1.01 -0.18 4.77 2.81 -0.01 -3.44 117.12 119.63 1rkh n MET 222 Ca 0.02 -0.82 -0.07 0.00 -1.81 0.00 0.00 57.70 55.02 1rkh n MET 222 Cb 0.25 -1.48 0.02 0.00 -0.71 0.00 0.00 33.22 31.30 1rkh n MET 222 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1rkh h LEU 223 N 1.99 0.63 -0.31 4.03 5.85 -1.21 -1.43 115.31 124.88 1rkh h LEU 223 Ca 0.00 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1rkh h LEU 223 Cb 0.70 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1rkh h LEU 223 CO 0.00 0.51 0.16 -0.65 -0.34 0.00 0.00 178.44 178.12 1rkh h PRO 224 N 0.70 0.44 -0.03 5.25 0.11 -1.80 0.11 132.00 136.78 1rkh h PRO 224 Ca 0.19 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 1rkh h PRO 224 Cb 0.00 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 1rkh h PRO 224 CO -0.03 0.39 0.01 1.25 -0.21 0.00 0.00 178.00 179.41 1rkh h HIS 225 N 0.37 0.04 -0.13 0.65 -0.00 -1.65 -2.56 115.15 111.86 1rkh h HIS 225 Ca 0.11 -0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.32 1rkh h HIS 225 Cb 0.09 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 1rkh h HIS 225 CO -0.02 0.10 -0.59 -0.07 -0.00 0.00 0.00 177.93 177.35 1rkh h LEU 226 N -0.04 0.47 -0.51 0.26 3.38 -1.31 -1.43 115.31 116.13 1rkh h LEU 226 Ca 0.01 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 57.79 1rkh h LEU 226 Cb 0.08 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 1rkh h LEU 226 CO -0.00 0.95 0.15 0.00 0.09 0.00 0.00 178.44 179.63 1rkh h ALA 227 N 1.06 0.60 -0.63 1.53 0.00 -0.98 0.90 119.26 121.74 1rkh h ALA 227 Ca -0.00 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1rkh h ALA 227 Cb 1.12 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1rkh h ALA 227 CO 0.10 -0.25 0.12 -0.44 0.00 0.00 0.00 179.25 178.78 1rkh h ASP 228 N 0.31 0.98 -0.25 0.00 3.45 -1.31 -0.83 116.42 118.77 1rkh h ASP 228 Ca 0.25 -0.25 0.02 0.00 0.43 0.00 0.00 57.03 57.48 1rkh h ASP 228 Cb 0.30 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.78 1rkh h ASP 228 CO -0.28 0.98 0.11 0.25 -1.57 0.00 0.00 179.24 178.73 1rkh h LEU 229 N 0.94 0.15 -0.66 1.55 5.85 -0.82 -0.07 115.31 122.24 1rkh h LEU 229 Ca 0.19 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 1rkh h LEU 229 Cb 0.41 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1rkh h LEU 229 CO 0.01 0.12 0.07 0.58 -0.34 0.00 0.00 178.44 178.88 1rkh h VAL 230 N 0.24 1.27 0.20 1.05 2.07 -0.77 -1.37 116.25 118.93 1rkh h VAL 230 Ca 0.11 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1rkh h VAL 230 Cb 0.05 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1rkh h VAL 230 CO -0.09 0.40 -0.10 -1.28 0.02 0.00 0.00 177.57 176.53 1rkh h SER 231 N 1.03 -0.23 -0.63 0.57 0.87 -0.96 0.20 113.55 114.39 1rkh h SER 231 Ca 0.19 -0.07 0.13 0.00 -1.23 0.00 0.00 61.79 60.82 1rkh h SER 231 Cb 0.49 0.06 -0.10 0.00 -0.44 0.00 0.00 62.40 62.41 1rkh h SER 231 CO 0.02 -0.08 0.07 0.22 -0.53 0.00 0.00 176.83 176.54 1rkh h TYR 232 N -0.37 0.09 -0.28 2.24 3.20 -1.05 -2.62 116.97 118.19 1rkh h TYR 232 Ca -0.03 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1rkh h TYR 232 Cb 0.28 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1rkh h TYR 232 CO -0.04 -0.11 -0.06 0.77 -1.64 0.00 0.00 178.16 177.08 1rkh h SER 233 N 0.19 0.41 -0.39 -2.11 0.02 -0.69 -2.39 113.55 108.60 1rkh h SER 233 Ca 0.34 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1rkh h SER 233 Cb 0.54 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1rkh h SER 233 CO -0.48 0.53 0.21 0.40 -1.14 0.00 0.00 176.83 176.35 1rkh h ILE 234 N 0.42 1.15 -0.85 3.27 2.04 -0.26 0.37 117.51 123.64 1rkh h ILE 234 Ca 0.09 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.60 1rkh h ILE 234 Cb 0.38 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 1rkh h ILE 234 CO 0.02 0.15 0.54 1.56 0.00 0.00 0.00 178.15 180.42 1rkh h GLN 235 N 0.50 0.99 -0.32 2.37 4.20 -1.14 0.27 115.11 121.96 1rkh h GLN 235 Ca 0.14 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.64 1rkh h GLN 235 Cb 0.06 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 1rkh h GLN 235 CO -0.02 0.65 -0.38 0.87 -0.67 0.00 0.00 178.83 179.28 1rkh h LYS 236 N 1.02 0.83 -0.68 1.46 1.79 -1.22 -1.70 116.57 118.06 1rkh h LYS 236 Ca 0.35 -0.46 0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1rkh h LYS 236 Cb 0.08 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.70 1rkh h LYS 236 CO -0.14 1.10 0.39 0.28 -1.08 0.00 0.00 179.45 180.00 1rkh h VAL 237 N 0.61 1.00 -0.24 0.50 2.07 -0.36 -1.07 116.25 118.76 1rkh h VAL 237 Ca 0.04 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1rkh h VAL 237 Cb 0.97 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1rkh h VAL 237 CO 0.09 0.13 0.13 0.40 0.02 0.00 0.00 177.57 178.35 1rkh h ILE 238 N 0.74 1.11 -0.84 4.57 2.04 -0.76 0.29 117.51 124.65 1rkh h ILE 238 Ca 0.30 -0.29 0.11 0.00 1.00 0.00 0.00 64.86 65.98 1rkh h ILE 238 Cb 0.15 0.87 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 1rkh h ILE 238 CO -0.17 0.11 0.47 1.23 0.00 0.00 0.00 178.15 179.80 1rkh h GLY 239 N 0.28 1.33 0.82 5.37 0.00 -1.02 -1.07 103.07 108.78 1rkh h GLY 239 Ca 0.09 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 1rkh h GLY 239 CO -0.01 0.09 -0.16 -2.75 0.00 0.00 0.00 176.54 173.70 1rkh h PHE 240 N 0.76 0.55 -0.91 5.60 3.57 -0.93 -3.26 116.94 122.32 1rkh h PHE 240 Ca 0.42 -0.15 0.06 0.00 3.53 0.00 0.00 57.97 61.82 1rkh h PHE 240 Cb 0.45 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 1rkh h PHE 240 CO -0.06 0.80 0.60 0.00 -2.23 0.00 0.00 178.31 177.41 1rkh h ALA 241 N 0.66 1.48 0.00 2.41 0.00 -0.40 -2.40 119.26 121.02 1rkh h ALA 241 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1rkh h ALA 241 Cb 0.69 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1rkh h ALA 241 CO 0.04 0.40 -0.17 0.87 0.00 0.00 0.00 179.25 180.39 1rkh h LYS 242 N 1.07 0.00 -0.00 0.00 1.57 -1.25 -2.44 116.57 115.52 1rkh h LYS 242 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1rkh h LYS 242 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1rkh h LYS 242 CO -0.14 0.17 -0.36 -1.33 -0.57 0.00 0.00 179.45 177.23 1rkh n MET 243 N -4.08 0.12 -1.66 3.15 2.81 -0.91 -4.57 117.12 111.98 1rkh n MET 243 Ca -0.02 -0.06 -0.44 0.00 -1.81 0.00 0.00 57.70 55.37 1rkh n MET 243 Cb 0.25 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.22 1rkh n MET 243 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1rkh n ILE 244 N -1.39 0.71 -1.68 2.02 5.41 -0.92 -4.85 119.36 118.66 1rkh n ILE 244 Ca 0.07 -0.14 -0.52 0.00 1.00 0.00 0.00 62.75 63.16 1rkh n ILE 244 Cb 0.33 -2.22 -0.06 0.00 -0.71 0.00 0.00 39.64 36.99 1rkh n ILE 244 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1rkh n PRO 245 N 7.37 1.66 0.00 0.38 -0.02 -1.26 -1.02 135.00 142.11 1rkh n PRO 245 Ca 0.21 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1rkh n PRO 245 Cb 0.38 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1rkh n PRO 245 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rkh n GLY 246 N 3.98 3.27 0.38 -1.23 0.00 -1.26 -4.94 105.19 105.39 1rkh n GLY 246 Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.25 1rkh n GLY 246 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1rkh h PHE 247 N 0.00 1.24 0.00 1.61 3.57 -1.40 -1.85 116.94 120.11 1rkh h PHE 247 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1rkh h PHE 247 Cb 0.00 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.33 1rkh h PHE 247 CO 0.00 0.73 0.00 0.07 -2.23 0.00 0.00 178.31 176.88 1rkh h ARG 248 N 1.29 0.00 -0.00 1.11 0.11 -1.80 -2.81 114.38 112.27 1rkh h ARG 248 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 1rkh h ARG 248 Cb -0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.05 1rkh h ARG 248 CO -0.12 0.00 -0.12 -0.25 0.10 0.00 0.00 179.97 179.58 1rkh n ASP 249 N -2.98 0.28 -4.85 0.08 8.00 -0.69 -4.85 116.55 111.54 1rkh n ASP 249 Ca -0.02 -0.19 -0.32 0.00 0.71 0.00 0.00 54.79 54.97 1rkh n ASP 249 Cb 0.14 -0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 1rkh n ASP 249 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rkh s LEU 250 N -2.69 3.50 0.77 0.64 1.43 -1.06 -5.06 118.68 116.21 1rkh s LEU 250 Ca 0.23 1.49 -0.12 0.00 -1.03 0.00 0.00 54.13 54.70 1rkh s LEU 250 Cb 0.19 -4.46 0.06 0.00 0.03 0.00 0.00 46.19 42.01 1rkh s LEU 250 CO 0.52 -0.67 1.12 0.42 0.23 0.00 0.00 176.35 177.96 1rkh s THR 251 N -2.80 2.95 0.35 5.49 -4.23 -1.26 -4.84 115.64 111.30 1rkh s THR 251 Ca 0.57 0.35 0.05 0.00 -1.18 0.00 0.00 61.69 61.49 1rkh s THR 251 Cb -0.10 -2.76 0.17 0.00 1.34 0.00 0.00 72.50 71.15 1rkh s THR 251 CO 0.39 -0.36 1.90 0.77 -0.54 0.00 0.00 174.62 176.78 1rkh h SER 252 N -0.95 0.44 -0.24 3.99 4.64 -1.96 -0.70 113.55 118.78 1rkh h SER 252 Ca -0.45 -0.08 0.03 0.00 -0.47 0.00 0.00 61.79 60.83 1rkh h SER 252 Cb 1.25 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 1rkh h SER 252 CO 0.50 0.51 0.05 0.44 -0.87 0.00 0.00 176.83 177.46 1rkh h ASP 253 N 0.46 0.02 -0.49 4.97 5.19 -1.99 -0.04 116.42 124.54 1rkh h ASP 253 Ca 0.10 0.04 -0.13 0.00 -0.62 0.00 0.00 57.03 56.42 1rkh h ASP 253 Cb 0.30 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1rkh h ASP 253 CO 0.01 0.04 -0.19 0.44 -3.12 0.00 0.00 179.24 176.42 1rkh h ASP 254 N 0.14 1.03 -0.77 6.45 3.45 -1.88 -1.13 116.42 123.71 1rkh h ASP 254 Ca 0.11 -0.38 0.13 0.00 0.43 0.00 0.00 57.03 57.32 1rkh h ASP 254 Cb 0.10 -0.28 -0.09 0.00 -0.56 0.00 0.00 39.33 38.50 1rkh h ASP 254 CO -0.14 1.18 0.35 1.56 -1.57 0.00 0.00 179.24 180.61 1rkh h GLN 255 N 0.87 0.51 -0.34 3.56 4.20 -0.96 -0.89 115.11 122.06 1rkh h GLN 255 Ca 0.12 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 1rkh h GLN 255 Cb 0.77 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1rkh h GLN 255 CO 0.06 0.34 0.07 0.82 -0.67 0.00 0.00 178.83 179.45 1rkh h ILE 256 N 0.53 1.23 -0.07 2.54 2.04 -0.45 -1.78 117.51 121.54 1rkh h ILE 256 Ca 0.41 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1rkh h ILE 256 Cb 0.57 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1rkh h ILE 256 CO -0.36 0.26 0.04 0.58 0.00 0.00 0.00 178.15 178.68 1rkh h VAL 257 N 0.40 1.07 -0.71 1.67 2.07 -0.85 -0.12 116.25 119.79 1rkh h VAL 257 Ca 0.11 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1rkh h VAL 257 Cb 0.32 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1rkh h VAL 257 CO 0.00 0.06 0.45 -0.07 0.02 0.00 0.00 177.57 178.03 1rkh h LEU 258 N 0.04 0.83 -0.19 2.57 3.38 -1.16 -1.75 115.31 119.03 1rkh h LEU 258 Ca 0.03 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1rkh h LEU 258 Cb 0.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1rkh h LEU 258 CO -0.00 0.63 -0.49 -0.07 0.09 0.00 0.00 178.44 178.59 1rkh h LEU 259 N 0.96 0.75 -0.29 1.67 3.38 -1.14 -1.78 115.31 118.86 1rkh h LEU 259 Ca 0.26 -0.58 0.03 0.00 0.09 0.00 0.00 57.88 57.67 1rkh h LEU 259 Cb -0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1rkh h LEU 259 CO -0.05 1.19 0.12 0.50 0.09 0.00 0.00 178.44 180.29 1rkh h LYS 260 N 0.34 0.25 0.00 1.13 3.64 -0.90 -1.42 116.57 119.61 1rkh h LYS 260 Ca -0.01 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.21 1rkh h LYS 260 Cb 1.10 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1rkh h LYS 260 CO 0.11 0.17 -0.69 0.66 -2.27 0.00 0.00 179.45 177.43 1rkh h SER 261 N 0.26 0.00 0.48 4.20 4.64 -1.36 -3.37 113.55 118.40 1rkh h SER 261 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1rkh h SER 261 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1rkh h SER 261 CO -0.11 0.69 -1.51 -1.54 -0.87 0.00 0.00 176.83 173.48 1rkh n SER 262 N -3.41 0.41 -0.10 4.97 3.41 -0.67 -4.61 113.62 113.62 1rkh n SER 262 Ca 0.00 0.16 -0.06 0.00 -0.26 0.00 0.00 58.87 58.72 1rkh n SER 262 Cb 0.76 1.24 0.01 0.00 -0.26 0.00 0.00 64.21 65.96 1rkh n SER 262 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rkh h ALA 263 N 2.00 0.18 -0.75 7.33 0.00 -1.42 0.06 119.26 126.65 1rkh h ALA 263 Ca 0.00 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1rkh h ALA 263 Cb 1.00 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 1rkh h ALA 263 CO 0.00 -0.50 0.45 0.97 0.00 0.00 0.00 179.25 180.17 1rkh h ILE 264 N -0.06 1.02 -0.32 0.00 6.09 -1.85 -0.95 117.51 121.44 1rkh h ILE 264 Ca 0.18 -0.29 -0.01 0.00 -1.37 0.00 0.00 64.86 63.38 1rkh h ILE 264 Cb 0.33 0.11 -0.01 0.00 0.47 0.00 0.00 36.82 37.72 1rkh h ILE 264 CO -0.41 0.15 0.17 -0.33 -3.07 0.00 0.00 178.15 174.66 1rkh h GLU 265 N 0.83 0.44 0.00 2.19 5.08 -1.33 -1.74 114.58 120.05 1rkh h GLU 265 Ca 0.33 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 1rkh h GLU 265 Cb 0.16 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1rkh h GLU 265 CO -0.17 0.38 -0.31 0.28 -1.00 0.00 0.00 179.01 178.19 1rkh h VAL 266 N 0.39 0.93 -0.29 3.13 2.07 -0.87 -0.97 116.25 120.63 1rkh h VAL 266 Ca 0.11 -1.21 -0.12 0.00 0.82 0.00 0.00 66.70 66.30 1rkh h VAL 266 Cb 0.07 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1rkh h VAL 266 CO -0.02 0.31 -0.29 0.40 0.02 0.00 0.00 177.57 177.99 1rkh h ILE 267 N 0.00 1.30 -0.59 4.57 2.04 -0.93 0.22 117.51 124.12 1rkh h ILE 267 Ca -0.00 -1.45 -0.05 0.00 1.00 0.00 0.00 64.86 64.35 1rkh h ILE 267 Cb 0.69 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1rkh h ILE 267 CO 0.04 0.47 0.17 0.24 0.00 0.00 0.00 178.15 179.07 1rkh h MET 268 N 0.46 0.92 0.52 2.37 2.86 -1.10 0.10 114.93 121.06 1rkh h MET 268 Ca 0.05 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1rkh h MET 268 Cb 0.86 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.39 1rkh h MET 268 CO 0.07 0.84 -0.25 1.25 1.06 0.00 0.00 176.91 179.88 1rkh h LEU 269 N 0.83 -0.59 -2.19 1.22 6.46 -1.14 -3.12 115.31 116.78 1rkh h LEU 269 Ca 0.19 -0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.91 1rkh h LEU 269 Cb 0.31 0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1rkh h LEU 269 CO -0.00 -0.27 0.06 0.08 -0.62 0.00 0.00 178.44 177.69 1rkh h ARG 270 N -0.94 0.00 0.00 1.25 0.11 -0.53 -1.51 114.38 112.76 1rkh h ARG 270 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 1rkh h ARG 270 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.69 1rkh h ARG 270 CO 0.12 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.85 1rkh h SER 271 N 0.00 0.00 -0.43 0.08 4.64 -0.91 -2.60 113.55 114.33 1rkh h SER 271 Ca 0.03 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.48 1rkh h SER 271 Cb 0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1rkh h SER 271 CO -0.00 0.00 0.44 -1.13 -0.87 0.00 0.00 176.83 175.27 1rkh h ASN 272 N 0.00 0.00 -0.15 4.97 -0.00 -1.28 -1.09 115.58 118.03 1rkh h ASN 272 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 56.19 1rkh h ASN 272 Cb 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.64 1rkh h ASN 272 CO 0.00 0.00 -0.25 -0.61 -0.00 0.00 0.00 177.43 176.57 1rkh h GLN 273 N 0.00 0.60 0.00 6.67 4.15 -1.67 -2.81 115.11 122.05 1rkh h GLN 273 Ca 0.21 -0.24 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1rkh h GLN 273 Cb 1.09 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.74 1rkh h GLN 273 CO -0.00 0.80 -0.75 0.66 -1.93 0.00 0.00 178.83 177.61 1rkh h SER 274 N 0.53 0.00 -3.93 -0.69 4.64 -1.45 -3.47 113.55 109.17 1rkh h SER 274 Ca 0.07 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.86 1rkh h SER 274 Cb 0.71 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.90 1rkh h SER 274 CO 0.05 0.14 0.74 0.12 -0.87 0.00 0.00 176.83 177.01 1rkh s PHE 275 N -3.21 2.71 -0.02 4.77 5.36 -0.69 -0.90 117.98 126.00 1rkh s PHE 275 Ca 0.02 1.24 0.02 0.00 -0.96 0.00 0.00 56.93 57.25 1rkh s PHE 275 Cb 0.08 -3.92 0.00 0.00 -0.34 0.00 0.00 43.02 38.84 1rkh s PHE 275 CO 0.76 -2.67 -0.07 -0.08 -1.46 0.00 0.00 175.22 171.70 1rkh s THR 276 N -1.13 0.58 -0.61 0.12 -1.32 0.52 -4.88 115.64 108.91 1rkh s THR 276 Ca 0.52 -0.26 0.25 0.00 -1.21 0.00 0.00 61.69 60.98 1rkh s THR 276 Cb -0.44 -0.52 0.29 0.00 -1.51 0.00 0.00 72.50 70.32 1rkh s THR 276 CO 0.60 0.18 1.68 0.24 -2.21 0.00 0.00 174.62 175.12 1rkh h MET 277 N 6.31 0.00 -0.92 7.08 2.86 -1.96 -1.90 114.93 126.40 1rkh h MET 277 Ca -0.32 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.45 1rkh h MET 277 Cb 1.18 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.69 1rkh h MET 277 CO 0.49 0.00 -0.42 -0.44 1.06 0.00 0.00 176.91 177.60 1rkh h ASP 278 N 0.00 -1.54 0.00 1.22 3.32 -1.96 -3.25 116.42 114.21 1rkh h ASP 278 Ca 0.00 0.30 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 1rkh h ASP 278 Cb 0.84 0.77 -0.08 0.00 0.22 0.00 0.00 39.33 41.08 1rkh h ASP 278 CO 0.00 -0.29 -0.47 -0.90 -1.72 0.00 0.00 179.24 175.86 1rkh n ASP 279 N -5.43 1.02 -3.52 6.45 5.68 -1.25 -5.03 116.55 114.48 1rkh n ASP 279 Ca 0.08 -2.52 -0.21 0.00 -0.50 0.00 0.00 54.79 51.64 1rkh n ASP 279 Cb 0.37 -0.32 0.08 0.00 -1.14 0.00 0.00 41.12 40.11 1rkh n ASP 279 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1rkh n MET 280 N -0.42 -7.28 -4.14 0.11 2.81 -0.74 -4.99 117.12 102.47 1rkh n MET 280 Ca 0.08 0.84 -0.10 0.00 -1.81 0.00 0.00 57.70 56.71 1rkh n MET 280 Cb 0.77 -5.87 -0.10 0.00 -0.71 0.00 0.00 33.22 27.31 1rkh n MET 280 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1rkh s SER 281 N -3.84 0.30 -0.31 7.83 1.04 -1.05 -4.57 113.70 113.09 1rkh s SER 281 Ca 0.29 -1.20 -0.11 0.00 0.48 0.00 0.00 55.95 55.41 1rkh s SER 281 Cb -0.13 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 1rkh s SER 281 CO 0.73 -0.74 0.20 0.26 0.98 0.00 0.00 173.24 174.68 1rkh s TRP 282 N -4.05 3.21 -0.42 5.02 0.51 -0.47 -0.35 118.94 122.39 1rkh s TRP 282 Ca 0.24 -0.18 -0.06 0.00 -2.12 0.00 0.00 56.10 53.98 1rkh s TRP 282 Cb 0.07 -2.41 0.10 0.00 -0.81 0.00 0.00 33.47 30.42 1rkh s TRP 282 CO 0.02 -0.31 0.24 0.34 -0.51 0.00 0.00 176.95 176.73 1rkh s ASP 283 N 1.71 5.45 -0.66 2.95 2.15 -0.08 -0.84 116.67 127.35 1rkh s ASP 283 Ca 0.06 -1.82 -0.01 0.00 0.43 0.00 0.00 52.55 51.22 1rkh s ASP 283 Cb -0.17 -1.91 0.42 0.00 -0.30 0.00 0.00 42.92 40.96 1rkh s ASP 283 CO 0.10 -0.57 1.88 0.00 -0.17 0.00 0.00 175.17 176.41 1rkh n GLY 285 N -0.76 2.46 3.71 0.00 0.00 -1.26 -4.81 105.19 104.54 1rkh n GLY 285 Ca 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.50 1rkh n GLY 285 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rkh s SER 286 N -0.19 -0.11 0.29 1.61 1.04 -1.26 -5.05 113.70 110.03 1rkh s SER 286 Ca 0.00 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.60 1rkh s SER 286 Cb 0.00 0.67 0.44 0.00 0.10 0.00 0.00 66.02 67.23 1rkh s SER 286 CO 0.00 -1.28 1.79 -0.61 0.98 0.00 0.00 173.24 174.12 1rkh h GLN 287 N 2.12 0.64 -0.85 4.02 5.75 -1.96 -2.78 115.11 122.06 1rkh h GLN 287 Ca -0.24 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.10 1rkh h GLN 287 Cb 1.25 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.68 1rkh h GLN 287 CO 0.31 0.70 0.55 -0.44 -2.65 0.00 0.00 178.83 177.30 1rkh h ASP 288 N 0.60 0.99 -1.50 -0.69 3.45 -1.98 -3.11 116.42 114.19 1rkh h ASP 288 Ca 0.12 -0.04 -0.69 0.00 0.43 0.00 0.00 57.03 56.85 1rkh h ASP 288 Cb 0.45 -0.25 -0.32 0.00 -0.56 0.00 0.00 39.33 38.65 1rkh h ASP 288 CO 0.02 0.73 0.50 -1.22 -1.57 0.00 0.00 179.24 177.71 1rkh n TYR 289 N -4.47 3.10 -4.13 4.55 0.53 -1.07 -4.87 117.16 110.80 1rkh n TYR 289 Ca 0.09 -2.65 -0.32 0.00 -1.02 0.00 0.00 57.90 54.01 1rkh n TYR 289 Cb 0.03 -0.98 -0.16 0.00 -1.03 0.00 0.00 39.34 37.19 1rkh n TYR 289 CO 0.00 0.00 0.00 0.21 -1.02 0.00 0.00 176.86 176.05 1rkh s LYS 290 N -3.87 2.70 -0.16 -0.72 2.20 -1.11 -0.36 119.74 118.42 1rkh s LYS 290 Ca 0.55 -0.72 0.01 0.00 -0.36 0.00 0.00 55.97 55.45 1rkh s LYS 290 Cb 0.45 -2.36 0.01 0.00 -1.51 0.00 0.00 37.83 34.42 1rkh s LYS 290 CO -0.22 -0.20 -0.18 0.71 -0.36 0.00 0.00 175.35 175.10 1rkh s TYR 291 N 1.33 2.76 0.18 4.03 1.51 -0.02 -4.94 117.35 122.19 1rkh s TYR 291 Ca 0.04 -1.29 0.02 0.00 -1.01 0.00 0.00 57.07 54.82 1rkh s TYR 291 Cb -0.13 -1.89 0.02 0.00 -0.11 0.00 0.00 41.96 39.84 1rkh s TYR 291 CO -0.11 -0.62 0.13 -0.40 -1.11 0.00 0.00 175.55 173.44 1rkh n ASP 292 N 4.27 1.59 -0.19 2.29 3.85 -1.26 -1.37 116.55 125.74 1rkh n ASP 292 Ca -0.20 -1.62 0.05 0.00 -0.71 0.00 0.00 54.79 52.31 1rkh n ASP 292 Cb 0.51 -0.01 0.33 0.00 -1.35 0.00 0.00 41.12 40.60 1rkh n ASP 292 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 1rkh h VAL 293 N 0.57 1.05 0.04 2.12 2.07 -1.95 -2.79 116.25 117.37 1rkh h VAL 293 Ca -0.11 -0.28 -0.24 0.00 0.82 0.00 0.00 66.70 66.89 1rkh h VAL 293 Cb 0.41 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1rkh h VAL 293 CO 0.18 0.15 -1.14 0.71 0.02 0.00 0.00 177.57 177.49 1rkh h THR 294 N 0.81 1.58 -0.59 2.57 1.35 -1.99 -2.37 112.91 114.26 1rkh h THR 294 Ca 0.31 -3.25 0.06 0.00 -0.55 0.00 0.00 66.41 62.97 1rkh h THR 294 Cb 0.19 2.85 -0.05 0.00 -1.73 0.00 0.00 68.15 69.41 1rkh h THR 294 CO -0.10 0.92 0.30 0.44 -0.25 0.00 0.00 175.52 176.83 1rkh h ASP 295 N 0.03 0.43 -0.59 5.36 3.32 -1.89 -0.49 116.42 122.59 1rkh h ASP 295 Ca -0.07 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 1rkh h ASP 295 Cb 1.86 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 41.34 1rkh h ASP 295 CO 0.15 0.28 0.10 0.58 -1.72 0.00 0.00 179.24 178.64 1rkh h VAL 296 N 0.57 1.25 -0.45 -1.35 2.07 -1.46 -2.53 116.25 114.35 1rkh h VAL 296 Ca 0.27 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.86 1rkh h VAL 296 Cb 0.19 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1rkh h VAL 296 CO -0.19 0.37 0.16 0.28 0.02 0.00 0.00 177.57 178.21 1rkh h SER 297 N 0.94 0.17 0.00 0.57 0.02 -1.13 -1.56 113.55 112.56 1rkh h SER 297 Ca 0.19 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1rkh h SER 297 Cb 0.40 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1rkh h SER 297 CO 0.01 0.13 0.00 0.29 -1.14 0.00 0.00 176.83 176.12 1rkh n LYS 298 N -5.01 0.55 -0.13 3.45 5.02 -0.22 -1.31 118.16 120.53 1rkh n LYS 298 Ca 0.04 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.37 1rkh n LYS 298 Cb 0.17 -1.07 0.11 0.00 -0.02 0.00 0.00 35.03 34.22 1rkh n LYS 298 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rkh n ALA 299 N -0.32 2.14 -0.00 7.82 0.00 -0.59 -0.83 120.51 128.73 1rkh n ALA 299 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1rkh n ALA 299 Cb 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1rkh n ALA 299 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rkh n GLY 300 N 0.18 1.00 3.56 0.00 0.00 -0.42 -4.76 105.19 104.75 1rkh n GLY 300 Ca 0.08 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1rkh n GLY 300 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rkh s HIS 301 N -2.00 2.65 0.43 1.61 3.76 -1.21 -4.85 115.29 115.67 1rkh s HIS 301 Ca 0.00 -0.21 0.07 0.00 -0.15 0.00 0.00 55.06 54.77 1rkh s HIS 301 Cb 0.00 -1.33 -0.02 0.00 1.11 0.00 0.00 32.58 32.34 1rkh s HIS 301 CO 0.00 0.48 0.35 0.95 -0.85 0.00 0.00 174.74 175.67 1rkh s THR 302 N -1.54 2.53 0.65 1.30 -4.23 -1.26 -4.18 115.64 108.91 1rkh s THR 302 Ca 0.23 -1.41 0.43 0.00 -1.18 0.00 0.00 61.69 59.77 1rkh s THR 302 Cb -0.09 -2.94 0.44 0.00 1.34 0.00 0.00 72.50 71.24 1rkh s THR 302 CO 0.14 0.00 2.35 -0.07 -0.54 0.00 0.00 174.62 176.51 1rkh h LEU 303 N 1.07 0.00 -1.65 4.79 3.38 -1.97 0.46 115.31 121.39 1rkh h LEU 303 Ca -0.41 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.63 1rkh h LEU 303 Cb 1.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 1rkh h LEU 303 CO 0.59 0.00 0.35 -0.33 0.09 0.00 0.00 178.44 179.15 1rkh h GLU 304 N 0.00 0.41 0.03 1.13 4.39 -2.00 -1.50 114.58 117.04 1rkh h GLU 304 Ca -0.00 -0.02 -0.35 0.00 0.34 0.00 0.00 59.36 59.32 1rkh h GLU 304 Cb 0.01 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.52 1rkh h GLU 304 CO 0.00 0.27 -1.99 -0.11 -1.16 0.00 0.00 179.01 176.03 1rkh n LEU 305 N -4.47 2.23 -0.10 1.33 7.94 -0.57 -4.61 117.00 118.75 1rkh n LEU 305 Ca 0.08 0.26 -0.03 0.00 -1.11 0.00 0.00 56.01 55.21 1rkh n LEU 305 Cb 0.28 -0.95 0.20 0.00 0.53 0.00 0.00 43.42 43.48 1rkh n LEU 305 CO 0.34 0.59 0.94 0.40 -1.11 0.00 0.00 177.39 178.55 1rkh h ILE 306 N -0.62 1.23 0.16 1.96 2.04 -0.73 -0.64 117.51 120.91 1rkh h ILE 306 Ca -0.51 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 1rkh h ILE 306 Cb 1.64 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1rkh h ILE 306 CO -0.19 0.31 -0.08 -0.08 0.00 0.00 0.00 178.15 178.11 1rkh h GLU 307 N 0.73 -0.20 -0.43 2.37 4.22 -1.54 -0.18 114.58 119.55 1rkh h GLU 307 Ca 0.16 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.58 1rkh h GLU 307 Cb 0.35 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1rkh h GLU 307 CO 0.01 0.13 0.14 -1.35 -2.18 0.00 0.00 179.01 175.75 1rkh h PRO 308 N -0.56 0.63 -0.05 0.92 0.11 -1.74 -0.53 132.00 130.78 1rkh h PRO 308 Ca -0.02 -0.10 0.01 0.00 0.11 0.00 0.00 66.00 66.00 1rkh h PRO 308 Cb 0.43 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1rkh h PRO 308 CO 0.04 0.55 -0.02 1.25 -0.21 0.00 0.00 178.00 179.61 1rkh h LEU 309 N 0.62 -0.06 -0.45 2.35 5.85 -0.98 0.17 115.31 122.80 1rkh h LEU 309 Ca 0.15 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1rkh h LEU 309 Cb 0.18 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1rkh h LEU 309 CO -0.01 -0.03 0.22 0.40 -0.34 0.00 0.00 178.44 178.68 1rkh h ILE 310 N -0.01 1.18 -0.56 4.05 1.08 -0.81 -1.10 117.51 121.33 1rkh h ILE 310 Ca 0.03 -0.53 0.05 0.00 -0.39 0.00 0.00 64.86 64.02 1rkh h ILE 310 Cb 0.05 0.70 -0.05 0.00 -3.07 0.00 0.00 36.82 34.45 1rkh h ILE 310 CO -0.06 0.20 0.30 0.11 -0.69 0.00 0.00 178.15 178.01 1rkh h LYS 311 N 0.59 0.56 -0.14 2.37 6.56 -0.92 -0.35 116.57 125.24 1rkh h LYS 311 Ca 0.16 -0.03 0.05 0.00 -1.06 0.00 0.00 60.65 59.76 1rkh h LYS 311 Cb 0.12 -0.13 -0.06 0.00 -0.57 0.00 0.00 32.23 31.59 1rkh h LYS 311 CO -0.02 0.37 -0.33 0.35 -2.06 0.00 0.00 179.45 177.76 1rkh h PHE 312 N 0.57 -0.92 -0.96 -1.35 3.57 -0.30 -0.18 116.94 117.38 1rkh h PHE 312 Ca 0.25 0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.93 1rkh h PHE 312 Cb 0.14 0.42 -0.08 0.00 2.79 0.00 0.00 35.95 39.22 1rkh h PHE 312 CO -0.09 -0.41 0.61 1.96 -2.23 0.00 0.00 178.31 178.15 1rkh h GLN 313 N -0.40 0.79 0.00 1.11 1.08 -0.43 0.24 115.11 117.50 1rkh h GLN 313 Ca 0.10 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1rkh h GLN 313 Cb 0.55 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1rkh h GLN 313 CO -0.36 0.52 -0.00 0.28 -0.95 0.00 0.00 178.83 178.32 1rkh h VAL 314 N 0.81 1.49 -0.89 -0.54 2.07 -0.62 -1.02 116.25 117.55 1rkh h VAL 314 Ca 0.49 -1.46 0.05 0.00 0.82 0.00 0.00 66.70 66.61 1rkh h VAL 314 Cb 0.68 2.48 -0.06 0.00 -1.52 0.00 0.00 31.29 32.87 1rkh h VAL 314 CO -0.26 0.38 0.57 1.23 0.02 0.00 0.00 177.57 179.51 1rkh h GLY 315 N -0.62 1.33 0.81 2.17 0.00 -0.30 -1.32 103.07 105.15 1rkh h GLY 315 Ca -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1rkh h GLY 315 CO 0.00 0.32 0.02 -2.00 0.00 0.00 0.00 176.54 174.88 1rkh h LEU 316 N 1.06 0.24 -0.68 3.11 5.85 -0.53 -3.07 115.31 121.29 1rkh h LEU 316 Ca 0.38 -0.26 0.15 0.00 0.84 0.00 0.00 57.88 58.98 1rkh h LEU 316 Cb 0.11 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 40.96 1rkh h LEU 316 CO -0.15 0.44 0.02 0.11 -0.34 0.00 0.00 178.44 178.52 1rkh h LYS 317 N 0.03 0.12 0.00 1.25 1.79 -0.87 -2.08 116.57 116.82 1rkh h LYS 317 Ca 0.05 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1rkh h LYS 317 Cb 0.30 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1rkh h LYS 317 CO 0.00 0.08 0.00 1.63 -1.08 0.00 0.00 179.45 180.08 1rkh n LYS 318 N -5.29 0.15 0.24 3.15 5.02 -0.52 -0.57 118.16 120.33 1rkh n LYS 318 Ca 0.11 0.46 0.15 0.00 -2.02 0.00 0.00 58.31 57.01 1rkh n LYS 318 Cb 0.40 -1.84 0.46 0.00 -0.02 0.00 0.00 35.03 34.04 1rkh n LYS 318 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1rkh h LEU 319 N 0.00 0.00 -2.63 -0.35 3.38 -1.31 -3.48 115.31 110.93 1rkh h LEU 319 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1rkh h LEU 319 Cb 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1rkh h LEU 319 CO 0.00 0.00 -0.93 0.59 0.09 0.00 0.00 178.44 178.19 1rkh n ASN 320 N -2.98 -2.19 -4.77 -0.43 4.13 0.26 -4.86 115.26 104.43 1rkh n ASN 320 Ca 0.02 -1.09 -0.40 0.00 1.68 0.00 0.00 54.58 54.79 1rkh n ASN 320 Cb 0.39 -2.75 0.01 0.00 -1.54 0.00 0.00 39.78 35.89 1rkh n ASN 320 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1rkh s LEU 321 N -6.96 4.20 0.59 3.41 1.43 -1.26 -5.00 118.68 115.09 1rkh s LEU 321 Ca 0.22 2.88 -0.19 0.00 -1.03 0.00 0.00 54.13 56.01 1rkh s LEU 321 Cb -0.09 -3.85 -0.04 0.00 0.03 0.00 0.00 46.19 42.24 1rkh s LEU 321 CO 0.91 -1.00 1.21 -1.00 0.23 0.00 0.00 176.35 176.70 1rkh s HIS 322 N -1.19 2.38 0.51 0.29 3.76 -1.26 -4.86 115.29 114.92 1rkh s HIS 322 Ca 0.58 1.51 0.26 0.00 -0.15 0.00 0.00 55.06 57.25 1rkh s HIS 322 Cb -0.43 -3.50 1.35 0.00 1.11 0.00 0.00 32.58 31.11 1rkh s HIS 322 CO 0.56 -2.25 1.93 1.49 -0.85 0.00 0.00 174.74 175.61 1rkh h GLU 323 N 0.91 0.10 -0.44 1.40 4.81 -2.00 -1.17 114.58 118.20 1rkh h GLU 323 Ca -0.50 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.64 1rkh h GLU 323 Cb 1.30 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 1rkh h GLU 323 CO 0.55 0.07 -0.05 0.93 -0.73 0.00 0.00 179.01 179.78 1rkh h GLU 324 N 0.11 0.74 -0.01 1.92 3.07 -1.97 -2.29 114.58 116.14 1rkh h GLU 324 Ca 0.36 -0.22 -0.25 0.00 -0.50 0.00 0.00 59.36 58.76 1rkh h GLU 324 Cb 1.29 -0.08 0.02 0.00 -0.84 0.00 0.00 28.75 29.14 1rkh h GLU 324 CO -0.04 0.79 -0.97 0.93 -1.40 0.00 0.00 179.01 178.32 1rkh h GLU 325 N 0.69 0.68 -0.42 2.33 5.08 -1.60 -2.65 114.58 118.70 1rkh h GLU 325 Ca 0.13 -0.71 0.07 0.00 -1.00 0.00 0.00 59.36 57.84 1rkh h GLU 325 Cb 0.50 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 1rkh h GLU 325 CO 0.03 1.30 0.07 1.25 -1.00 0.00 0.00 179.01 180.66 1rkh h HIS 326 N 0.35 0.11 -0.04 4.33 2.76 -1.25 0.12 115.15 121.54 1rkh h HIS 326 Ca -0.12 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 57.92 1rkh h HIS 326 Cb 1.63 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.58 1rkh h HIS 326 CO 0.11 -0.00 -0.70 -0.39 -1.30 0.00 0.00 177.93 175.65 1rkh h VAL 327 N 0.20 1.43 -0.56 5.26 -1.51 -1.46 -1.61 116.25 118.00 1rkh h VAL 327 Ca 0.20 -2.22 -0.10 0.00 -1.23 0.00 0.00 66.70 63.36 1rkh h VAL 327 Cb 0.26 2.17 -0.02 0.00 -2.13 0.00 0.00 31.29 31.57 1rkh h VAL 327 CO -0.28 0.65 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.62 1rkh h LEU 328 N 0.13 0.99 -0.63 4.19 3.38 -1.08 -2.40 115.31 119.90 1rkh h LEU 328 Ca -0.02 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1rkh h LEU 328 Cb 1.24 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1rkh h LEU 328 CO 0.10 1.07 0.27 0.25 0.09 0.00 0.00 178.44 180.22 1rkh h LEU 329 N 0.89 0.85 -1.15 1.67 5.85 -0.46 -0.10 115.31 122.87 1rkh h LEU 329 Ca 0.16 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1rkh h LEU 329 Cb 0.57 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1rkh h LEU 329 CO 0.03 0.77 0.07 0.24 -0.34 0.00 0.00 178.44 179.22 1rkh h MET 330 N 0.87 0.67 -0.14 1.25 2.86 -1.18 -0.51 114.93 118.75 1rkh h MET 330 Ca 0.21 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1rkh h MET 330 Cb 0.17 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1rkh h MET 330 CO -0.02 0.64 -0.11 0.00 1.06 0.00 0.00 176.91 178.47 1rkh h ALA 331 N 1.44 0.20 -0.64 6.32 0.00 -0.90 -2.28 119.26 123.39 1rkh h ALA 331 Ca 0.14 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1rkh h ALA 331 Cb 0.29 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1rkh h ALA 331 CO 0.00 0.05 0.21 0.82 0.00 0.00 0.00 179.25 180.33 1rkh h ILE 332 N -0.05 1.24 -0.75 0.00 2.04 -0.87 -1.45 117.51 117.67 1rkh h ILE 332 Ca 0.02 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 65.12 1rkh h ILE 332 Cb 0.63 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1rkh h ILE 332 CO 0.03 0.31 0.46 0.00 0.00 0.00 0.00 178.15 178.96 1rkh h ILE 334 N 0.89 1.30 -2.47 0.00 2.04 -0.77 -3.35 117.51 115.15 1rkh h ILE 334 Ca 0.31 -1.46 -0.80 0.00 1.00 0.00 0.00 64.86 63.91 1rkh h ILE 334 Cb 0.06 1.58 -0.25 0.00 -0.74 0.00 0.00 36.82 37.48 1rkh h ILE 334 CO -0.13 0.47 1.14 0.52 0.00 0.00 0.00 178.15 180.15 1rkh n VAL 335 N -4.26 5.15 -3.91 1.67 0.31 -0.61 -4.77 118.33 111.91 1rkh n VAL 335 Ca -0.04 -5.54 -0.35 0.00 -0.01 0.00 0.00 64.34 58.40 1rkh n VAL 335 Cb 0.47 -2.11 -0.14 0.00 -0.91 0.00 0.00 33.84 31.15 1rkh n VAL 335 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1rkh s SER 336 N -1.10 4.48 0.57 4.52 0.01 -1.25 -4.41 113.70 116.51 1rkh s SER 336 Ca 0.34 -0.74 0.34 0.00 1.31 0.00 0.00 55.95 57.20 1rkh s SER 336 Cb 0.07 -1.72 1.66 0.00 0.21 0.00 0.00 66.02 66.23 1rkh s SER 336 CO 0.07 -0.12 2.11 1.55 0.41 0.00 0.00 173.24 177.26 1rkh h PRO 337 N 8.08 0.00 -0.07 12.44 0.13 -1.88 -2.98 132.00 147.72 1rkh h PRO 337 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1rkh h PRO 337 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1rkh h PRO 337 CO 0.59 0.05 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 1rkh n ASP 338 N -3.29 1.03 -4.78 1.44 3.85 -1.26 -4.81 116.55 108.74 1rkh n ASP 338 Ca -0.01 -1.49 -0.41 0.00 -0.71 0.00 0.00 54.79 52.17 1rkh n ASP 338 Cb 0.23 -0.04 -0.00 0.00 -1.35 0.00 0.00 41.12 39.95 1rkh n ASP 338 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1rkh s ARG 339 N -1.92 4.11 0.16 0.11 1.81 -1.13 -4.88 118.95 117.20 1rkh s ARG 339 Ca 0.35 2.57 -0.31 0.00 -1.72 0.00 0.00 55.73 56.62 1rkh s ARG 339 Cb 0.18 -2.97 -0.10 0.00 -0.45 0.00 0.00 34.95 31.60 1rkh s ARG 339 CO 0.29 -0.55 1.63 -2.14 -0.68 0.00 0.00 175.30 173.85 1rkh s PRO 340 N -1.89 4.19 0.00 3.54 0.02 -1.26 -2.67 135.00 136.93 1rkh s PRO 340 Ca 0.54 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.98 1rkh s PRO 340 Cb -0.47 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 30.81 1rkh s PRO 340 CO 0.61 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 177.02 1rkh n GLY 341 N 3.87 0.50 3.74 0.52 0.00 -1.26 -4.95 105.19 107.61 1rkh n GLY 341 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1rkh n GLY 341 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rkh s VAL 342 N -2.00 3.30 0.00 1.61 1.01 -1.09 -4.95 120.40 118.27 1rkh s VAL 342 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1rkh s VAL 342 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1rkh s VAL 342 CO 0.00 0.17 0.00 0.00 0.00 0.00 0.00 175.10 175.27 1rkh n GLN 343 N 2.53 0.00 -1.90 2.72 1.13 -1.26 -4.66 117.38 115.93 1rkh n GLN 343 Ca 0.05 0.17 -0.42 0.00 -1.94 0.00 0.00 57.00 54.87 1rkh n GLN 343 Cb 0.43 -0.61 -0.00 0.00 0.11 0.00 0.00 30.24 30.17 1rkh n GLN 343 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1rkh n ASP 344 N -2.02 5.41 -0.29 1.08 4.64 -1.26 -4.76 116.55 119.35 1rkh n ASP 344 Ca 0.00 -2.93 0.16 0.00 -1.38 0.00 0.00 54.79 50.64 1rkh n ASP 344 Cb 0.00 -1.55 0.42 0.00 -1.04 0.00 0.00 41.12 38.95 1rkh n ASP 344 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1rkh h ALA 345 N 5.62 1.95 -0.24 -1.67 0.00 -1.88 -1.98 119.26 121.07 1rkh h ALA 345 Ca 0.57 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.48 1rkh h ALA 345 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1rkh h ALA 345 CO 1.75 -0.26 0.01 0.87 0.00 0.00 0.00 179.25 181.62 1rkh h LYS 346 N 0.59 0.42 -0.53 0.00 1.79 -1.96 0.52 116.57 117.40 1rkh h LYS 346 Ca 0.50 -0.13 -0.09 0.00 -2.18 0.00 0.00 60.65 58.76 1rkh h LYS 346 Cb 0.99 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.58 1rkh h LYS 346 CO -0.25 0.58 -0.01 1.25 -1.08 0.00 0.00 179.45 179.95 1rkh h LEU 347 N 0.20 0.93 -1.09 2.94 5.85 -1.88 -0.38 115.31 121.88 1rkh h LEU 347 Ca 0.07 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1rkh h LEU 347 Cb 0.39 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1rkh h LEU 347 CO 0.01 1.02 0.47 0.58 -0.34 0.00 0.00 178.44 180.17 1rkh h VAL 348 N 0.82 1.23 -0.34 1.05 2.07 -1.22 -1.76 116.25 118.10 1rkh h VAL 348 Ca 0.15 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1rkh h VAL 348 Cb 0.54 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1rkh h VAL 348 CO 0.03 0.24 -0.01 -0.08 0.02 0.00 0.00 177.57 177.78 1rkh h GLU 349 N 1.11 0.60 -0.96 1.57 4.81 -0.48 -1.08 114.58 120.15 1rkh h GLU 349 Ca 0.29 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1rkh h GLU 349 Cb -0.02 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 1rkh h GLU 349 CO -0.05 0.73 0.63 0.00 -0.73 0.00 0.00 179.01 179.59 1rkh h ALA 350 N 0.85 1.22 -0.47 2.92 0.00 -0.94 0.19 119.26 123.03 1rkh h ALA 350 Ca 0.09 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1rkh h ALA 350 Cb 0.46 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1rkh h ALA 350 CO 0.02 0.62 -0.08 0.82 0.00 0.00 0.00 179.25 180.64 1rkh h ILE 351 N 1.31 1.27 -0.02 0.00 2.04 -1.06 -2.72 117.51 118.34 1rkh h ILE 351 Ca 0.35 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 1rkh h ILE 351 Cb -0.14 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1rkh h ILE 351 CO -0.07 0.41 0.01 -0.61 0.00 0.00 0.00 178.15 177.88 1rkh h GLN 352 N 0.73 0.03 -0.68 2.37 4.15 -0.72 -2.99 115.11 117.99 1rkh h GLN 352 Ca 0.12 -0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.67 1rkh h GLN 352 Cb 0.61 -0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.21 1rkh h GLN 352 CO 0.04 0.21 0.20 -0.44 -1.93 0.00 0.00 178.83 176.91 1rkh h ASP 353 N -0.16 0.10 -0.83 -0.69 3.32 -0.64 0.47 116.42 118.00 1rkh h ASP 353 Ca 0.01 0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.24 1rkh h ASP 353 Cb 0.19 0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 1rkh h ASP 353 CO -0.00 0.04 0.50 -0.09 -1.72 0.00 0.00 179.24 177.96 1rkh h ARG 354 N 0.33 0.86 -0.17 3.56 2.43 -1.44 0.16 114.38 120.11 1rkh h ARG 354 Ca 0.37 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.35 1rkh h ARG 354 Cb 0.56 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1rkh h ARG 354 CO -0.42 0.57 -0.41 -0.07 -1.51 0.00 0.00 179.97 178.13 1rkh h LEU 355 N 0.88 0.64 -0.33 3.80 3.38 -0.93 -2.39 115.31 120.37 1rkh h LEU 355 Ca 0.37 -0.57 0.07 0.00 0.09 0.00 0.00 57.88 57.84 1rkh h LEU 355 Cb 0.23 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 1rkh h LEU 355 CO -0.20 1.10 -0.12 -1.28 0.09 0.00 0.00 178.44 178.04 1rkh h SER 356 N 0.22 -0.41 -0.05 -0.43 0.87 0.18 0.64 113.55 114.57 1rkh h SER 356 Ca -0.00 0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1rkh h SER 356 Cb 1.02 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 1rkh h SER 356 CO 0.09 -0.15 -0.08 0.78 -0.53 0.00 0.00 176.83 176.94 1rkh h ASN 357 N -0.05 0.29 -0.44 6.23 2.35 -0.76 -0.05 115.58 123.15 1rkh h ASN 357 Ca 0.16 -0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.72 1rkh h ASN 357 Cb 0.30 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1rkh h ASN 357 CO -0.36 0.42 -0.24 0.74 -1.65 0.00 0.00 177.43 176.33 1rkh h THR 358 N 0.30 1.27 -0.01 2.81 2.02 -0.84 -1.96 112.91 116.49 1rkh h THR 358 Ca 0.06 -1.41 -0.00 0.00 0.77 0.00 0.00 66.41 65.84 1rkh h THR 358 Cb 0.34 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1rkh h THR 358 CO 0.02 0.48 0.00 0.25 0.37 0.00 0.00 175.52 176.64 1rkh h LEU 359 N 0.82 0.02 -0.49 2.58 5.85 -0.23 0.45 115.31 124.30 1rkh h LEU 359 Ca 0.10 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1rkh h LEU 359 Cb 0.82 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1rkh h LEU 359 CO 0.07 0.18 0.29 1.56 -0.34 0.00 0.00 178.44 180.20 1rkh h GLN 360 N -0.15 0.68 -0.67 1.25 4.20 -1.02 -0.05 115.11 119.35 1rkh h GLN 360 Ca 0.00 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1rkh h GLN 360 Cb 0.17 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1rkh h GLN 360 CO -0.00 0.50 0.21 1.15 -0.67 0.00 0.00 178.83 180.02 1rkh h THR 361 N 0.66 1.25 -0.53 -0.54 2.02 -1.36 -1.82 112.91 112.60 1rkh h THR 361 Ca 0.18 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 1rkh h THR 361 Cb 0.01 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1rkh h THR 361 CO -0.03 0.34 0.32 0.22 0.37 0.00 0.00 175.52 176.73 1rkh h TYR 362 N 0.98 0.69 -0.14 3.16 5.03 -0.25 -1.13 116.97 125.31 1rkh h TYR 362 Ca 0.22 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.54 1rkh h TYR 362 Cb 0.30 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.34 1rkh h TYR 362 CO 0.02 0.47 0.04 0.82 -1.32 0.00 0.00 178.16 178.20 1rkh h ILE 363 N 0.71 0.96 -0.11 1.81 2.04 -0.81 0.52 117.51 122.62 1rkh h ILE 363 Ca 0.19 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.95 1rkh h ILE 363 Cb -0.02 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1rkh h ILE 363 CO -0.04 0.02 -0.20 0.03 0.00 0.00 0.00 178.15 177.96 1rkh h ARG 364 N 0.11 0.19 0.00 2.37 3.08 -1.14 -2.15 114.38 116.84 1rkh h ARG 364 Ca 0.06 -0.05 -0.27 0.00 0.07 0.00 0.00 59.98 59.79 1rkh h ARG 364 Cb 0.04 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 1rkh h ARG 364 CO -0.07 0.40 -2.10 0.00 -1.07 0.00 0.00 179.97 177.13 1rkh n ARG 366 N -2.72 2.42 -3.59 0.00 5.12 0.16 -4.95 116.66 113.10 1rkh n ARG 366 Ca -0.23 -0.04 -0.41 0.00 -1.93 0.00 0.00 57.85 55.24 1rkh n ARG 366 Cb 1.00 -0.32 -0.10 0.00 -1.16 0.00 0.00 32.46 31.87 1rkh n ARG 366 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1rkh s HIS 367 N -0.36 3.29 0.40 -1.55 2.46 -0.81 -5.00 115.29 113.72 1rkh s HIS 367 Ca 0.00 -1.26 -0.26 0.00 0.47 0.00 0.00 55.06 54.02 1rkh s HIS 367 Cb 0.00 -2.73 -0.09 0.00 -0.13 0.00 0.00 32.58 29.64 1rkh s HIS 367 CO 0.00 -0.76 1.27 -1.25 -2.47 0.00 0.00 174.74 171.53 1rkh s PRO 368 N 1.49 3.98 0.59 2.88 0.04 -1.26 -4.54 135.00 138.18 1rkh s PRO 368 Ca 0.02 2.08 -0.20 0.00 0.04 0.00 0.00 61.00 62.95 1rkh s PRO 368 Cb -0.21 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 1rkh s PRO 368 CO 0.04 -0.45 1.17 -2.30 0.04 0.00 0.00 177.00 175.50 1rkh n PRO 369 N 0.11 1.21 0.12 0.56 -0.02 -1.26 -2.66 135.00 133.06 1rkh n PRO 369 Ca 0.04 0.46 0.12 0.00 -2.02 0.00 0.00 63.50 62.10 1rkh n PRO 369 Cb 0.44 -2.38 0.25 0.00 -0.02 0.00 0.00 33.50 31.79 1rkh n PRO 369 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1rkh h PRO 370 N 0.83 0.00 -0.25 0.52 0.13 -2.03 -3.46 132.00 127.75 1rkh h PRO 370 Ca -0.50 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.71 1rkh h PRO 370 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1rkh h PRO 370 CO 0.54 0.00 0.33 0.78 -0.23 0.00 0.00 178.00 179.41 1rkh h GLY 371 N 4.36 0.00 -0.55 1.56 0.00 -1.87 0.82 103.07 107.38 1rkh h GLY 371 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rkh h GLY 371 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1rkh n SER 372 N -3.57 1.09 -4.66 0.19 3.41 -1.10 -4.77 113.62 104.20 1rkh n SER 372 Ca 0.03 -1.81 -0.43 0.00 -0.26 0.00 0.00 58.87 56.41 1rkh n SER 372 Cb 0.46 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 1rkh n SER 372 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1rkh s HIS 373 N -1.79 2.24 -1.27 7.33 5.04 0.28 -2.71 115.29 124.41 1rkh s HIS 373 Ca 0.22 0.46 -0.12 0.00 -1.54 0.00 0.00 55.06 54.08 1rkh s HIS 373 Cb 0.11 -3.81 0.11 0.00 0.04 0.00 0.00 32.58 29.04 1rkh s HIS 373 CO 0.16 -3.14 0.47 1.04 -2.34 0.00 0.00 174.74 170.94 1rkh n GLN 374 N 7.05 -2.64 -0.11 2.88 6.02 -1.26 -4.86 117.38 124.46 1rkh n GLN 374 Ca 0.16 0.30 -0.12 0.00 -0.01 0.00 0.00 57.00 57.34 1rkh n GLN 374 Cb 0.44 -4.95 -0.03 0.00 1.02 0.00 0.00 30.24 26.72 1rkh n GLN 374 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1rkh h LEU 375 N -0.84 0.64 -0.26 1.08 5.85 -1.81 -1.40 115.31 118.57 1rkh h LEU 375 Ca -0.42 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 57.96 1rkh h LEU 375 Cb 1.28 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1rkh h LEU 375 CO 0.56 0.89 -0.04 0.22 -0.34 0.00 0.00 178.44 179.73 1rkh h TYR 376 N 0.39 -0.10 -0.64 1.25 3.20 -1.89 0.02 116.97 119.21 1rkh h TYR 376 Ca 0.07 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1rkh h TYR 376 Cb 0.63 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 1rkh h TYR 376 CO 0.06 -0.09 0.18 0.00 -1.64 0.00 0.00 178.16 176.67 1rkh h ALA 377 N 1.25 1.11 -0.19 1.82 0.00 -1.93 0.12 119.26 121.44 1rkh h ALA 377 Ca 0.12 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1rkh h ALA 377 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1rkh h ALA 377 CO -0.25 0.61 -0.32 0.87 0.00 0.00 0.00 179.25 180.16 1rkh h LYS 378 N 0.95 0.38 -0.38 0.00 1.57 -0.76 -0.77 116.57 117.56 1rkh h LYS 378 Ca 0.21 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 1rkh h LYS 378 Cb 0.30 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1rkh h LYS 378 CO -0.00 0.66 -0.31 0.52 -0.57 0.00 0.00 179.45 179.75 1rkh h MET 379 N 0.33 0.84 -0.38 3.15 2.86 0.04 -2.49 114.93 119.28 1rkh h MET 379 Ca 0.04 -0.39 -0.10 0.00 -2.06 0.00 0.00 59.70 57.19 1rkh h MET 379 Cb 0.72 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1rkh h MET 379 CO 0.06 1.03 -0.17 0.82 1.06 0.00 0.00 176.91 179.70 1rkh h ILE 380 N 0.71 1.26 -0.83 -1.22 1.08 -0.54 -2.41 117.51 115.57 1rkh h ILE 380 Ca 0.08 -1.24 -0.02 0.00 -0.39 0.00 0.00 64.86 63.28 1rkh h ILE 380 Cb 0.86 1.16 -0.04 0.00 -3.07 0.00 0.00 36.82 35.73 1rkh h ILE 380 CO 0.08 0.41 0.42 -0.61 -0.69 0.00 0.00 178.15 177.76 1rkh h GLN 381 N 0.64 1.17 -0.78 2.37 5.75 -1.04 -2.13 115.11 121.10 1rkh h GLN 381 Ca 0.10 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 1rkh h GLN 381 Cb 0.65 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.94 1rkh h GLN 381 CO 0.05 0.88 0.43 0.87 -2.65 0.00 0.00 178.83 178.41 1rkh h LYS 382 N 1.17 1.08 -0.62 1.69 1.79 -0.97 0.84 116.57 121.55 1rkh h LYS 382 Ca 0.29 -0.12 0.03 0.00 -2.18 0.00 0.00 60.65 58.67 1rkh h LYS 382 Cb 0.08 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.48 1rkh h LYS 382 CO -0.04 0.79 0.41 -0.07 -1.08 0.00 0.00 179.45 179.46 1rkh h LEU 383 N 1.09 0.62 -0.34 2.94 3.38 -1.09 0.14 115.31 122.04 1rkh h LEU 383 Ca 0.28 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 1rkh h LEU 383 Cb 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1rkh h LEU 383 CO -0.05 0.43 0.04 0.00 0.09 0.00 0.00 178.44 178.96 1rkh h ALA 384 N 1.64 0.46 -0.63 1.53 0.00 -0.62 -2.73 119.26 118.91 1rkh h ALA 384 Ca 0.25 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1rkh h ALA 384 Cb 0.09 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 1rkh h ALA 384 CO -0.07 0.17 0.29 -0.44 0.00 0.00 0.00 179.25 179.21 1rkh h ASP 385 N 0.41 0.36 -0.36 0.00 3.45 -0.37 -1.94 116.42 117.97 1rkh h ASP 385 Ca 0.10 0.06 0.03 0.00 0.43 0.00 0.00 57.03 57.66 1rkh h ASP 385 Cb 0.38 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.13 1rkh h ASP 385 CO 0.01 0.22 0.24 -0.07 -1.57 0.00 0.00 179.24 178.07 1rkh h LEU 386 N 0.52 0.31 -0.57 1.55 3.38 -0.83 -1.62 115.31 118.05 1rkh h LEU 386 Ca 0.31 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1rkh h LEU 386 Cb 0.32 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1rkh h LEU 386 CO -0.26 0.21 0.26 0.03 0.09 0.00 0.00 178.44 178.78 1rkh h ARG 387 N 0.36 0.82 -0.39 1.13 2.47 -1.04 0.33 114.38 118.05 1rkh h ARG 387 Ca 0.15 -0.13 -0.06 0.00 -1.26 0.00 0.00 59.98 58.68 1rkh h ARG 387 Cb 0.15 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1rkh h ARG 387 CO -0.03 0.68 0.01 0.77 0.56 0.00 0.00 179.97 181.95 1rkh h SER 388 N 0.77 0.67 -0.60 7.04 0.02 -1.32 -1.72 113.55 118.41 1rkh h SER 388 Ca 0.19 -0.30 0.04 0.00 -0.84 0.00 0.00 61.79 60.87 1rkh h SER 388 Cb 0.13 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1rkh h SER 388 CO -0.02 0.81 0.35 -0.07 -1.14 0.00 0.00 176.83 176.76 1rkh h LEU 389 N 0.52 0.55 0.22 5.07 3.38 -1.12 -0.85 115.31 123.08 1rkh h LEU 389 Ca 0.11 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1rkh h LEU 389 Cb 0.46 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1rkh h LEU 389 CO 0.02 0.38 -0.25 -1.13 0.09 0.00 0.00 178.44 177.55 1rkh h ASN 390 N 0.68 -0.69 -0.26 -0.43 -0.73 -0.16 0.39 115.58 114.38 1rkh h ASN 390 Ca 0.25 0.07 0.06 0.00 1.87 0.00 0.00 56.30 58.55 1rkh h ASN 390 Cb 0.07 0.24 -0.06 0.00 0.27 0.00 0.00 38.32 38.84 1rkh h ASN 390 CO -0.12 -0.36 -0.13 -0.33 -0.37 0.00 0.00 177.43 176.12 1rkh h GLU 391 N -0.52 -0.09 -0.47 6.67 5.08 -1.17 0.10 114.58 124.18 1rkh h GLU 391 Ca 0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1rkh h GLU 391 Cb 0.50 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1rkh h GLU 391 CO -0.08 -0.06 0.22 1.49 -1.00 0.00 0.00 179.01 179.58 1rkh h GLU 392 N -0.10 0.68 -0.99 2.33 4.57 -0.93 -1.92 114.58 118.23 1rkh h GLU 392 Ca 0.14 -0.10 0.07 0.00 -1.18 0.00 0.00 59.36 58.28 1rkh h GLU 392 Cb 0.30 -0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 28.71 1rkh h GLU 392 CO -0.32 0.58 0.64 1.25 -1.18 0.00 0.00 179.01 179.98 1rkh h HIS 393 N 0.62 1.18 -0.22 0.92 2.76 0.43 -2.28 115.15 118.56 1rkh h HIS 393 Ca 0.16 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.37 1rkh h HIS 393 Cb 0.13 -0.39 -0.01 0.00 1.55 0.00 0.00 27.41 28.69 1rkh h HIS 393 CO -0.01 0.60 0.13 0.77 -1.30 0.00 0.00 177.93 178.12 1rkh h SER 394 N 1.15 0.21 -0.08 3.26 0.02 -0.26 0.96 113.55 118.81 1rkh h SER 394 Ca 0.43 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.41 1rkh h SER 394 Cb 0.18 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1rkh h SER 394 CO -0.18 0.15 -0.14 0.11 -1.14 0.00 0.00 176.83 175.63 1rkh h LYS 395 N 0.26 -0.19 -0.39 3.45 1.57 -1.18 0.28 116.57 120.36 1rkh h LYS 395 Ca 0.08 0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 1rkh h LYS 395 Cb -0.01 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1rkh h LYS 395 CO -0.04 -0.13 -0.26 1.96 -0.57 0.00 0.00 179.45 180.42 1rkh h GLN 396 N -0.20 0.87 -0.56 3.15 4.20 -1.27 -2.13 115.11 119.17 1rkh h GLN 396 Ca 0.07 -0.41 0.03 0.00 0.06 0.00 0.00 58.65 58.41 1rkh h GLN 396 Cb 0.30 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 1rkh h GLN 396 CO -0.20 1.05 0.33 -0.92 -0.67 0.00 0.00 178.83 178.43 1rkh h TYR 397 N 0.68 0.61 -0.14 2.96 3.20 -0.80 0.26 116.97 123.73 1rkh h TYR 397 Ca 0.08 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.01 1rkh h TYR 397 Cb 0.83 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 1rkh h TYR 397 CO 0.06 0.34 -0.17 -0.09 -1.64 0.00 0.00 178.16 176.65 1rkh h ARG 398 N 0.64 -0.21 -0.15 1.82 2.43 -0.81 0.19 114.38 118.30 1rkh h ARG 398 Ca 0.23 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1rkh h ARG 398 Cb 0.05 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1rkh h ARG 398 CO -0.11 -0.14 0.03 1.03 -1.51 0.00 0.00 179.97 179.27 1rkh h SER 399 N -0.21 0.24 -0.40 -3.80 0.87 -1.20 -1.77 113.55 107.28 1rkh h SER 399 Ca 0.10 -0.25 0.08 0.00 -1.23 0.00 0.00 61.79 60.49 1rkh h SER 399 Cb 0.36 -0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 62.18 1rkh h SER 399 CO -0.27 0.42 -0.12 0.25 -0.53 0.00 0.00 176.83 176.59 1rkh h LEU 400 N 0.04 -0.42 -0.14 2.23 6.46 -0.39 -3.26 115.31 119.83 1rkh h LEU 400 Ca 0.05 0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 57.90 1rkh h LEU 400 Cb 0.28 0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1rkh h LEU 400 CO 0.00 -0.15 -0.14 0.77 -0.62 0.00 0.00 178.44 178.30 1rkh h SER 401 N -0.02 0.00 -0.87 1.25 4.64 -0.53 -3.20 113.55 114.82 1rkh h SER 401 Ca 0.19 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.59 1rkh h SER 401 Cb 0.32 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.35 1rkh h SER 401 CO -0.42 0.14 0.56 0.15 -0.87 0.00 0.00 176.83 176.39 1rkh h PHE 402 N 0.00 0.95 -3.10 4.77 3.04 -1.36 -3.40 116.94 117.84 1rkh h PHE 402 Ca -0.00 0.03 -0.57 0.00 3.98 0.00 0.00 57.97 61.40 1rkh h PHE 402 Cb 1.06 -0.31 -0.04 0.00 2.56 0.00 0.00 35.95 39.21 1rkh h PHE 402 CO 0.00 0.47 1.10 -0.65 -2.02 0.00 0.00 178.31 177.20 1rkh s GLN 403 N -5.82 3.61 0.62 1.11 -1.52 -1.21 -4.81 119.66 111.64 1rkh s GLN 403 Ca -0.11 1.14 0.34 0.00 -1.95 0.00 0.00 55.36 54.79 1rkh s GLN 403 Cb 0.20 -4.03 2.01 0.00 -0.22 0.00 0.00 33.01 30.97 1rkh s GLN 403 CO 0.79 -1.52 2.29 -1.35 -0.25 0.00 0.00 175.29 175.25 1rkh h PRO 404 N 10.87 0.00 0.00 2.91 0.11 -1.88 -0.96 132.00 143.05 1rkh h PRO 404 Ca -0.29 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 1rkh h PRO 404 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1rkh h PRO 404 CO 1.06 0.00 -0.19 1.05 -0.21 0.00 0.00 178.00 179.71 1rkh h GLU 405 N 0.00 0.00 0.14 1.05 4.11 -1.92 -2.39 114.58 115.57 1rkh h GLU 405 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.24 1rkh h GLU 405 Cb 0.01 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.28 1rkh h GLU 405 CO -0.00 0.19 -0.83 -0.91 0.07 0.00 0.00 179.01 177.52 1rkh h ASN 406 N 0.00 0.49 -0.63 3.06 2.35 -1.45 -3.35 115.58 116.04 1rkh h ASN 406 Ca -0.00 -0.95 0.04 0.00 -0.55 0.00 0.00 56.30 54.84 1rkh h ASN 406 Cb 1.13 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.31 1rkh h ASN 406 CO 0.02 1.40 0.42 -1.28 -1.65 0.00 0.00 177.43 176.35 1rkh h SER 407 N -0.35 0.61 -0.43 5.81 0.87 -1.43 0.15 113.55 118.77 1rkh h SER 407 Ca -0.15 -0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.54 1rkh h SER 407 Cb 1.66 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.46 1rkh h SER 407 CO 0.16 0.41 0.33 0.24 -0.53 0.00 0.00 176.83 177.44 1rkh h MET 408 N 0.70 0.00 -0.01 2.24 2.07 -1.55 -1.95 114.93 116.44 1rkh h MET 408 Ca 0.26 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.89 1rkh h MET 408 Cb 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.88 1rkh h MET 408 CO -0.08 0.00 -0.17 1.63 1.07 0.00 0.00 176.91 179.37 1rkh n LYS 409 N -4.27 0.93 -2.27 1.72 4.76 0.50 -4.91 118.16 114.62 1rkh n LYS 409 Ca 0.07 -0.48 -0.27 0.00 -2.87 0.00 0.00 58.31 54.77 1rkh n LYS 409 Cb 0.52 -1.49 0.15 0.00 -1.84 0.00 0.00 35.03 32.37 1rkh n LYS 409 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1rkh s LEU 410 N -2.40 2.85 0.27 -0.35 1.43 -0.73 -4.48 118.68 115.26 1rkh s LEU 410 Ca 0.28 -0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.38 1rkh s LEU 410 Cb 0.20 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1rkh s LEU 410 CO 0.47 -2.30 0.33 0.42 0.23 0.00 0.00 176.35 175.50 1rkh s THR 411 N -3.51 4.70 0.36 5.49 -4.23 -1.26 -5.01 115.64 112.18 1rkh s THR 411 Ca 0.70 -1.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.11 1rkh s THR 411 Cb -0.04 -3.61 0.26 0.00 1.34 0.00 0.00 72.50 70.45 1rkh s THR 411 CO 0.49 -0.30 2.02 -0.65 -0.54 0.00 0.00 174.62 175.64 1rkh h PRO 412 N 1.22 0.76 -0.39 3.99 0.11 -1.99 -1.98 132.00 133.72 1rkh h PRO 412 Ca -0.49 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.44 1rkh h PRO 412 Cb 1.24 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1rkh h PRO 412 CO 0.59 0.51 -0.26 1.25 -0.21 0.00 0.00 178.00 179.88 1rkh h LEU 413 N 0.78 0.90 -0.68 2.35 5.85 -1.97 -1.21 115.31 121.34 1rkh h LEU 413 Ca 0.21 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1rkh h LEU 413 Cb -0.08 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 1rkh h LEU 413 CO -0.04 1.14 0.40 0.58 -0.34 0.00 0.00 178.44 180.17 1rkh h VAL 414 N 0.67 1.20 -0.25 1.05 2.07 -1.90 0.06 116.25 119.15 1rkh h VAL 414 Ca 0.08 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1rkh h VAL 414 Cb 0.83 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1rkh h VAL 414 CO 0.07 0.21 0.15 -0.07 0.02 0.00 0.00 177.57 177.95 1rkh h LEU 415 N 0.93 0.30 -0.10 2.57 3.38 -1.15 -0.23 115.31 121.00 1rkh h LEU 415 Ca 0.24 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1rkh h LEU 415 Cb -0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1rkh h LEU 415 CO -0.04 0.27 -0.11 -0.08 0.09 0.00 0.00 178.44 178.57 1rkh h GLU 416 N 0.30 -0.13 0.12 1.13 4.81 -1.00 0.16 114.58 119.97 1rkh h GLU 416 Ca 0.09 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1rkh h GLU 416 Cb 0.03 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1rkh h GLU 416 CO -0.02 -0.09 -0.06 0.28 -0.73 0.00 0.00 179.01 178.40 1rkh h VAL 417 N -0.14 0.94 0.00 0.32 2.07 -0.94 -3.37 116.25 115.13 1rkh h VAL 417 Ca 0.07 -1.28 -0.09 0.00 0.82 0.00 0.00 66.70 66.23 1rkh h VAL 417 Cb 0.24 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1rkh h VAL 417 CO -0.18 0.26 -0.52 -0.26 0.02 0.00 0.00 177.57 176.89 1rkh h PHE 418 N -0.87 0.00 0.00 1.57 0.05 -1.14 -3.47 116.94 113.08 1rkh h PHE 418 Ca -0.02 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.77 1rkh h PHE 418 Cb 0.55 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.50 1rkh h PHE 418 CO 0.10 0.39 0.00 0.41 -0.18 0.00 0.00 178.31 179.03 1rkh n GLY 419 N 1.22 3.66 2.53 -1.45 0.00 0.55 -4.98 105.19 106.72 1rkh n GLY 419 Ca 0.01 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 1rkh n GLY 419 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rkh n ASN 420 N 0.00 -0.32 -4.31 1.61 5.15 -1.20 -4.45 115.26 111.74 1rkh n ASN 420 Ca 0.00 -3.01 -0.45 0.00 -0.60 0.00 0.00 54.58 50.52 1rkh n ASN 420 Cb 0.00 0.34 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 1rkh n ASN 420 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1rkh n GLU 421 N 0.06 3.64 0.00 1.20 4.71 -1.26 -5.12 120.64 123.87 1rkh n GLU 421 Ca 0.11 -4.35 0.03 0.00 -0.01 0.00 0.00 57.16 52.95 1rkh n GLU 421 Cb 0.74 -2.63 0.03 0.00 -1.01 0.00 0.00 31.44 28.57 1rkh n GLU 421 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73