#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pcx n PRO 134 N 0.00 0.52 -1.67 2.89 -0.02 -1.26 -4.93 135.00 130.53 1pcx n PRO 134 Ca 0.00 0.00 -0.48 0.00 -2.02 0.00 0.00 63.50 61.00 1pcx n PRO 134 Cb 0.00 -1.24 -0.05 0.00 -0.02 0.00 0.00 33.50 32.19 1pcx n PRO 134 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1pcx n MET 135 N 1.56 1.99 -1.41 -0.52 2.81 -1.26 -4.86 117.12 115.43 1pcx n MET 135 Ca 0.00 0.72 -0.43 0.00 -1.81 0.00 0.00 57.70 56.18 1pcx n MET 135 Cb 0.26 -2.50 -0.00 0.00 -0.71 0.00 0.00 33.22 30.27 1pcx n MET 135 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1pcx n ASN 136 N 4.61 -1.41 -4.70 7.83 3.02 -1.26 -4.95 115.26 118.41 1pcx n ASN 136 Ca 0.20 0.93 -0.31 0.00 -0.03 0.00 0.00 54.58 55.37 1pcx n ASN 136 Cb 0.27 -1.03 -0.08 0.00 -0.61 0.00 0.00 39.78 38.33 1pcx n ASN 136 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1pcx s GLN 137 N -1.31 2.66 -0.03 3.52 -1.52 -1.26 -4.86 119.66 116.87 1pcx s GLN 137 Ca 0.62 -0.76 -0.30 0.00 -1.95 0.00 0.00 55.36 52.97 1pcx s GLN 137 Cb -0.67 -2.61 -0.06 0.00 -0.22 0.00 0.00 33.01 29.46 1pcx s GLN 137 CO 0.59 0.57 1.55 -1.17 -0.25 0.00 0.00 175.29 176.58 1pcx s LEU 138 N -2.13 4.32 -0.68 2.90 0.20 -1.26 -4.89 118.68 117.13 1pcx s LEU 138 Ca 0.25 2.20 -0.01 0.00 0.69 0.00 0.00 54.13 57.26 1pcx s LEU 138 Cb -0.12 -3.55 0.17 0.00 -0.43 0.00 0.00 46.19 42.27 1pcx s LEU 138 CO 0.17 -0.84 0.50 -0.31 -0.29 0.00 0.00 176.35 175.57 1pcx s TYR 139 N 3.26 3.49 0.35 5.38 1.51 -1.26 -5.05 117.35 125.03 1pcx s TYR 139 Ca 0.69 -2.89 -0.29 0.00 -1.01 0.00 0.00 57.07 53.57 1pcx s TYR 139 Cb -0.33 -3.12 -0.11 0.00 -0.11 0.00 0.00 41.96 38.29 1pcx s TYR 139 CO 0.28 -0.78 1.52 -1.25 -1.11 0.00 0.00 175.55 174.21 1pcx s PRO 140 N -0.49 4.11 0.12 -1.71 0.04 -1.26 -0.90 135.00 134.90 1pcx s PRO 140 Ca 0.20 2.58 -0.05 0.00 0.04 0.00 0.00 61.00 63.76 1pcx s PRO 140 Cb -0.17 -2.98 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 1pcx s PRO 140 CO -0.06 -0.56 0.14 0.96 0.04 0.00 0.00 177.00 177.52 1pcx s ILE 141 N -0.79 0.12 -0.29 0.56 -4.36 0.18 -4.85 121.20 111.76 1pcx s ILE 141 Ca 0.56 -1.59 -0.05 0.00 -0.26 0.00 0.00 60.65 59.31 1pcx s ILE 141 Cb -0.47 -1.77 0.02 0.00 1.25 0.00 0.00 42.46 41.49 1pcx s ILE 141 CO 0.59 -0.52 0.05 -0.62 0.24 0.00 0.00 174.94 174.67 1pcx s ASP 142 N -2.97 4.97 0.45 4.36 2.15 -1.26 -2.23 116.67 122.14 1pcx s ASP 142 Ca 0.16 -0.88 0.11 0.00 0.43 0.00 0.00 52.55 52.37 1pcx s ASP 142 Cb 0.06 -1.82 1.01 0.00 -0.30 0.00 0.00 42.92 41.87 1pcx s ASP 142 CO -0.03 -0.21 2.07 -0.07 -0.17 0.00 0.00 175.17 176.76 1pcx h LEU 143 N 8.16 0.31 -1.48 -1.34 3.38 -1.42 -1.10 115.31 121.82 1pcx h LEU 143 Ca -0.29 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1pcx h LEU 143 Cb 1.11 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1pcx h LEU 143 CO 0.59 0.22 0.00 -0.07 0.09 0.00 0.00 178.44 179.27 1pcx h LEU 144 N 0.37 0.00 -1.57 1.67 3.38 -1.94 -1.76 115.31 115.46 1pcx h LEU 144 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1pcx h LEU 144 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1pcx h LEU 144 CO -0.03 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.91 1pcx n THR 145 N -2.59 0.10 -3.11 0.22 -1.04 -0.42 -4.53 114.28 102.92 1pcx n THR 145 Ca -0.00 -0.43 -0.26 0.00 -2.04 0.00 0.00 64.05 61.31 1pcx n THR 145 Cb 0.17 0.95 -0.05 0.00 -1.82 0.00 0.00 70.33 69.57 1pcx n THR 145 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1pcx n GLU 146 N 0.85 2.82 -4.10 -2.82 1.02 -0.66 -5.01 120.64 112.74 1pcx n GLU 146 Ca 0.17 -4.68 -0.19 0.00 -0.02 0.00 0.00 57.16 52.44 1pcx n GLU 146 Cb 0.49 -2.18 -0.16 0.00 -0.02 0.00 0.00 31.44 29.56 1pcx n GLU 146 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pcx s LEU 147 N -3.05 1.30 0.76 -4.62 1.02 -1.26 -2.51 118.68 110.31 1pcx s LEU 147 Ca 0.45 -0.10 -0.14 0.00 0.02 0.00 0.00 54.13 54.37 1pcx s LEU 147 Cb 0.24 -0.38 0.05 0.00 0.02 0.00 0.00 46.19 46.12 1pcx s LEU 147 CO -0.10 -0.06 1.18 -2.84 0.02 0.00 0.00 176.35 174.55 1pcx s PRO 148 N 0.92 2.02 0.52 1.29 0.02 -1.26 -5.11 135.00 133.41 1pcx s PRO 148 Ca -0.11 1.66 -0.22 0.00 0.02 0.00 0.00 61.00 62.35 1pcx s PRO 148 Cb -0.14 -1.83 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 1pcx s PRO 148 CO -0.00 -1.90 1.15 -2.30 -0.33 0.00 0.00 177.00 173.62 1pcx n PRO 149 N -2.98 1.40 -1.16 5.54 -0.02 -1.05 -4.87 135.00 131.86 1pcx n PRO 149 Ca 0.13 0.52 -0.34 0.00 -2.02 0.00 0.00 63.50 61.78 1pcx n PRO 149 Cb 0.51 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 1pcx n PRO 149 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1pcx n PRO 150 N -0.65 2.96 0.00 0.52 -0.02 -1.26 -4.78 135.00 131.77 1pcx n PRO 150 Ca 0.11 -1.99 0.00 0.00 -2.02 0.00 0.00 63.50 59.60 1pcx n PRO 150 Cb 0.44 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 1pcx n PRO 150 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1pcx n ILE 151 N 4.09 0.51 0.66 4.25 -5.35 -1.26 -0.80 119.36 121.46 1pcx n ILE 151 Ca 0.63 0.27 0.11 0.00 -0.27 0.00 0.00 62.75 63.49 1pcx n ILE 151 Cb 0.23 -1.27 0.45 0.00 -1.74 0.00 0.00 39.64 37.31 1pcx n ILE 151 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1pcx n THR 152 N -1.01 0.60 0.21 7.28 -2.24 -1.26 -2.71 114.28 115.16 1pcx n THR 152 Ca 0.00 0.09 0.08 0.00 -2.27 0.00 0.00 64.05 61.95 1pcx n THR 152 Cb 0.14 -0.81 0.45 0.00 -2.10 0.00 0.00 70.33 68.01 1pcx n THR 152 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1pcx h ASP 153 N 0.00 0.00 -0.00 3.42 5.19 -1.38 -2.83 116.42 120.82 1pcx h ASP 153 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1pcx h ASP 153 Cb 0.42 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.93 1pcx h ASP 153 CO 0.00 0.28 0.03 -0.07 -3.12 0.00 0.00 179.24 176.36 1pcx h LEU 154 N 0.00 0.00 -2.84 1.55 3.38 -1.75 -1.12 115.31 114.53 1pcx h LEU 154 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pcx h LEU 154 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1pcx h LEU 154 CO 0.04 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.92 1pcx n THR 155 N -3.12 1.04 -2.98 0.22 -2.24 -1.07 -4.99 114.28 101.15 1pcx n THR 155 Ca -0.03 -1.02 -0.30 0.00 -2.27 0.00 0.00 64.05 60.43 1pcx n THR 155 Cb 0.09 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 1pcx n THR 155 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1pcx s LEU 156 N -1.05 3.89 0.51 3.22 1.43 -0.42 -5.06 118.68 121.20 1pcx s LEU 156 Ca 0.36 1.05 -0.18 0.00 -1.03 0.00 0.00 54.13 54.33 1pcx s LEU 156 Cb 0.19 -3.91 -0.08 0.00 0.03 0.00 0.00 46.19 42.42 1pcx s LEU 156 CO 0.24 -0.34 1.00 -2.84 0.23 0.00 0.00 176.35 174.64 1pcx s PRO 157 N -3.73 3.84 1.30 1.29 0.02 -1.26 -5.03 135.00 131.43 1pcx s PRO 157 Ca 0.50 1.13 -0.18 0.00 0.02 0.00 0.00 61.00 62.47 1pcx s PRO 157 Cb -0.10 -2.11 0.33 0.00 0.02 0.00 0.00 34.50 32.63 1pcx s PRO 157 CO 0.30 -0.37 0.97 -1.25 -0.33 0.00 0.00 177.00 176.32 1pcx s PRO 158 N -3.71 -2.00 0.62 5.54 0.04 -1.26 -4.92 135.00 129.31 1pcx s PRO 158 Ca 0.62 0.50 -0.19 0.00 0.04 0.00 0.00 61.00 61.98 1pcx s PRO 158 Cb -0.12 -1.45 -0.03 0.00 0.04 0.00 0.00 34.50 32.94 1pcx s PRO 158 CO 0.26 -4.35 1.24 -2.30 0.04 0.00 0.00 177.00 171.89 1pcx n PRO 159 N -5.32 1.17 -1.15 0.56 -0.02 -1.26 -4.95 135.00 124.03 1pcx n PRO 159 Ca 0.07 0.45 -0.34 0.00 -2.02 0.00 0.00 63.50 61.67 1pcx n PRO 159 Cb 0.57 -2.46 0.12 0.00 -0.02 0.00 0.00 33.50 31.71 1pcx n PRO 159 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1pcx s PRO 160 N -3.16 1.69 -0.64 0.52 0.02 -1.26 -4.97 135.00 127.20 1pcx s PRO 160 Ca 0.79 1.77 -0.16 0.00 0.02 0.00 0.00 61.00 63.43 1pcx s PRO 160 Cb -0.40 -1.78 0.16 0.00 0.02 0.00 0.00 34.50 32.50 1pcx s PRO 160 CO 0.43 -2.18 0.61 -0.51 -0.33 0.00 0.00 177.00 175.02 1pcx s LEU 161 N -5.63 6.28 -0.98 -5.54 1.43 -1.26 -4.94 118.68 108.04 1pcx s LEU 161 Ca 0.74 -2.05 -0.25 0.00 -1.03 0.00 0.00 54.13 51.54 1pcx s LEU 161 Cb -0.29 -2.22 -0.11 0.00 0.03 0.00 0.00 46.19 43.59 1pcx s LEU 161 CO 0.50 -0.80 2.09 -0.69 0.23 0.00 0.00 176.35 177.68 1pcx s VAL 162 N 1.27 3.29 -0.16 -1.59 1.01 -1.26 -4.91 120.40 118.04 1pcx s VAL 162 Ca 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 1pcx s VAL 162 Cb -0.23 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.28 1pcx s VAL 162 CO -0.01 -0.57 -0.04 -0.63 0.00 0.00 0.00 175.10 173.86 1pcx s ILE 163 N 12.80 1.02 0.72 2.22 -1.09 -1.26 -4.54 121.20 131.08 1pcx s ILE 163 Ca 0.77 -0.60 -0.14 0.00 -2.23 0.00 0.00 60.65 58.45 1pcx s ILE 163 Cb -0.06 -1.23 0.03 0.00 -1.58 0.00 0.00 42.46 39.62 1pcx s ILE 163 CO 0.08 0.10 1.16 -2.16 -1.23 0.00 0.00 174.94 172.89 1pcx s PRO 164 N 1.67 2.29 0.62 2.79 0.04 -1.26 -4.91 135.00 136.24 1pcx s PRO 164 Ca 0.01 1.59 0.31 0.00 0.04 0.00 0.00 61.00 62.94 1pcx s PRO 164 Cb -0.15 -1.87 1.69 0.00 0.04 0.00 0.00 34.50 34.21 1pcx s PRO 164 CO -0.08 -1.68 2.03 -1.35 0.04 0.00 0.00 177.00 175.97 1pcx h PRO 165 N -0.33 0.00 -0.49 0.56 0.11 -2.00 -2.80 132.00 127.05 1pcx h PRO 165 Ca -0.47 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 1pcx h PRO 165 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1pcx h PRO 165 CO 0.51 0.00 -0.20 0.93 -0.21 0.00 0.00 178.00 179.02 1pcx h GLU 166 N 0.00 0.99 0.00 1.05 3.07 -2.00 -2.82 114.58 114.87 1pcx h GLU 166 Ca 0.08 -0.41 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1pcx h GLU 166 Cb 0.64 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1pcx h GLU 166 CO -0.00 1.09 0.00 0.54 -1.40 0.00 0.00 179.01 179.24 1pcx n ARG 167 N -4.11 0.17 -4.32 2.33 5.12 -1.05 -4.60 116.66 110.19 1pcx n ARG 167 Ca 0.00 0.47 -0.34 0.00 -1.93 0.00 0.00 57.85 56.06 1pcx n ARG 167 Cb 0.45 -1.87 -0.11 0.00 -1.16 0.00 0.00 32.46 29.77 1pcx n ARG 167 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 1pcx s MET 168 N -3.36 3.64 0.19 5.56 -1.94 -1.07 -4.40 119.30 117.92 1pcx s MET 168 Ca 0.03 -0.47 -0.10 0.00 -1.71 0.00 0.00 55.69 53.44 1pcx s MET 168 Cb 0.08 -2.96 0.12 0.00 2.01 0.00 0.00 34.83 34.08 1pcx s MET 168 CO 0.33 0.32 1.76 -0.07 -0.01 0.00 0.00 175.02 177.35 1pcx h LEU 169 N 6.47 0.95 -6.51 -0.03 3.38 -1.69 -3.35 115.31 114.53 1pcx h LEU 169 Ca -0.35 -0.16 -0.60 0.00 0.09 0.00 0.00 57.88 56.86 1pcx h LEU 169 Cb 1.19 -0.25 -0.40 0.00 0.09 0.00 0.00 40.66 41.29 1pcx h LEU 169 CO 0.63 0.85 -0.84 0.52 0.09 0.00 0.00 178.44 179.69 1pcx n VAL 170 N -4.39 0.02 -1.44 1.22 0.31 -1.26 -5.10 118.33 107.69 1pcx n VAL 170 Ca 0.05 -4.10 -0.57 0.00 -0.01 0.00 0.00 64.34 59.71 1pcx n VAL 170 Cb 0.17 -1.89 -0.09 0.00 -0.91 0.00 0.00 33.84 31.11 1pcx n VAL 170 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1pcx n PRO 171 N 2.20 0.54 -3.87 5.55 -0.02 -1.26 -4.71 135.00 133.43 1pcx n PRO 171 Ca 0.26 0.16 -0.08 0.00 -2.02 0.00 0.00 63.50 61.82 1pcx n PRO 171 Cb 0.44 -1.91 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 1pcx n PRO 171 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1pcx s SER 172 N 5.73 -0.15 0.18 2.55 1.04 -1.26 -5.00 113.70 116.79 1pcx s SER 172 Ca 1.12 -0.79 -0.06 0.00 0.48 0.00 0.00 55.95 56.69 1pcx s SER 172 Cb -1.22 0.74 0.09 0.00 0.10 0.00 0.00 66.02 65.73 1pcx s SER 172 CO 0.62 -1.40 1.54 -0.33 0.98 0.00 0.00 173.24 174.65 1pcx h GLU 173 N 2.03 0.78 0.00 4.02 5.08 -1.95 -2.33 114.58 122.20 1pcx h GLU 173 Ca -0.23 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.74 1pcx h GLU 173 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1pcx h GLU 173 CO 0.29 1.02 0.00 1.28 -1.00 0.00 0.00 179.01 180.60 1pcx n LEU 174 N -4.05 0.00 0.17 1.33 4.77 -1.26 -3.24 117.00 114.71 1pcx n LEU 174 Ca -0.02 0.43 0.02 0.00 -0.03 0.00 0.00 56.01 56.42 1pcx n LEU 174 Cb 0.52 -0.43 0.35 0.00 -2.33 0.00 0.00 43.42 41.52 1pcx n LEU 174 CO 0.47 -0.29 0.74 -1.28 -1.33 0.00 0.00 177.39 175.69 1pcx h SER 175 N 0.00 0.05 -3.00 -1.43 0.87 -1.53 -1.96 113.55 106.56 1pcx h SER 175 Ca 0.00 -0.02 -0.63 0.00 -1.23 0.00 0.00 61.79 59.92 1pcx h SER 175 Cb 0.14 -0.01 -0.14 0.00 -0.44 0.00 0.00 62.40 61.95 1pcx h SER 175 CO 0.00 0.40 -0.73 0.21 -0.53 0.00 0.00 176.83 176.18 1pcx s ASN 176 N -6.93 4.19 0.25 6.23 3.84 -1.20 -3.79 114.94 117.53 1pcx s ASN 176 Ca -0.03 -0.61 -0.31 0.00 0.21 0.00 0.00 52.86 52.13 1pcx s ASN 176 Cb 0.14 -0.68 -0.11 0.00 -0.55 0.00 0.00 41.25 40.05 1pcx s ASN 176 CO 0.73 0.10 1.59 0.00 -2.79 0.00 0.00 177.10 176.74 1pcx s ALA 177 N -1.72 3.77 0.65 1.71 0.00 -1.09 -4.69 121.76 120.39 1pcx s ALA 177 Ca 0.25 1.51 -0.14 0.00 0.00 0.00 0.00 51.96 53.58 1pcx s ALA 177 Cb -0.09 -3.64 -0.01 0.00 0.00 0.00 0.00 23.12 19.39 1pcx s ALA 177 CO 0.15 -0.90 1.07 0.45 0.00 0.00 0.00 175.76 176.52 1pcx s SER 178 N 0.70 5.40 0.45 0.00 0.15 -1.26 -4.91 113.70 114.23 1pcx s SER 178 Ca 0.66 1.80 0.29 0.00 0.70 0.00 0.00 55.95 59.41 1pcx s SER 178 Cb -0.47 -2.53 1.11 0.00 -1.71 0.00 0.00 66.02 62.42 1pcx s SER 178 CO 0.42 -1.43 1.86 -0.65 1.20 0.00 0.00 173.24 174.64 1pcx h PRO 179 N -0.11 0.00 0.00 5.44 0.11 -1.95 -2.19 132.00 133.30 1pcx h PRO 179 Ca -0.46 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 1pcx h PRO 179 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1pcx h PRO 179 CO 0.56 0.00 -0.27 -0.44 -0.21 0.00 0.00 178.00 177.63 1pcx h ASP 180 N 0.00 0.00 0.00 -2.05 3.32 -1.97 -3.28 116.42 112.44 1pcx h ASP 180 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 1pcx h ASP 180 Cb 0.56 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.04 1pcx h ASP 180 CO 0.00 0.27 -2.38 -1.22 -1.72 0.00 0.00 179.24 174.20 1pcx n TYR 181 N -3.58 0.00 -3.72 4.55 4.02 -1.09 -4.66 117.16 112.68 1pcx n TYR 181 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.76 1pcx n TYR 181 Cb 0.41 -0.94 -0.10 0.00 -0.02 0.00 0.00 39.34 38.69 1pcx n TYR 181 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 1pcx s ILE 182 N -2.48 -0.01 -0.10 -0.72 2.07 -0.84 -1.37 121.20 117.74 1pcx s ILE 182 Ca -0.29 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 58.97 1pcx s ILE 182 Cb 0.08 -0.58 0.04 0.00 0.13 0.00 0.00 42.46 42.12 1pcx s ILE 182 CO 0.60 0.02 0.02 -0.13 -1.91 0.00 0.00 174.94 173.54 1pcx s ARG 183 N 0.68 0.56 0.24 3.50 0.52 -0.80 -3.89 118.95 119.76 1pcx s ARG 183 Ca -0.04 -0.00 -0.19 0.00 -0.52 0.00 0.00 55.73 54.98 1pcx s ARG 183 Cb -0.05 -1.24 -0.08 0.00 0.52 0.00 0.00 34.95 34.09 1pcx s ARG 183 CO -0.05 -0.40 0.74 0.45 0.02 0.00 0.00 175.30 176.07 1pcx s SER 184 N 1.97 7.04 0.47 0.23 0.15 -1.26 -1.14 113.70 121.16 1pcx s SER 184 Ca 0.04 1.43 0.21 0.00 0.70 0.00 0.00 55.95 58.33 1pcx s SER 184 Cb -0.13 -2.43 1.18 0.00 -1.71 0.00 0.00 66.02 62.93 1pcx s SER 184 CO -0.06 -0.01 1.99 0.71 1.20 0.00 0.00 173.24 177.07 1pcx h THR 185 N 2.63 0.82 -3.21 6.45 1.35 -1.55 -3.41 112.91 116.00 1pcx h THR 185 Ca -0.48 -0.73 -0.60 0.00 -0.55 0.00 0.00 66.41 64.05 1pcx h THR 185 Cb 1.19 1.43 -0.36 0.00 -1.73 0.00 0.00 68.15 68.68 1pcx h THR 185 CO 0.65 0.18 -0.82 -0.76 -0.25 0.00 0.00 175.52 174.52 1pcx s LEU 186 N -7.72 1.79 -0.23 3.87 1.43 -1.26 -0.54 118.68 116.02 1pcx s LEU 186 Ca -0.03 -0.58 0.14 0.00 -1.03 0.00 0.00 54.13 52.63 1pcx s LEU 186 Cb 0.14 -1.15 0.82 0.00 0.03 0.00 0.00 46.19 46.03 1pcx s LEU 186 CO 0.64 -0.09 1.75 0.59 0.23 0.00 0.00 176.35 179.47 1pcx n ASN 187 N 4.77 5.70 -2.97 2.29 3.02 -0.77 -4.38 115.26 122.92 1pcx n ASN 187 Ca -0.16 -2.91 -0.11 0.00 -0.03 0.00 0.00 54.58 51.37 1pcx n ASN 187 Cb 0.49 -0.68 -0.02 0.00 -0.61 0.00 0.00 39.78 38.95 1pcx n ASN 187 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pcx s ALA 188 N -2.73 -1.11 0.17 5.41 0.00 -1.26 -4.30 121.76 117.94 1pcx s ALA 188 Ca 0.55 -0.97 -0.31 0.00 0.00 0.00 0.00 51.96 51.22 1pcx s ALA 188 Cb 0.41 -2.39 -0.10 0.00 0.00 0.00 0.00 23.12 21.04 1pcx s ALA 188 CO 0.16 -2.16 1.57 0.08 0.00 0.00 0.00 175.76 175.41 1pcx s VAL 189 N 0.71 2.60 0.34 0.00 1.01 -0.11 -4.51 120.40 120.44 1pcx s VAL 189 Ca 0.30 0.44 -0.28 0.00 0.00 0.00 0.00 61.98 62.43 1pcx s VAL 189 Cb 0.00 -3.28 -0.12 0.00 0.00 0.00 0.00 36.38 32.98 1pcx s VAL 189 CO -0.09 0.04 1.30 -2.65 0.00 0.00 0.00 175.10 173.70 1pcx n PRO 190 N 3.89 2.14 0.00 2.72 -0.02 -1.26 -1.71 135.00 140.75 1pcx n PRO 190 Ca 0.14 0.75 0.15 0.00 -2.02 0.00 0.00 63.50 62.52 1pcx n PRO 190 Cb 0.38 -2.34 0.84 0.00 -0.02 0.00 0.00 33.50 32.36 1pcx n PRO 190 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1pcx n LYS 191 N 0.65 0.75 -3.51 -0.52 4.81 -0.08 -4.73 118.16 115.51 1pcx n LYS 191 Ca 0.05 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.41 1pcx n LYS 191 Cb 0.36 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.89 1pcx n LYS 191 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1pcx s ASN 192 N -2.22 -0.36 0.15 3.14 2.20 -1.26 -1.48 114.94 115.11 1pcx s ASN 192 Ca 0.39 -0.03 -0.22 0.00 -0.94 0.00 0.00 52.86 52.06 1pcx s ASN 192 Cb 0.20 0.40 0.02 0.00 -2.00 0.00 0.00 41.25 39.87 1pcx s ASN 192 CO 0.39 -0.66 1.64 0.28 -2.94 0.00 0.00 177.10 175.81 1pcx h SER 193 N 2.00 -0.70 -0.47 3.54 0.02 -1.81 -2.44 113.55 113.69 1pcx h SER 193 Ca -0.23 0.13 0.12 0.00 -0.84 0.00 0.00 61.79 60.97 1pcx h SER 193 Cb 1.24 0.33 -0.02 0.00 0.14 0.00 0.00 62.40 64.09 1pcx h SER 193 CO 0.31 -0.26 0.33 0.77 -1.14 0.00 0.00 176.83 176.84 1pcx h SER 194 N -0.24 0.07 1.06 3.07 4.64 -1.95 -0.53 113.55 119.67 1pcx h SER 194 Ca 0.13 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.28 1pcx h SER 194 Cb 0.43 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1pcx h SER 194 CO -0.35 0.04 -0.80 0.25 -0.87 0.00 0.00 176.83 175.09 1pcx h LEU 195 N 0.07 0.00 -0.03 5.97 5.85 -1.87 -2.79 115.31 122.52 1pcx h LEU 195 Ca 0.22 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.74 1pcx h LEU 195 Cb 0.78 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.83 1pcx h LEU 195 CO -0.02 0.80 -0.76 0.25 -0.34 0.00 0.00 178.44 178.38 1pcx h LEU 196 N 0.00 0.72 -1.40 2.25 5.85 -0.92 -2.46 115.31 119.35 1pcx h LEU 196 Ca -0.01 -0.72 -0.06 0.00 0.84 0.00 0.00 57.88 57.93 1pcx h LEU 196 Cb 1.55 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1pcx h LEU 196 CO 0.10 1.34 -0.24 0.50 -0.34 0.00 0.00 178.44 179.81 1pcx h LYS 197 N 0.16 0.09 -0.15 1.25 3.64 -1.29 -2.70 116.57 117.57 1pcx h LYS 197 Ca -0.09 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.07 1pcx h LYS 197 Cb 1.43 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1pcx h LYS 197 CO 0.15 0.33 -0.70 -0.22 -2.27 0.00 0.00 179.45 176.74 1pcx h LYS 198 N 0.09 0.63 -0.34 1.90 3.64 -1.45 -3.19 116.57 117.85 1pcx h LYS 198 Ca 0.01 -0.48 -0.06 0.00 -1.27 0.00 0.00 60.65 58.86 1pcx h LYS 198 Cb 0.47 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1pcx h LYS 198 CO 0.03 1.10 -0.04 0.66 -2.27 0.00 0.00 179.45 178.93 1pcx h SER 199 N 0.44 0.52 -0.00 4.20 4.64 -1.12 -3.46 113.55 118.76 1pcx h SER 199 Ca -0.03 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1pcx h SER 199 Cb 1.29 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1pcx h SER 199 CO 0.13 0.61 -0.00 0.29 -0.87 0.00 0.00 176.83 177.00 1pcx n LYS 200 N -4.25 -0.94 -3.42 4.77 4.76 -1.10 -4.87 118.16 113.11 1pcx n LYS 200 Ca 0.01 0.24 -0.38 0.00 -2.87 0.00 0.00 58.31 55.31 1pcx n LYS 200 Cb 0.28 -3.95 -0.06 0.00 -1.84 0.00 0.00 35.03 29.46 1pcx n LYS 200 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1pcx s LEU 201 N -0.01 4.38 0.52 -0.35 1.43 -1.26 -4.79 118.68 118.59 1pcx s LEU 201 Ca 0.00 0.88 -0.18 0.00 -1.03 0.00 0.00 54.13 53.80 1pcx s LEU 201 Cb 0.00 -2.63 -0.07 0.00 0.03 0.00 0.00 46.19 43.52 1pcx s LEU 201 CO 0.00 0.18 1.01 -2.16 0.23 0.00 0.00 176.35 175.61 1pcx s PRO 202 N -0.28 3.80 -0.39 1.29 0.04 -1.26 -4.94 135.00 133.26 1pcx s PRO 202 Ca 0.24 1.12 -0.04 0.00 0.04 0.00 0.00 61.00 62.36 1pcx s PRO 202 Cb -0.16 -2.11 0.09 0.00 0.04 0.00 0.00 34.50 32.36 1pcx s PRO 202 CO 0.12 -0.41 0.18 0.12 0.04 0.00 0.00 177.00 177.05 1pcx s PHE 203 N -2.39 3.45 0.19 0.56 2.19 -1.26 -4.59 117.98 116.13 1pcx s PHE 203 Ca 0.62 -2.05 -0.04 0.00 0.33 0.00 0.00 56.93 55.80 1pcx s PHE 203 Cb -0.13 -2.91 -0.03 0.00 -1.31 0.00 0.00 43.02 38.64 1pcx s PHE 203 CO 0.28 -0.90 0.19 0.20 1.83 0.00 0.00 175.22 176.82 1pcx s GLY 204 N 1.79 1.14 -0.11 13.12 0.00 -1.26 0.30 107.32 122.30 1pcx s GLY 204 Ca 0.04 -1.46 0.01 0.00 0.00 0.00 0.00 44.72 43.31 1pcx s GLY 204 CO -0.02 -1.22 -0.12 1.08 0.00 0.00 0.00 173.10 172.82 1pcx s LEU 205 N -3.10 1.55 -0.43 0.66 1.43 0.18 -1.50 118.68 117.47 1pcx s LEU 205 Ca 0.32 -0.39 -0.20 0.00 -1.03 0.00 0.00 54.13 52.84 1pcx s LEU 205 Cb 0.05 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.30 1pcx s LEU 205 CO 0.09 -0.04 0.60 -0.69 0.23 0.00 0.00 176.35 176.55 1pcx s VAL 206 N 1.26 4.88 -0.15 -1.59 1.01 -0.29 -1.47 120.40 124.05 1pcx s VAL 206 Ca -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1pcx s VAL 206 Cb -0.14 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1pcx s VAL 206 CO -0.05 -0.55 -0.07 -0.63 0.00 0.00 0.00 175.10 173.79 1pcx s ILE 207 N 2.68 3.54 -0.41 2.22 1.01 -0.30 -1.90 121.20 128.04 1pcx s ILE 207 Ca 0.21 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.39 1pcx s ILE 207 Cb -0.15 -2.53 0.14 0.00 0.01 0.00 0.00 42.46 39.94 1pcx s ILE 207 CO 0.18 0.50 0.25 -0.60 0.00 0.00 0.00 174.94 175.27 1pcx s ARG 208 N 0.42 0.97 0.26 2.79 3.52 -0.47 -0.87 118.95 125.57 1pcx s ARG 208 Ca -0.06 -1.80 -0.01 0.00 -0.13 0.00 0.00 55.73 53.73 1pcx s ARG 208 Cb -0.15 -1.81 0.57 0.00 -1.56 0.00 0.00 34.95 32.01 1pcx s ARG 208 CO 0.04 -1.22 1.70 -1.35 -0.81 0.00 0.00 175.30 173.65 1pcx h PRO 209 N 6.62 0.35 -6.61 5.12 0.11 -1.90 -3.42 132.00 132.27 1pcx h PRO 209 Ca 0.07 -0.02 -0.67 0.00 0.11 0.00 0.00 66.00 65.49 1pcx h PRO 209 Cb 0.93 -0.08 -0.17 0.00 0.11 0.00 0.00 31.00 31.79 1pcx h PRO 209 CO 0.38 0.23 -0.77 0.71 -0.21 0.00 0.00 178.00 178.35 1pcx s TYR 210 N -5.98 2.66 -0.80 0.65 1.51 -1.26 -5.05 117.35 109.08 1pcx s TYR 210 Ca -0.12 -0.20 0.11 0.00 -1.01 0.00 0.00 57.07 55.85 1pcx s TYR 210 Cb 0.23 -1.41 -0.06 0.00 -0.11 0.00 0.00 41.96 40.61 1pcx s TYR 210 CO 0.77 0.40 0.58 1.04 -1.11 0.00 0.00 175.55 177.23 1pcx n GLN 211 N 0.82 2.65 -3.84 -0.62 1.13 -1.26 -4.93 117.38 111.33 1pcx n GLN 211 Ca -0.14 -0.33 -0.09 0.00 -1.94 0.00 0.00 57.00 54.49 1pcx n GLN 211 Cb 0.52 -1.08 -0.06 0.00 0.11 0.00 0.00 30.24 29.73 1pcx n GLN 211 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1pcx s HIS 212 N -1.78 0.14 0.35 1.08 3.76 -1.26 -4.74 115.29 112.83 1pcx s HIS 212 Ca 0.07 -0.52 0.17 0.00 -0.15 0.00 0.00 55.06 54.63 1pcx s HIS 212 Cb 0.09 0.04 0.88 0.00 1.11 0.00 0.00 32.58 34.70 1pcx s HIS 212 CO 0.38 -0.66 1.87 -0.07 -0.85 0.00 0.00 174.74 175.40 1pcx h LEU 213 N 2.56 0.00 -8.39 0.89 3.38 -1.22 -3.42 115.31 109.12 1pcx h LEU 213 Ca -0.33 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.97 1pcx h LEU 213 Cb 1.22 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.66 1pcx h LEU 213 CO 0.50 0.31 -0.86 -0.31 0.09 0.00 0.00 178.44 178.18 1pcx s TYR 214 N -4.11 2.61 0.20 1.13 1.51 -1.26 -1.96 117.35 115.46 1pcx s TYR 214 Ca -0.02 -0.98 0.35 0.00 -1.01 0.00 0.00 57.07 55.40 1pcx s TYR 214 Cb 0.14 -1.74 1.71 0.00 -0.11 0.00 0.00 41.96 41.96 1pcx s TYR 214 CO 0.69 -0.39 2.05 -0.44 -1.11 0.00 0.00 175.55 176.35 1pcx h ASP 215 N 6.72 0.00 0.44 2.29 3.32 -1.95 -2.60 116.42 124.63 1pcx h ASP 215 Ca -0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1pcx h ASP 215 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1pcx h ASP 215 CO 0.49 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.11 1pcx n ASP 216 N -2.83 0.00 -4.62 6.45 5.68 -1.26 -4.28 116.55 115.69 1pcx n ASP 216 Ca -0.01 0.10 -0.39 0.00 -0.50 0.00 0.00 54.79 53.99 1pcx n ASP 216 Cb 0.16 -0.33 -0.08 0.00 -1.14 0.00 0.00 41.12 39.72 1pcx n ASP 216 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1pcx s ILE 217 N -2.66 5.16 -1.61 2.12 1.01 -0.98 -4.57 121.20 119.67 1pcx s ILE 217 Ca 0.17 0.66 -0.08 0.00 0.00 0.00 0.00 60.65 61.40 1pcx s ILE 217 Cb 0.13 -3.73 0.07 0.00 0.01 0.00 0.00 42.46 38.95 1pcx s ILE 217 CO 0.32 0.16 0.34 -0.67 0.00 0.00 0.00 174.94 175.09 1pcx n ASP 218 N 5.21 -0.56 -4.68 3.58 -0.08 -1.26 -4.83 116.55 113.93 1pcx n ASP 218 Ca -0.08 -1.17 -0.31 0.00 -1.51 0.00 0.00 54.79 51.73 1pcx n ASP 218 Cb 0.51 -2.09 0.15 0.00 2.34 0.00 0.00 41.12 42.02 1pcx n ASP 218 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 1pcx s PRO 219 N -7.11 1.16 0.78 -0.67 0.02 -1.26 -5.02 135.00 122.90 1pcx s PRO 219 Ca 0.29 1.27 -0.12 0.00 0.02 0.00 0.00 61.00 62.46 1pcx s PRO 219 Cb -0.16 -1.76 0.06 0.00 0.02 0.00 0.00 34.50 32.65 1pcx s PRO 219 CO 0.97 -2.44 1.15 -2.14 -0.33 0.00 0.00 177.00 174.21 1pcx s PRO 220 N -4.74 2.20 0.29 5.54 0.02 -1.26 -4.99 135.00 132.06 1pcx s PRO 220 Ca 0.65 0.19 -0.29 0.00 0.02 0.00 0.00 61.00 61.57 1pcx s PRO 220 Cb -0.21 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.24 1pcx s PRO 220 CO 0.58 -1.44 1.39 -2.14 -0.33 0.00 0.00 177.00 175.06 1pcx s PRO 221 N -5.51 4.29 -0.18 5.54 0.02 -1.26 -4.81 135.00 133.09 1pcx s PRO 221 Ca 0.61 2.28 -0.04 0.00 0.02 0.00 0.00 61.00 63.87 1pcx s PRO 221 Cb -0.11 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.30 1pcx s PRO 221 CO 0.50 -0.34 -0.02 -1.17 -0.33 0.00 0.00 177.00 175.64 1pcx s LEU 222 N -1.00 3.24 0.03 -5.54 2.96 -1.26 -1.00 118.68 116.11 1pcx s LEU 222 Ca 0.55 -0.17 -0.15 0.00 -0.22 0.00 0.00 54.13 54.14 1pcx s LEU 222 Cb -0.41 -1.80 -0.06 0.00 0.50 0.00 0.00 46.19 44.42 1pcx s LEU 222 CO 0.48 0.12 0.45 0.20 -1.32 0.00 0.00 176.35 176.28 1pcx s ASN 223 N 0.67 6.86 0.00 3.68 -0.87 0.26 -4.98 114.94 120.56 1pcx s ASN 223 Ca -0.01 1.03 0.00 0.00 -1.57 0.00 0.00 52.86 52.31 1pcx s ASN 223 Cb -0.14 -2.27 0.00 0.00 -0.02 0.00 0.00 41.25 38.81 1pcx s ASN 223 CO 0.02 0.29 0.00 -0.62 -2.57 0.00 0.00 177.10 174.22 1pcx n GLU 224 N 1.68 2.11 0.23 -0.60 1.02 -1.26 -1.60 120.64 122.22 1pcx n GLU 224 Ca -0.12 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.20 1pcx n GLU 224 Cb 0.52 -0.83 0.86 0.00 -0.02 0.00 0.00 31.44 31.97 1pcx n GLU 224 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1pcx h ASP 225 N 0.00 0.00 0.00 1.62 3.04 -1.94 -3.46 116.42 115.68 1pcx h ASP 225 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1pcx h ASP 225 Cb 0.05 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.34 1pcx h ASP 225 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 1pcx n GLY 226 N -1.33 1.00 3.66 7.15 0.00 -1.26 -5.03 105.19 109.37 1pcx n GLY 226 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1pcx n GLY 226 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pcx s LEU 227 N 0.00 4.15 -0.50 0.99 2.96 -1.26 -4.71 118.68 120.31 1pcx s LEU 227 Ca 0.00 1.66 0.04 0.00 -0.22 0.00 0.00 54.13 55.61 1pcx s LEU 227 Cb 0.00 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 43.28 1pcx s LEU 227 CO 0.00 -0.82 0.24 -0.63 -1.32 0.00 0.00 176.35 173.83 1pcx s ILE 228 N 3.67 2.44 -0.10 6.68 -1.09 -1.26 -5.07 121.20 126.46 1pcx s ILE 228 Ca 0.56 -3.18 -0.30 0.00 -2.23 0.00 0.00 60.65 55.50 1pcx s ILE 228 Cb -0.22 -2.70 -0.03 0.00 -1.58 0.00 0.00 42.46 37.93 1pcx s ILE 228 CO 0.17 -0.80 1.41 -0.69 -1.23 0.00 0.00 174.94 173.80 1pcx s VAL 229 N -0.15 3.97 -0.01 2.92 1.01 -1.26 -5.00 120.40 121.89 1pcx s VAL 229 Ca 0.17 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1pcx s VAL 229 Cb -0.25 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.36 1pcx s VAL 229 CO -0.01 -0.09 0.00 -0.13 0.00 0.00 0.00 175.10 174.88 1pcx s ARG 230 N 3.50 0.04 0.30 2.72 0.52 -1.26 -1.60 118.95 123.17 1pcx s ARG 230 Ca 0.62 0.04 -0.30 0.00 -0.52 0.00 0.00 55.73 55.57 1pcx s ARG 230 Cb -0.27 -0.12 -0.13 0.00 0.52 0.00 0.00 34.95 34.95 1pcx s ARG 230 CO 0.21 -0.04 1.39 0.00 0.02 0.00 0.00 175.30 176.89 1pcx h ARG 232 N 3.58 0.45 0.00 0.00 3.08 -1.95 -2.81 114.38 116.72 1pcx h ARG 232 Ca -0.46 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.47 1pcx h ARG 232 Cb 1.27 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1pcx h ARG 232 CO 0.70 0.55 0.00 -2.13 -1.07 0.00 0.00 179.97 178.03 1pcx n ARG 233 N -4.23 0.00 0.27 0.04 0.63 -1.26 -4.59 116.66 107.52 1pcx n ARG 233 Ca 0.00 0.24 0.17 0.00 -0.92 0.00 0.00 57.85 57.35 1pcx n ARG 233 Cb 0.30 -0.70 0.68 0.00 0.45 0.00 0.00 32.46 33.19 1pcx n ARG 233 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pcx n ARG 235 N -3.03 -0.61 -1.38 0.00 5.12 -1.06 -5.02 116.66 110.68 1pcx n ARG 235 Ca 0.01 0.47 -0.31 0.00 -1.93 0.00 0.00 57.85 56.09 1pcx n ARG 235 Cb 0.30 -4.15 0.08 0.00 -1.16 0.00 0.00 32.46 27.52 1pcx n ARG 235 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1pcx s SER 236 N -2.47 4.75 0.23 0.55 0.01 -1.26 -4.65 113.70 110.86 1pcx s SER 236 Ca 0.00 1.80 -0.08 0.00 1.31 0.00 0.00 55.95 58.98 1pcx s SER 236 Cb 0.00 -2.52 -0.07 0.00 0.21 0.00 0.00 66.02 63.64 1pcx s SER 236 CO 0.00 -1.87 0.54 -0.31 0.41 0.00 0.00 173.24 172.01 1pcx s TYR 237 N -2.87 3.44 0.23 2.43 1.51 -1.26 -2.08 117.35 118.74 1pcx s TYR 237 Ca 0.61 0.81 -0.31 0.00 -1.01 0.00 0.00 57.07 57.17 1pcx s TYR 237 Cb -0.17 -2.22 -0.14 0.00 -0.11 0.00 0.00 41.96 39.33 1pcx s TYR 237 CO 0.54 0.26 1.36 -0.12 -1.11 0.00 0.00 175.55 176.49 1pcx n MET 238 N -0.26 1.90 -4.02 -0.62 0.00 -0.63 -4.96 117.12 108.54 1pcx n MET 238 Ca -0.00 0.68 -0.10 0.00 -0.00 0.00 0.00 57.70 58.28 1pcx n MET 238 Cb 0.53 -2.30 -0.06 0.00 0.00 0.00 0.00 33.22 31.38 1pcx n MET 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1pcx s ASN 239 N 0.22 -0.05 0.00 6.12 2.20 -1.23 -4.75 114.94 117.45 1pcx s ASN 239 Ca 0.68 -0.98 0.00 0.00 -0.94 0.00 0.00 52.86 51.63 1pcx s ASN 239 Cb -0.68 0.54 0.00 0.00 -2.00 0.00 0.00 41.25 39.11 1pcx s ASN 239 CO 0.50 -1.07 0.79 -2.65 -2.94 0.00 0.00 177.10 171.74 1pcx n PRO 240 N -0.35 0.00 -0.23 3.55 -0.02 -1.21 -2.13 135.00 134.60 1pcx n PRO 240 Ca -0.02 0.31 0.06 0.00 -2.02 0.00 0.00 63.50 61.83 1pcx n PRO 240 Cb 0.63 -1.56 0.18 0.00 -0.02 0.00 0.00 33.50 32.72 1pcx n PRO 240 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1pcx n PHE 241 N -1.29 0.57 -2.09 6.00 3.01 -1.26 -2.18 117.46 120.22 1pcx n PHE 241 Ca 0.00 -0.57 -0.29 0.00 1.01 0.00 0.00 57.45 57.59 1pcx n PHE 241 Cb 0.06 -0.08 0.02 0.00 -0.01 0.00 0.00 39.48 39.47 1pcx n PHE 241 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1pcx s VAL 242 N -1.35 4.15 -0.11 -4.37 -7.23 -0.91 -4.50 120.40 106.08 1pcx s VAL 242 Ca 0.27 0.48 0.03 0.00 -1.81 0.00 0.00 61.98 60.95 1pcx s VAL 242 Cb 0.16 -3.66 0.01 0.00 0.56 0.00 0.00 36.38 33.45 1pcx s VAL 242 CO 0.15 -0.81 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.05 1pcx s THR 243 N -3.14 1.71 -0.38 5.32 2.01 -1.12 -4.76 115.64 115.29 1pcx s THR 243 Ca 0.55 -0.79 -0.23 0.00 0.31 0.00 0.00 61.69 61.53 1pcx s THR 243 Cb -0.11 -1.52 0.01 0.00 0.01 0.00 0.00 72.50 70.89 1pcx s THR 243 CO 0.50 0.48 0.77 -0.36 -0.69 0.00 0.00 174.62 175.32 1pcx s PHE 244 N 0.73 3.09 0.24 4.92 2.99 -1.26 -0.57 117.98 128.11 1pcx s PHE 244 Ca -0.11 0.45 0.10 0.00 0.00 0.00 0.00 56.93 57.37 1pcx s PHE 244 Cb -0.16 -3.43 -0.04 0.00 0.00 0.00 0.00 43.02 39.39 1pcx s PHE 244 CO 0.02 -0.78 -0.07 0.96 -0.00 0.00 0.00 175.22 175.35 1pcx s ILE 245 N 3.10 3.17 -0.60 0.64 -4.36 0.24 -4.50 121.20 118.90 1pcx s ILE 245 Ca 0.30 -1.90 -0.07 0.00 -0.26 0.00 0.00 60.65 58.72 1pcx s ILE 245 Cb -0.13 -2.64 0.01 0.00 1.25 0.00 0.00 42.46 40.95 1pcx s ILE 245 CO 0.18 -0.28 0.65 -0.62 0.24 0.00 0.00 174.94 175.11 1pcx n GLU 246 N -0.48 -1.79 -2.69 0.37 1.02 -1.26 -2.70 120.64 113.10 1pcx n GLU 246 Ca -0.08 1.77 -0.17 0.00 -0.02 0.00 0.00 57.16 58.66 1pcx n GLU 246 Cb 0.58 -5.71 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 1pcx n GLU 246 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1pcx n GLN 247 N -1.11 -2.75 -3.03 3.49 1.13 -1.26 -0.91 117.38 112.94 1pcx n GLN 247 Ca 0.05 0.70 -0.22 0.00 -1.94 0.00 0.00 57.00 55.59 1pcx n GLN 247 Cb 0.48 -5.37 0.02 0.00 0.11 0.00 0.00 30.24 25.48 1pcx n GLN 247 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pcx n GLY 248 N -1.02 -0.51 0.10 1.08 0.00 -1.22 -4.84 105.19 98.79 1pcx n GLY 248 Ca -0.14 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1pcx n GLY 248 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pcx n ARG 249 N -3.74 0.67 -4.14 1.61 1.74 -0.09 -4.91 116.66 107.81 1pcx n ARG 249 Ca -0.09 0.19 -0.15 0.00 -0.77 0.00 0.00 57.85 57.02 1pcx n ARG 249 Cb 0.60 -1.67 -0.12 0.00 -1.02 0.00 0.00 32.46 30.25 1pcx n ARG 249 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pcx s ARG 250 N -2.55 0.64 -0.07 5.56 0.52 -1.10 -1.11 118.95 120.84 1pcx s ARG 250 Ca -0.13 -0.73 0.03 0.00 -0.52 0.00 0.00 55.73 54.38 1pcx s ARG 250 Cb 0.07 -0.51 -0.02 0.00 0.52 0.00 0.00 34.95 35.01 1pcx s ARG 250 CO 0.79 0.11 -0.14 1.67 0.02 0.00 0.00 175.30 177.75 1pcx s TRP 251 N -1.13 2.71 -0.27 -0.53 1.48 0.94 -0.59 118.94 121.55 1pcx s TRP 251 Ca -0.05 -0.27 -0.19 0.00 -1.06 0.00 0.00 56.10 54.53 1pcx s TRP 251 Cb -0.09 -1.67 -0.02 0.00 -1.16 0.00 0.00 33.47 30.53 1pcx s TRP 251 CO 0.01 0.09 0.56 0.50 -4.06 0.00 0.00 176.95 174.05 1pcx s ARG 252 N -0.50 4.03 0.13 3.25 3.52 0.27 -0.29 118.95 129.36 1pcx s ARG 252 Ca 0.07 0.34 -0.31 0.00 -0.13 0.00 0.00 55.73 55.69 1pcx s ARG 252 Cb -0.12 -3.67 -0.09 0.00 -1.56 0.00 0.00 34.95 29.51 1pcx s ARG 252 CO 0.02 -0.42 1.56 0.00 -0.81 0.00 0.00 175.30 175.65 1pcx n ASN 254 N 4.39 0.00 -0.04 0.00 6.94 -1.26 0.31 115.26 125.60 1pcx n ASN 254 Ca 0.14 0.50 -0.21 0.00 -0.02 0.00 0.00 54.58 54.99 1pcx n ASN 254 Cb 0.40 -0.50 -0.13 0.00 -2.36 0.00 0.00 39.78 37.18 1pcx n ASN 254 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1pcx n PHE 255 N -1.50 0.92 -1.45 -2.53 3.01 -1.26 -4.63 117.46 110.01 1pcx n PHE 255 Ca 0.06 0.21 0.05 0.00 1.01 0.00 0.00 57.45 58.79 1pcx n PHE 255 Cb 0.30 -1.12 0.07 0.00 -0.01 0.00 0.00 39.48 38.73 1pcx n PHE 255 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pcx n ARG 257 N -0.75 -1.30 -2.66 0.00 1.74 0.15 -4.93 116.66 108.91 1pcx n ARG 257 Ca 0.08 0.48 -0.37 0.00 -0.77 0.00 0.00 57.85 57.28 1pcx n ARG 257 Cb 0.65 -4.54 -0.05 0.00 -1.02 0.00 0.00 32.46 27.50 1pcx n ARG 257 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1pcx s LEU 258 N -2.76 4.22 -0.26 0.55 2.96 -1.26 -4.61 118.68 117.53 1pcx s LEU 258 Ca 0.00 1.94 -0.25 0.00 -0.22 0.00 0.00 54.13 55.60 1pcx s LEU 258 Cb 0.00 -4.12 -0.00 0.00 0.50 0.00 0.00 46.19 42.56 1pcx s LEU 258 CO 0.00 -0.30 0.84 0.00 -1.32 0.00 0.00 176.35 175.57 1pcx s ALA 259 N -1.66 3.62 0.16 5.97 0.00 -1.26 -1.37 121.76 127.22 1pcx s ALA 259 Ca 0.55 -0.17 0.09 0.00 0.00 0.00 0.00 51.96 52.42 1pcx s ALA 259 Cb -0.20 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1pcx s ALA 259 CO 0.25 -1.00 -0.15 -0.80 0.00 0.00 0.00 175.76 174.06 1pcx s ASN 260 N 1.40 3.97 -0.13 0.00 0.01 0.60 -4.96 114.94 115.84 1pcx s ASN 260 Ca 0.35 -0.62 -0.23 0.00 -0.71 0.00 0.00 52.86 51.66 1pcx s ASN 260 Cb -0.15 -0.57 -0.03 0.00 0.41 0.00 0.00 41.25 40.91 1pcx s ASN 260 CO 0.08 0.14 0.70 -1.81 -1.51 0.00 0.00 177.10 174.70 1pcx s ASP 261 N -2.53 6.88 -0.22 -1.22 1.01 -1.26 -0.04 116.67 119.30 1pcx s ASP 261 Ca 0.21 1.07 -0.29 0.00 0.71 0.00 0.00 52.55 54.25 1pcx s ASP 261 Cb -0.09 -2.40 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 1pcx s ASP 261 CO 0.12 -0.21 1.37 -0.69 0.21 0.00 0.00 175.17 175.97 1pcx s VAL 262 N 1.38 4.07 0.26 -1.27 1.01 -0.27 -4.86 120.40 120.73 1pcx s VAL 262 Ca 0.35 1.26 -0.31 0.00 0.00 0.00 0.00 61.98 63.27 1pcx s VAL 262 Cb -0.17 -3.96 -0.13 0.00 0.00 0.00 0.00 36.38 32.12 1pcx s VAL 262 CO 0.14 -0.28 1.44 -2.65 0.00 0.00 0.00 175.10 173.75 1pcx n PRO 263 N 7.09 2.20 0.27 2.72 -0.02 -1.26 -4.80 135.00 141.20 1pcx n PRO 263 Ca 0.15 0.78 0.18 0.00 -2.02 0.00 0.00 63.50 62.60 1pcx n PRO 263 Cb 0.45 -2.46 0.89 0.00 -0.02 0.00 0.00 33.50 32.36 1pcx n PRO 263 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1pcx h MET 264 N 4.19 0.00 0.00 -0.52 4.05 -1.96 0.06 114.93 120.75 1pcx h MET 264 Ca -0.46 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 1pcx h MET 264 Cb 1.26 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 1pcx h MET 264 CO 0.75 0.00 0.00 0.37 0.23 0.00 0.00 176.91 178.26 1pcx h GLN 265 N 0.00 0.00 -0.74 0.39 4.15 -2.02 -2.99 115.11 113.91 1pcx h GLN 265 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1pcx h GLN 265 Cb 0.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1pcx h GLN 265 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 178.83 175.57 1pcx n MET 266 N -2.41 0.82 -0.93 1.69 2.81 0.01 -3.51 117.12 115.60 1pcx n MET 266 Ca 0.01 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.91 1pcx n MET 266 Cb 0.20 -1.37 0.01 0.00 -0.71 0.00 0.00 33.22 31.34 1pcx n MET 266 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1pcx n ASP 267 N 0.03 0.38 -4.75 7.83 8.00 -1.13 -3.77 116.55 123.15 1pcx n ASP 267 Ca 0.00 -1.96 -0.38 0.00 0.71 0.00 0.00 54.79 53.16 1pcx n ASP 267 Cb 0.18 -0.22 -0.06 0.00 -0.02 0.00 0.00 41.12 41.01 1pcx n ASP 267 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1pcx s GLN 268 N 0.00 4.27 -1.03 -1.24 -0.21 -1.23 -4.91 119.66 115.31 1pcx s GLN 268 Ca 0.14 0.49 -0.19 0.00 0.02 0.00 0.00 55.36 55.82 1pcx s GLN 268 Cb 0.16 -3.38 -0.08 0.00 1.00 0.00 0.00 33.01 30.70 1pcx s GLN 268 CO -0.07 0.28 2.03 -2.30 -2.12 0.00 0.00 175.29 173.12 1pcx n PRO 274 N 3.20 2.00 -4.02 2.91 -0.02 -1.26 -4.97 135.00 132.84 1pcx n PRO 274 Ca -0.08 -2.14 -0.08 0.00 -2.02 0.00 0.00 63.50 59.18 1pcx n PRO 274 Cb 0.52 -3.07 -0.09 0.00 -0.02 0.00 0.00 33.50 30.84 1pcx n PRO 274 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1pcx s LYS 275 N 4.37 0.73 0.27 -0.52 1.02 -1.26 -5.18 119.74 119.18 1pcx s LYS 275 Ca 0.54 -1.16 0.04 0.00 0.02 0.00 0.00 55.97 55.41 1pcx s LYS 275 Cb 0.14 0.26 0.04 0.00 -0.52 0.00 0.00 37.83 37.75 1pcx s LYS 275 CO 0.04 -0.19 0.32 -1.13 -0.92 0.00 0.00 175.35 173.48 1pcx n SER 276 N 0.02 1.29 0.23 2.83 3.41 -1.26 -4.98 113.62 115.16 1pcx n SER 276 Ca -0.13 -1.79 0.08 0.00 -0.26 0.00 0.00 58.87 56.77 1pcx n SER 276 Cb 0.62 -0.14 0.56 0.00 -0.26 0.00 0.00 64.21 64.98 1pcx n SER 276 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1pcx h ARG 277 N 0.00 0.00 0.00 4.33 0.11 -1.91 -2.75 114.38 114.16 1pcx h ARG 277 Ca -0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.94 1pcx h ARG 277 Cb 0.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.68 1pcx h ARG 277 CO 0.21 0.22 0.00 0.66 0.10 0.00 0.00 179.97 181.16 1pcx n TYR 278 N -3.83 0.00 0.31 4.08 4.02 -1.26 -2.61 117.16 117.88 1pcx n TYR 278 Ca -0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.93 1pcx n TYR 278 Cb 0.31 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.71 1pcx n TYR 278 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1pcx n ASP 279 N -0.50 2.23 -4.74 7.72 8.00 -1.04 -4.79 116.55 123.44 1pcx n ASP 279 Ca 0.00 -1.62 -0.40 0.00 0.71 0.00 0.00 54.79 53.48 1pcx n ASP 279 Cb 0.00 -0.06 -0.05 0.00 -0.02 0.00 0.00 41.12 40.99 1pcx n ASP 279 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1pcx s ARG 280 N -0.98 4.48 0.21 -1.24 0.52 -1.07 -4.96 118.95 115.91 1pcx s ARG 280 Ca 0.16 1.03 -0.11 0.00 -0.52 0.00 0.00 55.73 56.30 1pcx s ARG 280 Cb 0.11 -3.39 0.28 0.00 0.52 0.00 0.00 34.95 32.47 1pcx s ARG 280 CO 0.15 0.20 1.67 -0.91 0.02 0.00 0.00 175.30 176.43 1pcx h ASN 281 N 6.05 -0.25 -0.30 0.23 2.35 -1.93 0.58 115.58 122.31 1pcx h ASN 281 Ca -0.43 0.15 0.09 0.00 -0.55 0.00 0.00 56.30 55.55 1pcx h ASN 281 Cb 1.20 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.82 1pcx h ASN 281 CO 0.72 -0.10 0.51 1.05 -1.65 0.00 0.00 177.43 177.96 1pcx h GLU 282 N 0.13 0.00 0.00 0.81 9.09 -1.88 0.64 114.58 123.36 1pcx h GLU 282 Ca 0.31 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.67 1pcx h GLU 282 Cb 0.50 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 1pcx h GLU 282 CO -0.51 0.00 -1.85 -0.89 0.05 0.00 0.00 179.01 175.81 1pcx n ILE 283 N -3.32 0.21 0.02 -1.06 5.41 0.06 -3.36 119.36 117.32 1pcx n ILE 283 Ca 0.05 -0.45 -0.22 0.00 1.00 0.00 0.00 62.75 63.13 1pcx n ILE 283 Cb 0.64 -0.02 -0.14 0.00 -0.71 0.00 0.00 39.64 39.41 1pcx n ILE 283 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1pcx h LYS 284 N 0.00 0.28 -6.24 0.38 1.57 0.58 -3.38 116.57 109.76 1pcx h LYS 284 Ca -0.08 -0.48 -0.59 0.00 -1.87 0.00 0.00 60.65 57.62 1pcx h LYS 284 Cb 1.02 0.18 -0.09 0.00 0.08 0.00 0.00 32.23 33.42 1pcx h LYS 284 CO 0.00 1.23 -0.60 0.00 -0.57 0.00 0.00 179.45 179.52 1pcx h ALA 286 N 2.63 0.30 -3.04 0.00 0.00 -1.45 -3.40 119.26 114.31 1pcx h ALA 286 Ca -0.47 -1.26 -0.70 0.00 0.00 0.00 0.00 54.91 52.47 1pcx h ALA 286 Cb 1.20 0.60 -0.28 0.00 0.00 0.00 0.00 17.79 19.30 1pcx h ALA 286 CO 0.62 1.12 -0.57 0.08 0.00 0.00 0.00 179.25 180.50 1pcx s VAL 287 N -2.54 3.97 0.30 0.00 1.01 -1.26 -1.62 120.40 120.25 1pcx s VAL 287 Ca -0.20 -1.16 -0.04 0.00 0.00 0.00 0.00 61.98 60.57 1pcx s VAL 287 Cb 0.06 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 1pcx s VAL 287 CO 0.79 -0.26 0.42 0.00 0.00 0.00 0.00 175.10 176.05 1pcx s MET 288 N 1.42 1.71 0.12 2.72 0.00 -0.96 -4.35 119.30 119.96 1pcx s MET 288 Ca -0.00 -1.62 0.02 0.00 0.00 0.00 0.00 55.69 54.09 1pcx s MET 288 Cb -0.20 0.42 -0.04 0.00 0.00 0.00 0.00 34.83 35.01 1pcx s MET 288 CO 0.03 -0.69 -0.05 -2.00 0.00 0.00 0.00 175.02 172.31 1pcx s GLU 289 N -3.48 0.91 0.12 3.16 2.12 -0.17 -0.91 118.70 120.45 1pcx s GLU 289 Ca 0.30 -1.39 0.04 0.00 0.36 0.00 0.00 54.97 54.29 1pcx s GLU 289 Cb 0.01 -0.24 -0.04 0.00 0.26 0.00 0.00 34.13 34.12 1pcx s GLU 289 CO 0.16 -0.04 -0.11 0.71 -0.54 0.00 0.00 175.26 175.45 1pcx s TYR 290 N -3.62 1.19 -0.47 5.30 1.51 0.34 -0.58 117.35 121.04 1pcx s TYR 290 Ca 0.15 -0.66 -0.18 0.00 -1.01 0.00 0.00 57.07 55.37 1pcx s TYR 290 Cb 0.05 -0.63 0.05 0.00 -0.11 0.00 0.00 41.96 41.32 1pcx s TYR 290 CO -0.03 0.06 0.53 -1.64 -1.11 0.00 0.00 175.55 173.36 1pcx s MET 291 N -3.01 3.11 0.20 -0.62 -1.94 -0.63 -1.70 119.30 114.71 1pcx s MET 291 Ca 0.09 -0.87 -0.32 0.00 -1.71 0.00 0.00 55.69 52.89 1pcx s MET 291 Cb -0.02 -4.05 -0.11 0.00 2.01 0.00 0.00 34.83 32.66 1pcx s MET 291 CO 0.01 -1.05 1.66 0.00 -0.01 0.00 0.00 175.02 175.62 1pcx s ALA 292 N 2.34 3.87 1.17 3.03 0.00 0.67 -4.54 121.76 128.31 1pcx s ALA 292 Ca 0.13 1.51 -0.16 0.00 0.00 0.00 0.00 51.96 53.44 1pcx s ALA 292 Cb -0.19 -3.67 0.27 0.00 0.00 0.00 0.00 23.12 19.54 1pcx s ALA 292 CO 0.12 -0.87 1.06 -2.14 0.00 0.00 0.00 175.76 173.93 1pcx s PRO 293 N 1.07 -0.98 0.53 0.00 0.02 -1.26 -4.80 135.00 129.59 1pcx s PRO 293 Ca 0.72 0.29 0.23 0.00 0.02 0.00 0.00 61.00 62.27 1pcx s PRO 293 Cb -0.47 -1.59 1.39 0.00 0.02 0.00 0.00 34.50 33.84 1pcx s PRO 293 CO 0.33 -3.62 2.05 1.57 -0.33 0.00 0.00 177.00 176.99 1pcx h LYS 294 N -2.53 0.00 -0.83 5.54 2.10 -1.94 -2.64 116.57 116.28 1pcx h LYS 294 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 1pcx h LYS 294 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1pcx h LYS 294 CO 0.44 0.00 0.00 -0.85 -2.00 0.00 0.00 179.45 177.04 1pcx n GLU 295 N -4.35 1.08 0.00 0.07 0.00 -1.26 -2.77 120.64 113.41 1pcx n GLU 295 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.14 1pcx n GLU 295 Cb 0.42 -1.43 0.00 0.00 0.00 0.00 0.00 31.44 30.43 1pcx n GLU 295 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1pcx n TYR 296 N -0.06 0.00 -4.30 -1.84 4.02 -0.99 -4.99 117.16 109.00 1pcx n TYR 296 Ca 0.01 -0.40 -0.20 0.00 -0.01 0.00 0.00 57.90 57.30 1pcx n TYR 296 Cb 0.23 -0.04 -0.16 0.00 -0.02 0.00 0.00 39.34 39.35 1pcx n TYR 296 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1pcx s THR 297 N -0.79 0.67 -0.15 -0.72 -4.23 -1.12 -5.03 115.64 104.27 1pcx s THR 297 Ca 0.00 -0.27 -0.05 0.00 -1.18 0.00 0.00 61.69 60.19 1pcx s THR 297 Cb 0.00 -0.62 -0.24 0.00 1.34 0.00 0.00 72.50 72.98 1pcx s THR 297 CO 0.00 0.23 0.24 0.18 -0.54 0.00 0.00 174.62 174.72 1pcx n LEU 298 N 3.51 2.69 -4.47 4.79 4.77 -1.26 -4.97 117.00 122.05 1pcx n LEU 298 Ca -0.20 0.15 -0.23 0.00 -0.03 0.00 0.00 56.01 55.70 1pcx n LEU 298 Cb 0.54 -1.07 -0.11 0.00 -2.33 0.00 0.00 43.42 40.45 1pcx n LEU 298 CO 0.24 0.86 -0.31 0.00 -1.33 0.00 0.00 177.39 176.85 1pcx s ARG 299 N -2.55 1.67 0.16 3.23 1.70 -1.26 -5.12 118.95 116.78 1pcx s ARG 299 Ca -0.25 -1.90 -0.30 0.00 -0.47 0.00 0.00 55.73 52.80 1pcx s ARG 299 Cb 0.07 -1.12 -0.08 0.00 -0.57 0.00 0.00 34.95 33.25 1pcx s ARG 299 CO 0.73 -0.07 1.29 -0.65 -1.08 0.00 0.00 175.30 175.51 1pcx s GLN 300 N -3.79 4.40 0.06 3.89 -0.21 -1.26 -4.92 119.66 117.83 1pcx s GLN 300 Ca 0.34 1.98 -0.30 0.00 0.02 0.00 0.00 55.36 57.39 1pcx s GLN 300 Cb 0.07 -3.24 -0.16 0.00 1.00 0.00 0.00 33.01 30.68 1pcx s GLN 300 CO 0.15 -0.26 0.74 -2.30 -2.12 0.00 0.00 175.29 171.49 1pcx n PRO 301 N 3.10 0.00 -2.26 2.91 -0.02 -1.26 -4.92 135.00 132.55 1pcx n PRO 301 Ca 0.07 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.26 1pcx n PRO 301 Cb 0.44 -1.12 -0.00 0.00 -0.02 0.00 0.00 33.50 32.79 1pcx n PRO 301 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1pcx s PRO 302 N -0.32 3.63 0.43 0.52 0.02 -1.26 -4.89 135.00 133.12 1pcx s PRO 302 Ca 0.69 0.56 -0.15 0.00 0.02 0.00 0.00 61.00 62.12 1pcx s PRO 302 Cb -0.98 -2.21 -0.08 0.00 0.02 0.00 0.00 34.50 31.25 1pcx s PRO 302 CO 0.48 -0.37 0.85 -2.14 -0.33 0.00 0.00 177.00 175.50 1pcx s PRO 303 N -4.82 3.93 -0.01 5.54 0.02 -1.26 -4.49 135.00 133.92 1pcx s PRO 303 Ca 0.52 0.74 -0.30 0.00 0.02 0.00 0.00 61.00 61.99 1pcx s PRO 303 Cb -0.11 -2.29 -0.05 0.00 0.02 0.00 0.00 34.50 32.07 1pcx s PRO 303 CO 0.47 -0.07 1.34 0.00 -0.33 0.00 0.00 177.00 178.41 1pcx s ALA 304 N -2.36 3.55 -0.10 -1.55 0.00 -1.26 -4.87 121.76 115.17 1pcx s ALA 304 Ca 0.56 0.82 0.04 0.00 0.00 0.00 0.00 51.96 53.38 1pcx s ALA 304 Cb -0.10 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1pcx s ALA 304 CO 0.26 -0.85 -0.24 0.99 0.00 0.00 0.00 175.76 175.93 1pcx s THR 305 N 2.26 2.04 -0.07 0.00 2.01 -1.26 -0.57 115.64 120.05 1pcx s THR 305 Ca 0.62 -1.01 0.05 0.00 0.31 0.00 0.00 61.69 61.66 1pcx s THR 305 Cb -0.30 -1.77 -0.00 0.00 0.01 0.00 0.00 72.50 70.44 1pcx s THR 305 CO 0.25 0.56 -0.22 -0.31 -0.69 0.00 0.00 174.62 174.21 1pcx s TYR 306 N 0.36 2.28 -0.22 4.92 1.51 0.76 -1.56 117.35 125.39 1pcx s TYR 306 Ca -0.19 -0.77 0.01 0.00 -1.01 0.00 0.00 57.07 55.12 1pcx s TYR 306 Cb -0.18 -1.52 0.05 0.00 -0.11 0.00 0.00 41.96 40.21 1pcx s TYR 306 CO 0.09 -0.27 -0.08 0.00 -1.11 0.00 0.00 175.55 174.17 1pcx s PHE 308 N 1.36 3.10 -0.63 0.00 0.40 -0.40 -0.08 117.98 121.73 1pcx s PHE 308 Ca -0.04 -0.07 -0.18 0.00 -0.60 0.00 0.00 56.93 56.03 1pcx s PHE 308 Cb -0.18 -3.21 0.11 0.00 0.51 0.00 0.00 43.02 40.26 1pcx s PHE 308 CO -0.07 -0.79 0.74 -1.17 0.70 0.00 0.00 175.22 174.63 1pcx s LEU 309 N 2.64 5.48 -0.13 -0.37 0.20 0.50 -0.13 118.68 126.88 1pcx s LEU 309 Ca 0.20 -1.58 -0.05 0.00 0.69 0.00 0.00 54.13 53.39 1pcx s LEU 309 Cb -0.15 -2.30 -0.04 0.00 -0.43 0.00 0.00 46.19 43.27 1pcx s LEU 309 CO 0.17 -1.07 0.05 -0.63 -0.29 0.00 0.00 176.35 174.59 1pcx s ILE 310 N 2.49 4.75 -0.62 6.68 1.01 0.31 -1.64 121.20 134.18 1pcx s ILE 310 Ca 0.13 -0.07 -0.27 0.00 0.00 0.00 0.00 60.65 60.44 1pcx s ILE 310 Cb -0.22 -3.07 0.03 0.00 0.01 0.00 0.00 42.46 39.22 1pcx s ILE 310 CO 0.04 0.56 1.19 -0.62 0.00 0.00 0.00 174.94 176.11 1pcx s ASP 311 N -0.49 6.36 -0.20 3.58 2.15 -0.62 0.45 116.67 127.90 1pcx s ASP 311 Ca 0.10 -0.09 0.15 0.00 0.43 0.00 0.00 52.55 53.13 1pcx s ASP 311 Cb -0.12 -2.54 0.78 0.00 -0.30 0.00 0.00 42.92 40.74 1pcx s ASP 311 CO 0.02 -1.55 1.70 1.33 -0.17 0.00 0.00 175.17 176.50 1pcx n VAL 312 N 6.55 2.49 -1.01 1.11 0.24 -0.00 -4.74 118.33 122.96 1pcx n VAL 312 Ca 0.06 -1.32 -0.29 0.00 -2.04 0.00 0.00 64.34 60.76 1pcx n VAL 312 Cb 0.49 -0.19 0.20 0.00 -1.47 0.00 0.00 33.84 32.87 1pcx n VAL 312 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1pcx s SER 313 N -0.78 1.94 0.28 -1.34 1.04 -1.20 -4.81 113.70 108.82 1pcx s SER 313 Ca 0.53 1.16 -0.03 0.00 0.48 0.00 0.00 55.95 58.09 1pcx s SER 313 Cb 0.39 -1.81 0.39 0.00 0.10 0.00 0.00 66.02 65.08 1pcx s SER 313 CO 0.18 -3.55 1.92 -0.61 0.98 0.00 0.00 173.24 172.15 1pcx h GLN 314 N -2.18 1.08 -0.37 4.02 4.15 -1.23 -2.29 115.11 118.29 1pcx h GLN 314 Ca -0.56 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 58.78 1pcx h GLN 314 Cb 1.33 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.78 1pcx h GLN 314 CO 0.54 0.77 0.25 0.77 -1.93 0.00 0.00 178.83 179.22 1pcx h SER 315 N 1.09 0.36 0.49 -0.69 0.02 -1.90 -2.08 113.55 110.83 1pcx h SER 315 Ca 0.28 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 61.08 1pcx h SER 315 Cb -0.02 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1pcx h SER 315 CO -0.05 0.25 -0.64 -1.28 -1.14 0.00 0.00 176.83 173.97 1pcx h SER 316 N 0.42 0.17 0.12 3.07 0.87 -1.70 -2.52 113.55 113.97 1pcx h SER 316 Ca 0.15 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1pcx h SER 316 Cb 0.08 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1pcx h SER 316 CO -0.03 0.76 -0.06 0.40 -0.53 0.00 0.00 176.83 177.37 1pcx h ILE 317 N 0.10 1.07 -0.34 2.23 1.08 -1.25 -2.05 117.51 118.36 1pcx h ILE 317 Ca -0.01 -1.10 -0.05 0.00 -0.39 0.00 0.00 64.86 63.31 1pcx h ILE 317 Cb 1.15 1.73 -0.02 0.00 -3.07 0.00 0.00 36.82 36.61 1pcx h ILE 317 CO 0.09 0.25 0.02 0.11 -0.69 0.00 0.00 178.15 177.93 1pcx h LYS 318 N -0.71 0.52 0.00 2.37 1.57 -1.54 -2.03 116.57 116.75 1pcx h LYS 318 Ca -0.02 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 1pcx h LYS 318 Cb 0.53 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1pcx h LYS 318 CO 0.03 0.53 -0.41 0.66 -0.57 0.00 0.00 179.45 179.69 1pcx h SER 319 N 0.50 0.00 0.00 0.86 4.64 -1.54 -3.44 113.55 114.57 1pcx h SER 319 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1pcx h SER 319 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1pcx h SER 319 CO 0.01 0.41 0.00 0.61 -0.87 0.00 0.00 176.83 176.99 1pcx n GLY 320 N 0.89 0.74 0.33 -0.77 0.00 -0.76 0.19 105.19 105.81 1pcx n GLY 320 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 1pcx n GLY 320 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pcx h LEU 321 N 0.00 0.86 0.43 0.99 5.85 -1.65 0.15 115.31 121.94 1pcx h LEU 321 Ca 0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1pcx h LEU 321 Cb 0.00 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1pcx h LEU 321 CO 0.00 0.55 -0.20 0.25 -0.34 0.00 0.00 178.44 178.69 1pcx h LEU 322 N 0.99 -0.48 0.21 2.25 5.85 -1.80 0.67 115.31 123.00 1pcx h LEU 322 Ca 0.39 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.11 1pcx h LEU 322 Cb 0.19 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1pcx h LEU 322 CO -0.18 -0.32 -0.53 0.00 -0.34 0.00 0.00 178.44 177.07 1pcx h ALA 323 N -0.04 -1.04 -1.00 1.25 0.00 -1.73 0.30 119.26 117.01 1pcx h ALA 323 Ca -0.06 -0.13 0.19 0.00 0.00 0.00 0.00 54.91 54.91 1pcx h ALA 323 Cb 0.46 0.87 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 1pcx h ALA 323 CO 0.10 -1.15 0.61 1.15 0.00 0.00 0.00 179.25 179.96 1pcx h THR 324 N -0.82 0.72 -0.07 0.00 2.02 -0.92 0.27 112.91 114.11 1pcx h THR 324 Ca -0.02 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 1pcx h THR 324 Cb 0.79 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1pcx h THR 324 CO -0.23 0.14 -0.06 0.74 0.37 0.00 0.00 175.52 176.48 1pcx h THR 325 N 0.75 1.35 0.94 3.16 2.02 -0.04 -1.45 112.91 119.65 1pcx h THR 325 Ca 0.56 -1.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 1pcx h THR 325 Cb 0.89 1.96 0.01 0.00 -1.74 0.00 0.00 68.15 69.27 1pcx h THR 325 CO -0.35 0.32 -0.46 0.40 0.37 0.00 0.00 175.52 175.80 1pcx h ILE 326 N -0.24 0.06 -0.85 3.11 1.08 0.52 -1.66 117.51 119.54 1pcx h ILE 326 Ca 0.01 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.70 1pcx h ILE 326 Cb 0.54 0.06 -0.14 0.00 -3.07 0.00 0.00 36.82 34.22 1pcx h ILE 326 CO 0.02 0.00 0.21 0.78 -0.69 0.00 0.00 178.15 178.46 1pcx h ASN 327 N -1.28 -0.03 -0.41 1.72 2.35 -0.57 0.11 115.58 117.48 1pcx h ASN 327 Ca -0.13 0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1pcx h ASN 327 Cb 0.98 0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 1pcx h ASN 327 CO 0.21 -0.13 0.14 0.74 -1.65 0.00 0.00 177.43 176.74 1pcx h THR 328 N 0.21 1.21 -0.59 2.81 2.02 -1.04 0.11 112.91 117.64 1pcx h THR 328 Ca 0.52 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 67.07 1pcx h THR 328 Cb 1.00 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 68.25 1pcx h THR 328 CO -0.63 0.24 0.35 -0.07 0.37 0.00 0.00 175.52 175.78 1pcx h LEU 329 N 0.51 0.56 -0.91 2.58 3.38 -0.06 -1.54 115.31 119.83 1pcx h LEU 329 Ca 0.13 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1pcx h LEU 329 Cb 0.23 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 1pcx h LEU 329 CO -0.01 0.39 0.56 -0.07 0.09 0.00 0.00 178.44 179.40 1pcx h LEU 330 N 0.69 0.87 -0.29 1.67 4.07 -0.31 -0.79 115.31 121.20 1pcx h LEU 330 Ca 0.24 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1pcx h LEU 330 Cb 0.05 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.64 1pcx h LEU 330 CO -0.12 0.53 0.00 0.00 -1.08 0.00 0.00 178.44 177.77 1pcx n GLN 331 N -4.62 1.20 -0.66 1.13 6.02 0.35 -4.07 117.38 116.74 1pcx n GLN 331 Ca 0.14 -0.29 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 1pcx n GLN 331 Cb 0.22 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.04 1pcx n GLN 331 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pcx n ASN 332 N -0.60 0.10 0.26 1.08 3.02 -0.53 -4.83 115.26 113.76 1pcx n ASN 332 Ca 0.20 -1.83 0.18 0.00 -0.03 0.00 0.00 54.58 53.10 1pcx n ASN 332 Cb 0.17 -0.16 0.91 0.00 -0.61 0.00 0.00 39.78 40.09 1pcx n ASN 332 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1pcx h LEU 333 N 0.14 0.00 -1.54 3.41 3.38 -1.34 0.13 115.31 119.49 1pcx h LEU 333 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1pcx h LEU 333 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1pcx h LEU 333 CO 0.00 0.00 -0.19 0.47 0.09 0.00 0.00 178.44 178.81 1pcx n ASP 334 N -2.75 2.58 0.10 -0.43 8.00 -1.26 -4.06 116.55 118.72 1pcx n ASP 334 Ca -0.02 -1.79 0.11 0.00 0.71 0.00 0.00 54.79 53.81 1pcx n ASP 334 Cb 0.09 0.19 -0.01 0.00 -0.02 0.00 0.00 41.12 41.38 1pcx n ASP 334 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pcx n SER 335 N 0.78 0.81 -4.73 -2.24 7.64 0.45 -4.86 113.62 111.47 1pcx n SER 335 Ca 0.12 0.31 -0.42 0.00 1.01 0.00 0.00 58.87 59.89 1pcx n SER 335 Cb 0.54 0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 64.23 1pcx n SER 335 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1pcx s ILE 336 N -3.37 3.09 0.17 0.44 1.01 -1.09 -4.25 121.20 117.19 1pcx s ILE 336 Ca -0.01 0.84 -0.34 0.00 0.00 0.00 0.00 60.65 61.15 1pcx s ILE 336 Cb 0.10 -3.54 -0.14 0.00 0.01 0.00 0.00 42.46 38.89 1pcx s ILE 336 CO 0.80 0.10 1.54 -2.65 0.00 0.00 0.00 174.94 174.73 1pcx n PRO 337 N 3.14 2.09 -2.70 2.79 -0.02 -1.26 -4.89 135.00 134.15 1pcx n PRO 337 Ca 0.09 0.75 -0.06 0.00 -2.02 0.00 0.00 63.50 62.26 1pcx n PRO 337 Cb 0.42 -2.50 0.08 0.00 -0.02 0.00 0.00 33.50 31.48 1pcx n PRO 337 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1pcx n ASN 338 N 3.17 -0.24 0.29 2.55 2.85 -1.26 -4.74 115.26 117.87 1pcx n ASN 338 Ca 0.16 -2.44 0.17 0.00 -0.11 0.00 0.00 54.58 52.37 1pcx n ASN 338 Cb 0.29 0.24 0.92 0.00 1.24 0.00 0.00 39.78 42.47 1pcx n ASN 338 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 1pcx h HIS 339 N 2.25 0.00 0.00 1.20 3.86 -1.91 -2.02 115.15 118.53 1pcx h HIS 339 Ca -0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1pcx h HIS 339 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 1pcx h HIS 339 CO 0.27 0.00 -0.01 -0.40 0.86 0.00 0.00 177.93 178.65 1pcx n ASP 340 N -2.77 1.95 0.00 2.45 5.68 -1.26 -4.97 116.55 117.63 1pcx n ASP 340 Ca -0.02 -2.18 0.00 0.00 -0.50 0.00 0.00 54.79 52.09 1pcx n ASP 340 Cb 0.16 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1pcx n ASP 340 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1pcx n GLU 341 N -0.67 -1.56 -0.00 0.11 1.02 -0.76 -4.81 120.64 113.97 1pcx n GLU 341 Ca 0.03 0.39 0.10 0.00 -0.02 0.00 0.00 57.16 57.66 1pcx n GLU 341 Cb 0.35 -4.69 -0.13 0.00 -0.02 0.00 0.00 31.44 26.95 1pcx n GLU 341 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1pcx n ARG 342 N 0.23 0.38 -1.51 3.49 1.74 -1.26 -4.75 116.66 114.98 1pcx n ARG 342 Ca 0.00 -0.07 -0.59 0.00 -0.77 0.00 0.00 57.85 56.42 1pcx n ARG 342 Cb 0.39 -1.48 -0.08 0.00 -1.02 0.00 0.00 32.46 30.27 1pcx n ARG 342 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1pcx n THR 343 N -1.75 0.00 -5.21 0.55 -1.04 -1.26 -4.66 114.28 100.92 1pcx n THR 343 Ca 0.01 -0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.71 1pcx n THR 343 Cb 0.40 -0.07 -0.15 0.00 -1.82 0.00 0.00 70.33 68.69 1pcx n THR 343 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1pcx s ARG 344 N 0.11 2.23 0.19 -2.82 0.52 0.27 -2.17 118.95 117.28 1pcx s ARG 344 Ca 0.91 -0.87 0.10 0.00 -0.52 0.00 0.00 55.73 55.35 1pcx s ARG 344 Cb -1.25 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 1pcx s ARG 344 CO 0.57 0.56 -0.21 -1.50 0.02 0.00 0.00 175.30 174.74 1pcx s ILE 345 N -0.61 2.15 0.02 1.52 2.07 0.85 -0.17 121.20 127.03 1pcx s ILE 345 Ca 0.10 -2.01 -0.06 0.00 -1.41 0.00 0.00 60.65 57.26 1pcx s ILE 345 Cb -0.10 -2.02 -0.01 0.00 0.13 0.00 0.00 42.46 40.46 1pcx s ILE 345 CO -0.00 -0.22 0.12 -0.55 -1.91 0.00 0.00 174.94 172.38 1pcx s SER 346 N -2.73 0.11 -0.06 4.50 0.15 0.14 -0.77 113.70 115.04 1pcx s SER 346 Ca 0.19 -0.39 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 1pcx s SER 346 Cb -0.07 0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.49 1pcx s SER 346 CO 0.09 -0.45 0.00 -0.63 1.20 0.00 0.00 173.24 173.45 1pcx s ILE 347 N -2.07 0.32 -0.17 6.45 1.01 -1.26 -1.27 121.20 124.20 1pcx s ILE 347 Ca -0.09 0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.70 1pcx s ILE 347 Cb -0.04 -0.48 0.02 0.00 0.01 0.00 0.00 42.46 41.97 1pcx s ILE 347 CO -0.02 0.24 -0.20 -0.76 0.00 0.00 0.00 174.94 174.20 1pcx s LEU 348 N 1.85 2.10 -0.13 2.97 1.43 0.81 -4.30 118.68 123.42 1pcx s LEU 348 Ca 0.03 -0.64 -0.08 0.00 -1.03 0.00 0.00 54.13 52.41 1pcx s LEU 348 Cb -0.12 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1pcx s LEU 348 CO -0.04 0.00 0.16 0.00 0.23 0.00 0.00 176.35 176.70 1pcx s VAL 350 N -0.74 0.15 0.00 0.00 1.01 0.17 -0.16 120.40 120.83 1pcx s VAL 350 Ca 0.14 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1pcx s VAL 350 Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1pcx s VAL 350 CO 0.03 0.12 0.00 -0.90 0.00 0.00 0.00 175.10 174.35 1pcx n ASP 351 N 3.91 0.00 -0.07 3.32 5.68 -1.26 -0.82 116.55 127.31 1pcx n ASP 351 Ca -0.24 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.17 1pcx n ASP 351 Cb 0.52 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.74 1pcx n ASP 351 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1pcx n ASN 352 N 0.00 0.71 -4.21 -1.12 2.04 -1.21 -1.35 115.26 110.12 1pcx n ASN 352 Ca 0.00 -0.50 -0.12 0.00 -0.44 0.00 0.00 54.58 53.52 1pcx n ASN 352 Cb 0.00 0.30 -0.10 0.00 -2.53 0.00 0.00 39.78 37.45 1pcx n ASN 352 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1pcx s ALA 353 N -2.87 1.20 -0.38 -2.53 0.00 -1.26 -4.83 121.76 111.08 1pcx s ALA 353 Ca 0.14 -1.47 -0.12 0.00 0.00 0.00 0.00 51.96 50.51 1pcx s ALA 353 Cb 0.18 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.63 1pcx s ALA 353 CO 0.67 -0.25 0.23 0.42 0.00 0.00 0.00 175.76 176.83 1pcx s ILE 354 N -3.60 4.85 -0.33 0.00 1.01 -1.06 -4.41 121.20 117.65 1pcx s ILE 354 Ca 0.18 -0.71 -0.19 0.00 0.00 0.00 0.00 60.65 59.94 1pcx s ILE 354 Cb 0.05 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 1pcx s ILE 354 CO -0.00 -0.21 0.54 -1.00 0.00 0.00 0.00 174.94 174.27 1pcx s HIS 355 N 1.61 3.19 0.61 3.97 3.76 0.77 -2.96 115.29 126.24 1pcx s HIS 355 Ca 0.04 0.31 0.05 0.00 -0.15 0.00 0.00 55.06 55.30 1pcx s HIS 355 Cb -0.19 -2.94 0.09 0.00 1.11 0.00 0.00 32.58 30.65 1pcx s HIS 355 CO 0.08 -0.51 0.83 0.71 -0.85 0.00 0.00 174.74 175.00 1pcx s TYR 356 N 2.45 1.74 -0.18 1.40 1.51 -0.39 -1.95 117.35 121.94 1pcx s TYR 356 Ca 0.21 -0.48 -0.10 0.00 -1.01 0.00 0.00 57.07 55.69 1pcx s TYR 356 Cb -0.15 -2.54 0.06 0.00 -0.11 0.00 0.00 41.96 39.21 1pcx s TYR 356 CO 0.13 -1.24 0.44 -0.06 -1.11 0.00 0.00 175.55 173.70 1pcx s PHE 357 N -2.80 -0.64 -0.12 2.71 0.40 -1.26 -1.96 117.98 114.31 1pcx s PHE 357 Ca 0.62 1.36 -0.14 0.00 -0.60 0.00 0.00 56.93 58.17 1pcx s PHE 357 Cb -0.06 0.29 -0.05 0.00 0.51 0.00 0.00 43.02 43.71 1pcx s PHE 357 CO 0.40 -0.35 0.34 0.15 0.70 0.00 0.00 175.22 176.46 1pcx s LYS 358 N 1.37 4.16 -0.21 0.44 1.02 -0.70 -4.48 119.74 121.35 1pcx s LYS 358 Ca -0.09 0.21 0.01 0.00 0.02 0.00 0.00 55.97 56.13 1pcx s LYS 358 Cb -0.08 -3.38 0.04 0.00 -0.52 0.00 0.00 37.83 33.89 1pcx s LYS 358 CO -0.13 0.33 -0.15 0.42 -0.92 0.00 0.00 175.35 174.91 1pcx s ILE 359 N 0.14 1.96 0.69 2.17 1.01 0.52 -4.34 121.20 123.36 1pcx s ILE 359 Ca 0.20 -1.14 -0.11 0.00 0.00 0.00 0.00 60.65 59.60 1pcx s ILE 359 Cb -0.14 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.41 1pcx s ILE 359 CO 0.07 0.28 1.06 -2.84 0.00 0.00 0.00 174.94 173.51 1pcx s PRO 360 N 1.27 2.96 0.33 2.79 0.02 -1.26 -4.71 135.00 136.40 1pcx s PRO 360 Ca -0.01 0.82 -0.28 0.00 0.02 0.00 0.00 61.00 61.56 1pcx s PRO 360 Cb -0.16 -2.00 -0.10 0.00 0.02 0.00 0.00 34.50 32.26 1pcx s PRO 360 CO -0.09 -1.05 1.21 -0.51 -0.33 0.00 0.00 177.00 176.23 1pcx s LEU 361 N -5.48 4.42 0.27 -5.54 1.43 -1.26 -4.71 118.68 107.80 1pcx s LEU 361 Ca 0.58 2.49 0.01 0.00 -1.03 0.00 0.00 54.13 56.17 1pcx s LEU 361 Cb -0.13 -3.72 0.58 0.00 0.03 0.00 0.00 46.19 42.95 1pcx s LEU 361 CO 0.54 -0.45 1.76 0.44 0.23 0.00 0.00 176.35 178.88 1pcx h ASP 362 N 3.35 0.58 -0.37 2.29 3.32 -1.09 -1.71 116.42 122.80 1pcx h ASP 362 Ca -0.48 0.09 0.11 0.00 0.02 0.00 0.00 57.03 56.77 1pcx h ASP 362 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1pcx h ASP 362 CO 0.65 0.23 0.35 0.77 -1.72 0.00 0.00 179.24 179.52 1pcx h SER 363 N 0.65 0.00 -0.81 6.45 4.64 -1.90 -3.05 113.55 119.53 1pcx h SER 363 Ca 0.49 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.28 1pcx h SER 363 Cb 0.72 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.57 1pcx h SER 363 CO -0.37 0.00 0.69 -1.84 -0.87 0.00 0.00 176.83 174.44 1pcx n GLU 364 N -3.91 2.32 -3.70 4.77 0.28 -0.64 -5.27 120.64 114.49 1pcx n GLU 364 Ca 0.06 -2.63 -0.20 0.00 -0.16 0.00 0.00 57.16 54.23 1pcx n GLU 364 Cb 0.52 -2.03 -0.01 0.00 1.43 0.00 0.00 31.44 31.35 1pcx n GLU 364 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1pcx s ASN 365 N -1.07 6.15 0.06 -1.84 0.01 -1.15 -4.97 114.94 112.13 1pcx s ASN 365 Ca 0.52 -0.04 0.05 0.00 -0.71 0.00 0.00 52.86 52.68 1pcx s ASN 365 Cb 0.41 -1.56 -0.04 0.00 0.41 0.00 0.00 41.25 40.47 1pcx s ASN 365 CO 0.00 -0.26 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.64 1pcx s ILE 373 N -2.09 3.63 -0.40 0.60 1.01 -1.26 -5.23 121.20 117.46 1pcx s ILE 373 Ca 0.40 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1pcx s ILE 373 Cb -0.09 -2.66 0.11 0.00 0.01 0.00 0.00 42.46 39.83 1pcx s ILE 373 CO 0.30 0.23 0.16 0.20 0.00 0.00 0.00 174.94 175.83 1pcx s ASN 374 N -1.91 4.97 -0.16 3.58 0.01 -1.26 -5.07 114.94 115.10 1pcx s ASN 374 Ca 0.21 -2.21 -0.11 0.00 -0.71 0.00 0.00 52.86 50.04 1pcx s ASN 374 Cb -0.11 -1.73 -0.05 0.00 0.41 0.00 0.00 41.25 39.77 1pcx s ASN 374 CO 0.12 -0.44 0.20 -0.32 -1.51 0.00 0.00 177.10 175.15 1pcx s MET 375 N 0.86 4.06 -0.31 -0.60 -2.45 -1.26 -1.72 119.30 117.87 1pcx s MET 375 Ca 0.11 -0.07 0.03 0.00 -1.25 0.00 0.00 55.69 54.50 1pcx s MET 375 Cb -0.21 -3.37 0.08 0.00 1.25 0.00 0.00 34.83 32.58 1pcx s MET 375 CO -0.06 0.39 -0.01 1.41 1.05 0.00 0.00 175.02 177.80 1pcx s MET 376 N 0.06 1.90 0.34 4.11 1.75 -0.83 -4.96 119.30 121.68 1pcx s MET 376 Ca 0.13 -1.61 -0.15 0.00 -1.25 0.00 0.00 55.69 52.81 1pcx s MET 376 Cb -0.12 -3.10 -0.09 0.00 2.84 0.00 0.00 34.83 34.36 1pcx s MET 376 CO 0.02 -0.77 0.76 -0.51 -0.65 0.00 0.00 175.02 173.87 1pcx s ASP 377 N 1.07 6.75 -0.25 1.11 1.11 -1.26 -1.26 116.67 123.94 1pcx s ASP 377 Ca 0.01 1.29 -0.03 0.00 0.18 0.00 0.00 52.55 54.01 1pcx s ASP 377 Cb -0.20 -2.38 0.11 0.00 1.07 0.00 0.00 42.92 41.53 1pcx s ASP 377 CO -0.06 -0.25 0.25 -0.63 1.18 0.00 0.00 175.17 175.66 1pcx s ILE 378 N -2.05 -0.34 -0.45 0.77 1.01 -1.16 -4.99 121.20 114.00 1pcx s ILE 378 Ca 0.54 -0.33 0.23 0.00 0.00 0.00 0.00 60.65 61.10 1pcx s ILE 378 Cb -0.10 -0.83 0.02 0.00 0.01 0.00 0.00 42.46 41.55 1pcx s ILE 378 CO 0.19 -0.36 1.18 0.00 0.00 0.00 0.00 174.94 175.95 1pcx h ALA 379 N 8.30 0.53 -0.77 9.38 0.00 -1.90 -2.80 119.26 131.99 1pcx h ALA 379 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.37 1pcx h ALA 379 Cb 1.11 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1pcx h ALA 379 CO 0.32 0.00 1.01 0.34 0.00 0.00 0.00 179.25 180.92 1pcx s ASP 380 N -4.77 5.50 0.00 0.00 2.15 -1.26 -4.78 116.67 113.52 1pcx s ASP 380 Ca 0.03 -1.06 0.16 0.00 0.43 0.00 0.00 52.55 52.11 1pcx s ASP 380 Cb 0.11 -2.57 0.94 0.00 -0.30 0.00 0.00 42.92 41.10 1pcx s ASP 380 CO 0.76 -2.45 1.37 0.18 -0.17 0.00 0.00 175.17 174.86 1pcx n LEU 381 N 12.67 0.00 -1.48 -1.34 4.77 -1.26 -1.57 117.00 128.79 1pcx n LEU 381 Ca 0.40 0.03 0.10 0.00 -0.03 0.00 0.00 56.01 56.51 1pcx n LEU 381 Cb 0.48 -0.03 0.34 0.00 -2.33 0.00 0.00 43.42 41.87 1pcx n LEU 381 CO 0.63 -0.02 0.80 -0.62 -1.33 0.00 0.00 177.39 176.85 1pcx n GLU 382 N -1.03 3.39 0.00 3.23 -0.58 -1.26 -4.85 120.64 119.53 1pcx n GLU 382 Ca 0.11 -2.80 0.00 0.00 -0.42 0.00 0.00 57.16 54.06 1pcx n GLU 382 Cb 0.06 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.16 1pcx n GLU 382 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1pcx n GLU 383 N 1.25 3.87 0.15 3.49 4.07 -0.61 -5.25 120.64 127.61 1pcx n GLU 383 Ca 0.25 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.35 1pcx n GLU 383 Cb 0.79 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.17 1pcx n GLU 383 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1pcx n PRO 389 N 0.00 0.00 -1.71 5.31 -0.02 -1.26 -4.86 135.00 132.46 1pcx n PRO 389 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 1pcx n PRO 389 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 1pcx n PRO 389 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pcx n ASN 390 N -3.12 4.03 0.00 2.55 4.13 -1.26 -0.70 115.26 120.88 1pcx n ASN 390 Ca 0.00 1.04 0.00 0.00 1.68 0.00 0.00 54.58 57.30 1pcx n ASN 390 Cb 0.00 -1.57 0.00 0.00 -1.54 0.00 0.00 39.78 36.67 1pcx n ASN 390 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1pcx n SER 391 N 4.48 -2.40 -0.08 6.41 7.64 -1.26 -4.83 113.62 123.58 1pcx n SER 391 Ca 0.17 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.91 1pcx n SER 391 Cb 0.36 -0.40 -0.07 0.00 -1.01 0.00 0.00 64.21 63.09 1pcx n SER 391 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1pcx n MET 392 N -2.80 0.38 -3.73 1.43 2.81 0.12 -0.35 117.12 114.97 1pcx n MET 392 Ca 0.00 0.12 -0.37 0.00 -1.81 0.00 0.00 57.70 55.64 1pcx n MET 392 Cb 0.00 -1.22 -0.11 0.00 -0.71 0.00 0.00 33.22 31.18 1pcx n MET 392 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1pcx s VAL 393 N -2.31 3.50 0.40 2.03 1.01 -1.08 -4.38 120.40 119.57 1pcx s VAL 393 Ca -0.22 -1.94 0.08 0.00 0.00 0.00 0.00 61.98 59.90 1pcx s VAL 393 Cb 0.07 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1pcx s VAL 393 CO 0.33 -0.67 0.28 0.68 0.00 0.00 0.00 175.10 175.73 1pcx s VAL 394 N 1.20 2.67 -0.12 2.92 -7.23 0.05 -4.82 120.40 115.07 1pcx s VAL 394 Ca 0.07 -1.49 -0.29 0.00 -1.81 0.00 0.00 61.98 58.45 1pcx s VAL 394 Cb -0.23 -3.01 -0.02 0.00 0.56 0.00 0.00 36.38 33.68 1pcx s VAL 394 CO -0.03 -0.04 1.20 -0.55 -0.31 0.00 0.00 175.10 175.37 1pcx s SER 395 N -4.02 7.02 0.34 4.85 0.15 -1.26 -0.11 113.70 120.68 1pcx s SER 395 Ca 0.44 1.70 0.02 0.00 0.70 0.00 0.00 55.95 58.81 1pcx s SER 395 Cb -0.01 -2.55 0.60 0.00 -1.71 0.00 0.00 66.02 62.35 1pcx s SER 395 CO 0.26 -0.66 2.00 0.25 1.20 0.00 0.00 173.24 176.28 1pcx h LEU 396 N 8.98 0.75 0.01 3.45 5.85 -1.76 -1.26 115.31 131.33 1pcx h LEU 396 Ca -0.29 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1pcx h LEU 396 Cb 1.12 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1pcx h LEU 396 CO 0.93 0.56 -0.00 0.50 -0.34 0.00 0.00 178.44 180.08 1pcx h LYS 397 N 0.88 -0.01 0.00 1.25 3.64 -1.85 -2.31 116.57 118.17 1pcx h LYS 397 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1pcx h LYS 397 Cb -0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1pcx h LYS 397 CO -0.05 0.83 0.00 0.00 -2.27 0.00 0.00 179.45 177.97 1pcx n ALA 398 N -2.55 1.51 -1.80 5.00 0.00 -1.16 -3.05 120.51 118.46 1pcx n ALA 398 Ca -0.09 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.44 1pcx n ALA 398 Cb 0.41 -1.30 0.06 0.00 0.00 0.00 0.00 19.45 18.62 1pcx n ALA 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pcx h ARG 400 N 0.25 -0.26 -0.81 0.00 9.65 -1.33 0.12 114.38 122.00 1pcx h ARG 400 Ca -0.04 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.90 1pcx h ARG 400 Cb 1.34 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.93 1pcx h ARG 400 CO 0.02 -0.17 0.51 0.37 2.80 0.00 0.00 179.97 183.49 1pcx h GLN 401 N -0.27 0.95 -0.51 0.20 5.75 -1.88 -1.57 115.11 117.77 1pcx h GLN 401 Ca 0.13 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.51 1pcx h GLN 401 Cb 0.55 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 1pcx h GLN 401 CO -0.70 0.63 0.08 -0.91 -2.65 0.00 0.00 178.83 175.28 1pcx h ASN 402 N 0.98 0.82 -0.67 -0.69 2.35 -1.64 0.21 115.58 116.94 1pcx h ASN 402 Ca 0.33 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1pcx h ASN 402 Cb 0.05 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 1pcx h ASN 402 CO -0.13 0.87 0.41 0.40 -1.65 0.00 0.00 177.43 177.33 1pcx h ILE 403 N 0.73 1.19 -0.27 2.81 2.04 -0.43 -0.05 117.51 123.54 1pcx h ILE 403 Ca 0.16 -0.41 -0.11 0.00 1.00 0.00 0.00 64.86 65.49 1pcx h ILE 403 Cb 0.40 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1pcx h ILE 403 CO 0.01 0.20 -0.28 -0.08 0.00 0.00 0.00 178.15 178.00 1pcx h GLU 404 N 0.93 0.66 -0.59 2.37 4.81 -0.79 -1.55 114.58 120.42 1pcx h GLU 404 Ca 0.24 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1pcx h GLU 404 Cb -0.04 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1pcx h GLU 404 CO -0.05 0.96 0.35 1.15 -0.73 0.00 0.00 179.01 180.69 1pcx h THR 405 N 0.39 1.18 0.58 0.32 2.02 0.08 -1.98 112.91 115.49 1pcx h THR 405 Ca 0.04 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1pcx h THR 405 Cb 0.85 0.39 0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1pcx h THR 405 CO 0.07 0.19 -0.28 0.25 0.37 0.00 0.00 175.52 176.12 1pcx h LEU 406 N 0.80 -0.66 -1.68 2.58 5.85 -1.00 -2.75 115.31 118.45 1pcx h LEU 406 Ca 0.21 -0.03 0.31 0.00 0.84 0.00 0.00 57.88 59.20 1pcx h LEU 406 Cb -0.00 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 1pcx h LEU 406 CO -0.04 -0.35 0.76 -0.07 -0.34 0.00 0.00 178.44 178.40 1pcx h LEU 407 N -0.97 0.22 -0.51 2.25 3.38 -1.16 0.16 115.31 118.68 1pcx h LEU 407 Ca -0.08 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 1pcx h LEU 407 Cb 0.66 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1pcx h LEU 407 CO 0.13 0.03 -0.74 0.74 0.09 0.00 0.00 178.44 178.69 1pcx h THR 408 N 0.19 1.51 0.06 0.22 2.02 -1.17 -3.33 112.91 112.41 1pcx h THR 408 Ca 0.58 -2.49 -0.11 0.00 0.77 0.00 0.00 66.41 65.17 1pcx h THR 408 Cb 1.89 2.34 0.01 0.00 -1.74 0.00 0.00 68.15 70.66 1pcx h THR 408 CO -0.16 0.71 -0.46 0.11 0.37 0.00 0.00 175.52 176.10 1pcx h LYS 409 N 0.03 0.20 -0.33 6.66 1.57 -0.42 -3.39 116.57 120.87 1pcx h LYS 409 Ca -0.01 -0.30 0.03 0.00 -1.87 0.00 0.00 60.65 58.50 1pcx h LYS 409 Cb 1.31 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.69 1pcx h LYS 409 CO 0.10 1.10 -0.20 -0.89 -0.57 0.00 0.00 179.45 179.00 1pcx n ILE 410 N -4.34 -0.23 -0.34 1.86 5.41 -0.74 0.60 119.36 121.58 1pcx n ILE 410 Ca -0.12 0.98 0.29 0.00 1.00 0.00 0.00 62.75 64.90 1pcx n ILE 410 Cb 0.65 -1.23 0.61 0.00 -0.71 0.00 0.00 39.64 38.97 1pcx n ILE 410 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1pcx h PRO 411 N 0.00 0.22 -0.28 0.38 0.11 -1.76 0.14 132.00 130.81 1pcx h PRO 411 Ca 0.05 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.96 1pcx h PRO 411 Cb 0.14 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1pcx h PRO 411 CO -0.31 0.14 -0.56 1.96 -0.21 0.00 0.00 178.00 179.02 1pcx h GLN 412 N 0.23 0.87 0.56 1.05 4.20 -0.09 -2.92 115.11 119.01 1pcx h GLN 412 Ca 0.61 -0.56 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1pcx h GLN 412 Cb 1.90 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.73 1pcx h GLN 412 CO -0.21 1.19 -0.47 0.82 -0.67 0.00 0.00 178.83 179.50 1pcx h ILE 413 N 0.67 0.00 -0.30 2.54 2.04 -0.46 -2.86 117.51 119.14 1pcx h ILE 413 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1pcx h ILE 413 Cb 1.17 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1pcx h ILE 413 CO 0.12 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.76 1pcx n PHE 414 N -5.30 1.06 -0.21 1.37 3.01 -1.14 -4.44 117.46 111.80 1pcx n PHE 414 Ca -0.12 -0.37 0.00 0.00 1.01 0.00 0.00 57.45 57.98 1pcx n PHE 414 Cb 0.44 -0.30 0.12 0.00 -0.01 0.00 0.00 39.48 39.72 1pcx n PHE 414 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1pcx h GLN 415 N 2.05 0.41 -0.53 -1.08 4.15 -1.30 -1.75 115.11 117.07 1pcx h GLN 415 Ca 0.00 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.31 1pcx h GLN 415 Cb 1.24 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.79 1pcx h GLN 415 CO 0.25 0.27 0.09 -1.13 -1.93 0.00 0.00 178.83 176.38 1pcx n SER 416 N -4.99 4.68 -4.70 -0.69 3.41 -1.26 -5.00 113.62 105.06 1pcx n SER 416 Ca 0.09 -3.12 -0.43 0.00 -0.26 0.00 0.00 58.87 55.14 1pcx n SER 416 Cb 0.29 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 63.54 1pcx n SER 416 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1pcx n ASN 417 N -0.10 3.63 -0.20 4.04 2.85 -0.66 -4.86 115.26 119.95 1pcx n ASN 417 Ca 0.31 1.08 0.03 0.00 -0.11 0.00 0.00 54.58 55.90 1pcx n ASN 417 Cb 1.17 -1.52 0.01 0.00 1.24 0.00 0.00 39.78 40.68 1pcx n ASN 417 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1pcx n LEU 418 N 3.46 1.25 -4.74 1.20 4.77 -1.26 -4.58 117.00 117.10 1pcx n LEU 418 Ca 0.15 -0.88 -0.41 0.00 -0.03 0.00 0.00 56.01 54.84 1pcx n LEU 418 Cb 0.33 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1pcx n LEU 418 CO 0.64 0.26 0.90 -0.63 -1.33 0.00 0.00 177.39 177.22 1pcx s ILE 419 N -0.79 3.39 -0.19 -0.08 1.01 -1.26 -4.86 121.20 118.42 1pcx s ILE 419 Ca 0.06 1.23 0.17 0.00 0.00 0.00 0.00 60.65 62.11 1pcx s ILE 419 Cb 0.05 -3.78 0.51 0.00 0.01 0.00 0.00 42.46 39.25 1pcx s ILE 419 CO 0.12 0.22 1.40 0.35 0.00 0.00 0.00 174.94 177.03 1pcx n THR 420 N 2.12 2.24 -3.74 2.92 -2.24 -1.26 -0.83 114.28 113.49 1pcx n THR 420 Ca 0.03 -1.89 -0.31 0.00 -2.27 0.00 0.00 64.05 59.61 1pcx n THR 420 Cb 0.44 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 1pcx n THR 420 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1pcx s ASN 421 N -1.99 6.44 -0.35 3.42 0.01 -1.26 -4.90 114.94 116.32 1pcx s ASN 421 Ca 0.41 0.48 0.02 0.00 -0.71 0.00 0.00 52.86 53.07 1pcx s ASN 421 Cb 0.33 -2.05 0.15 0.00 0.41 0.00 0.00 41.25 40.10 1pcx s ASN 421 CO 0.09 0.08 0.36 0.12 -1.51 0.00 0.00 177.10 176.23 1pcx s PHE 422 N -1.64 -0.40 -1.47 2.20 5.36 -1.04 -3.34 117.98 117.65 1pcx s PHE 422 Ca 0.39 -0.59 -0.13 0.00 -0.96 0.00 0.00 56.93 55.64 1pcx s PHE 422 Cb -0.12 -0.39 -0.02 0.00 -0.34 0.00 0.00 43.02 42.15 1pcx s PHE 422 CO 0.26 -0.96 2.47 0.00 -1.46 0.00 0.00 175.22 175.53 1pcx n ALA 423 N 4.56 6.14 -0.04 11.12 0.00 -0.45 -3.26 120.51 138.57 1pcx n ALA 423 Ca 0.07 -3.67 -0.10 0.00 0.00 0.00 0.00 53.44 49.74 1pcx n ALA 423 Cb 0.46 -3.47 -0.04 0.00 0.00 0.00 0.00 19.45 16.40 1pcx n ALA 423 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1pcx h LEU 424 N 9.07 -1.15 -0.27 0.00 5.85 -1.87 -0.84 115.31 126.09 1pcx h LEU 424 Ca 0.67 0.17 0.04 0.00 0.84 0.00 0.00 57.88 59.60 1pcx h LEU 424 Cb 0.50 0.50 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 1pcx h LEU 424 CO 1.84 -0.37 -0.55 1.23 -0.34 0.00 0.00 178.44 180.25 1pcx h GLY 425 N -0.38 -1.05 0.90 3.75 0.00 -1.82 0.46 103.07 104.92 1pcx h GLY 425 Ca 0.11 0.70 0.03 0.00 0.00 0.00 0.00 47.33 48.18 1pcx h GLY 425 CO -0.43 -0.16 0.64 -2.55 0.00 0.00 0.00 176.54 174.04 1pcx h PRO 426 N -0.49 1.21 -0.11 4.80 0.11 -1.67 -1.84 132.00 134.01 1pcx h PRO 426 Ca 0.05 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1pcx h PRO 426 Cb 0.64 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1pcx h PRO 426 CO -0.52 0.80 0.07 0.00 -0.21 0.00 0.00 178.00 178.15 1pcx h ALA 427 N 1.39 0.14 -0.53 -0.75 0.00 -0.25 -0.11 119.26 119.15 1pcx h ALA 427 Ca 0.38 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.38 1pcx h ALA 427 Cb -0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 1pcx h ALA 427 CO -0.12 -0.38 0.12 -0.07 0.00 0.00 0.00 179.25 178.81 1pcx h LEU 428 N 0.15 0.02 -1.13 0.00 4.07 0.39 0.30 115.31 119.11 1pcx h LEU 428 Ca 0.04 0.09 -0.07 0.00 0.08 0.00 0.00 57.88 58.03 1pcx h LEU 428 Cb -0.01 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 1pcx h LEU 428 CO -0.01 0.04 -0.11 0.11 -1.08 0.00 0.00 178.44 177.39 1pcx h LYS 429 N 0.26 0.49 -0.13 1.13 1.57 -0.98 0.35 116.57 119.25 1pcx h LYS 429 Ca 0.27 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1pcx h LYS 429 Cb 0.37 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1pcx h LYS 429 CO -0.34 0.60 0.02 0.77 -0.57 0.00 0.00 179.45 179.93 1pcx h SER 430 N 0.46 0.21 -0.68 0.86 0.02 0.58 -0.94 113.55 114.06 1pcx h SER 430 Ca 0.09 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 1pcx h SER 430 Cb 0.46 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1pcx h SER 430 CO 0.03 0.42 0.29 0.00 -1.14 0.00 0.00 176.83 176.43 1pcx h ALA 431 N 0.80 0.88 0.04 3.77 0.00 -0.20 -1.42 119.26 123.13 1pcx h ALA 431 Ca 0.04 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1pcx h ALA 431 Cb 0.30 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1pcx h ALA 431 CO 0.00 0.48 -0.40 -0.92 0.00 0.00 0.00 179.25 178.41 1pcx h TYR 432 N 0.96 -1.13 0.00 0.00 3.20 -0.00 -0.30 116.97 119.69 1pcx h TYR 432 Ca 0.23 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 1pcx h TYR 432 Cb 0.18 0.49 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 1pcx h TYR 432 CO 0.01 -0.49 -0.09 1.25 -1.64 0.00 0.00 178.16 177.20 1pcx h HIS 433 N -0.59 0.00 -0.24 -3.82 2.76 -1.01 0.34 115.15 112.61 1pcx h HIS 433 Ca 0.04 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.09 1pcx h HIS 433 Cb 0.65 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.60 1pcx h HIS 433 CO -0.39 0.09 -0.37 1.25 -1.30 0.00 0.00 177.93 177.21 1pcx h LEU 434 N 0.00 0.55 -0.74 0.26 5.85 0.05 -3.36 115.31 117.92 1pcx h LEU 434 Ca -0.00 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1pcx h LEU 434 Cb 0.29 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1pcx h LEU 434 CO 0.01 0.87 0.00 2.30 -0.34 0.00 0.00 178.44 181.28 1pcx n ILE 435 N -4.05 0.00 0.22 4.05 -5.35 -0.78 -4.76 119.36 108.70 1pcx n ILE 435 Ca -0.01 -0.40 0.17 0.00 -0.27 0.00 0.00 62.75 62.23 1pcx n ILE 435 Cb 0.49 1.17 0.76 0.00 -1.74 0.00 0.00 39.64 40.32 1pcx n ILE 435 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1pcx h GLY 436 N 0.00 0.00 0.99 3.28 0.00 -0.47 0.13 103.07 106.99 1pcx h GLY 436 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1pcx h GLY 436 CO 0.00 0.00 0.30 -1.33 0.00 0.00 0.00 176.54 175.51 1pcx h GLY 437 N 0.00 0.65 0.00 4.60 0.00 -1.84 -3.36 103.07 103.12 1pcx h GLY 437 Ca 0.09 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1pcx h GLY 437 CO -0.00 0.23 -1.25 -0.62 0.00 0.00 0.00 176.54 174.90 1pcx n VAL 438 N -4.78 0.18 0.00 4.60 0.31 -0.83 -5.12 118.33 112.70 1pcx n VAL 438 Ca 0.02 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1pcx n VAL 438 Cb 0.03 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 1pcx n VAL 438 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pcx n GLY 439 N 2.60 1.92 0.00 2.92 0.00 0.38 -4.87 105.19 108.14 1pcx n GLY 439 Ca -0.05 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1pcx n GLY 439 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pcx n GLY 440 N 1.87 -0.50 3.44 -0.02 0.00 -0.72 -4.58 105.19 104.67 1pcx n GLY 440 Ca 0.00 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 1pcx n GLY 440 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pcx s LYS 441 N -1.76 3.40 -0.28 1.61 1.02 -0.60 0.01 119.74 123.13 1pcx s LYS 441 Ca 0.00 -0.61 -0.09 0.00 0.02 0.00 0.00 55.97 55.29 1pcx s LYS 441 Cb 0.00 -2.72 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 1pcx s LYS 441 CO 0.00 0.28 0.12 0.42 -0.92 0.00 0.00 175.35 175.25 1pcx s ILE 442 N 0.21 4.57 -0.27 2.17 1.01 0.13 -0.86 121.20 128.15 1pcx s ILE 442 Ca -0.06 -0.21 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 1pcx s ILE 442 Cb -0.15 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1pcx s ILE 442 CO 0.04 0.22 0.06 -0.63 0.00 0.00 0.00 174.94 174.63 1pcx s ILE 443 N 1.64 3.92 -0.14 2.92 1.01 0.89 -0.57 121.20 130.86 1pcx s ILE 443 Ca 0.06 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 1pcx s ILE 443 Cb -0.16 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1pcx s ILE 443 CO 0.06 0.18 0.09 -0.69 0.00 0.00 0.00 174.94 174.58 1pcx s VAL 444 N 1.51 5.10 -0.10 2.92 1.01 0.15 -0.37 120.40 130.63 1pcx s VAL 444 Ca 0.04 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1pcx s VAL 444 Cb -0.16 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1pcx s VAL 444 CO 0.02 0.55 -0.15 -0.69 0.00 0.00 0.00 175.10 174.83 1pcx s VAL 445 N -0.45 1.46 0.08 2.92 1.01 -0.65 0.19 120.40 124.96 1pcx s VAL 445 Ca 0.11 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 1pcx s VAL 445 Cb -0.12 -1.33 0.07 0.00 0.00 0.00 0.00 36.38 35.00 1pcx s VAL 445 CO 0.02 0.43 0.61 -0.55 0.00 0.00 0.00 175.10 175.61 1pcx s SER 446 N 0.93 -0.58 -0.01 3.32 0.15 0.30 -1.59 113.70 116.22 1pcx s SER 446 Ca -0.08 0.25 0.24 0.00 0.70 0.00 0.00 55.95 57.06 1pcx s SER 446 Cb -0.15 0.56 0.41 0.00 -1.71 0.00 0.00 66.02 65.13 1pcx s SER 446 CO -0.00 -0.82 1.17 0.61 1.20 0.00 0.00 173.24 175.39 1pcx n GLY 447 N 0.14 1.24 2.85 9.45 0.00 -1.25 0.05 105.19 117.66 1pcx n GLY 447 Ca -0.18 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 1pcx n GLY 447 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pcx s THR 448 N -0.20 -0.30 0.16 2.61 2.01 -1.26 -4.72 115.64 113.94 1pcx s THR 448 Ca 0.33 0.24 -0.34 0.00 0.31 0.00 0.00 61.69 62.23 1pcx s THR 448 Cb 0.37 -0.41 -0.14 0.00 0.01 0.00 0.00 72.50 72.34 1pcx s THR 448 CO -0.16 0.06 1.55 -0.11 -0.69 0.00 0.00 174.62 175.27 1pcx n LEU 449 N 5.33 2.99 -4.62 4.42 7.94 -1.26 -4.83 117.00 126.96 1pcx n LEU 449 Ca -0.05 1.09 -0.54 0.00 -1.11 0.00 0.00 56.01 55.40 1pcx n LEU 449 Cb 0.50 -1.41 -0.06 0.00 0.53 0.00 0.00 43.42 42.97 1pcx n LEU 449 CO 0.05 -0.36 1.02 -2.65 -1.11 0.00 0.00 177.39 174.34 1pcx n PRO 450 N 3.24 1.13 -0.36 1.96 -0.02 -1.26 -4.77 135.00 134.91 1pcx n PRO 450 Ca 0.17 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1pcx n PRO 450 Cb 0.28 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1pcx n PRO 450 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1pcx n ASN 451 N 3.32 0.10 -3.63 2.55 0.23 -1.20 -1.88 115.26 114.74 1pcx n ASN 451 Ca 0.21 -1.79 -0.14 0.00 -0.53 0.00 0.00 54.58 52.32 1pcx n ASN 451 Cb 0.17 -0.16 -0.07 0.00 -2.08 0.00 0.00 39.78 37.64 1pcx n ASN 451 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1pcx s LEU 452 N -0.11 -0.57 0.00 -4.53 2.96 -1.26 -4.85 118.68 110.33 1pcx s LEU 452 Ca 0.01 1.26 0.00 0.00 -0.22 0.00 0.00 54.13 55.18 1pcx s LEU 452 Cb 0.01 2.33 0.00 0.00 0.50 0.00 0.00 46.19 49.03 1pcx s LEU 452 CO 0.00 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 1pcx n GLY 453 N 2.47 -2.30 3.75 7.98 0.00 -1.26 -4.18 105.19 111.64 1pcx n GLY 453 Ca -0.15 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 1pcx n GLY 453 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pcx s ILE 454 N -0.74 2.21 0.00 -0.61 2.07 -1.26 -2.71 121.20 120.15 1pcx s ILE 454 Ca 0.00 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 1pcx s ILE 454 Cb 0.00 -3.07 0.00 0.00 0.13 0.00 0.00 42.46 39.52 1pcx s ILE 454 CO 0.00 -0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 1pcx n GLY 455 N 0.73 1.30 3.71 1.50 0.00 -1.26 -3.43 105.19 107.74 1pcx n GLY 455 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1pcx n GLY 455 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pcx n LYS 456 N -2.00 1.09 -4.48 1.61 2.85 -1.10 -4.83 118.16 111.30 1pcx n LYS 456 Ca 0.00 0.43 -0.23 0.00 -1.05 0.00 0.00 58.31 57.46 1pcx n LYS 456 Cb 0.00 -2.47 -0.11 0.00 -0.65 0.00 0.00 35.03 31.81 1pcx n LYS 456 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1pcx s LEU 457 N -3.89 2.48 0.22 -5.58 1.43 -0.79 -4.97 118.68 107.58 1pcx s LEU 457 Ca 0.81 -1.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1pcx s LEU 457 Cb -0.39 -0.64 -0.05 0.00 0.03 0.00 0.00 46.19 45.15 1pcx s LEU 457 CO 0.42 -0.44 0.01 -1.10 0.23 0.00 0.00 176.35 175.47 1pcx s GLN 458 N -3.77 1.27 -0.03 1.70 -0.21 -1.26 -4.76 119.66 112.61 1pcx s GLN 458 Ca 0.33 -1.64 -0.01 0.00 0.02 0.00 0.00 55.36 54.06 1pcx s GLN 458 Cb 0.06 -0.45 -0.03 0.00 1.00 0.00 0.00 33.01 33.59 1pcx s GLN 458 CO 0.15 -0.14 0.94 0.54 -2.12 0.00 0.00 175.29 174.66 1pcx n ARG 459 N -0.37 0.28 -0.86 2.91 1.74 -1.26 -5.04 116.66 114.07 1pcx n ARG 459 Ca -0.05 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 1pcx n ARG 459 Cb 0.64 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1pcx n ARG 459 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1pcx n ASP 480 N 3.22 0.00 0.00 0.55 -0.08 -1.26 -5.24 116.55 113.73 1pcx n ASP 480 Ca 0.06 -0.65 0.00 0.00 -1.51 0.00 0.00 54.79 52.69 1pcx n ASP 480 Cb 0.10 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.56 1pcx n ASP 480 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1pcx n SER 481 N -0.44 0.00 0.02 1.67 3.41 -1.26 -4.81 113.62 112.20 1pcx n SER 481 Ca 0.00 -0.86 -0.02 0.00 -0.26 0.00 0.00 58.87 57.73 1pcx n SER 481 Cb 0.00 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.20 1pcx n SER 481 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1pcx h PHE 482 N 0.00 0.51 -0.26 7.33 3.57 -2.00 -2.70 116.94 123.39 1pcx h PHE 482 Ca 0.00 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 1pcx h PHE 482 Cb 0.43 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1pcx h PHE 482 CO 0.00 0.60 -0.05 1.88 -2.23 0.00 0.00 178.31 178.51 1pcx h TYR 483 N 0.44 0.55 -0.09 0.41 -1.99 -1.95 -1.55 116.97 112.78 1pcx h TYR 483 Ca 0.08 -0.12 0.03 0.00 2.00 0.00 0.00 58.73 60.72 1pcx h TYR 483 Cb 0.51 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 39.10 1pcx h TYR 483 CO 0.02 0.70 0.10 0.87 -0.00 0.00 0.00 178.16 179.84 1pcx h LYS 484 N 0.25 0.00 0.01 4.88 1.57 -1.80 0.24 116.57 121.71 1pcx h LYS 484 Ca 0.07 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.60 1pcx h LYS 484 Cb 0.52 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1pcx h LYS 484 CO 0.02 0.00 -1.29 -0.91 -0.57 0.00 0.00 179.45 176.71 1pcx h ASN 485 N 0.00 0.02 -0.47 0.86 2.35 -1.24 -3.18 115.58 113.92 1pcx h ASN 485 Ca 0.04 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1pcx h ASN 485 Cb 0.24 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1pcx h ASN 485 CO -0.00 1.03 0.18 0.15 -1.65 0.00 0.00 177.43 177.14 1pcx h PHE 486 N 0.00 0.72 -0.24 1.19 3.57 0.41 -1.92 116.94 120.67 1pcx h PHE 486 Ca -0.12 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.29 1pcx h PHE 486 Cb 1.87 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 40.39 1pcx h PHE 486 CO 0.00 0.62 0.02 1.79 -2.23 0.00 0.00 178.31 178.51 1pcx h THR 487 N 0.61 1.14 -0.39 4.41 1.35 -1.13 0.22 112.91 119.11 1pcx h THR 487 Ca 0.16 -0.52 -0.11 0.00 -0.55 0.00 0.00 66.41 65.38 1pcx h THR 487 Cb 0.21 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 1pcx h THR 487 CO -0.01 0.18 -0.19 0.40 -0.25 0.00 0.00 175.52 175.64 1pcx h ILE 488 N 0.34 1.28 -0.43 6.82 2.04 -1.42 -2.04 117.51 124.10 1pcx h ILE 488 Ca 0.08 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.58 1pcx h ILE 488 Cb 0.20 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1pcx h ILE 488 CO 0.00 0.44 0.15 0.44 0.00 0.00 0.00 178.15 179.19 1pcx h ASP 489 N 0.63 0.62 -0.91 1.72 3.32 -0.60 -2.84 116.42 118.36 1pcx h ASP 489 Ca 0.09 -0.19 0.10 0.00 0.02 0.00 0.00 57.03 57.04 1pcx h ASP 489 Cb 0.75 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 40.07 1pcx h ASP 489 CO 0.06 0.64 0.55 0.00 -1.72 0.00 0.00 179.24 178.77 1pcx h SER 491 N 0.92 0.00 0.69 0.00 4.64 -1.12 -0.36 113.55 118.33 1pcx h SER 491 Ca 0.43 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.54 1pcx h SER 491 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1pcx h SER 491 CO -0.24 0.00 -0.98 0.11 -0.87 0.00 0.00 176.83 174.86 1pcx h LYS 492 N 0.00 0.16 -0.20 4.77 1.57 -0.63 -3.35 116.57 118.89 1pcx h LYS 492 Ca 0.02 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.46 1pcx h LYS 492 Cb 0.12 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.41 1pcx h LYS 492 CO -0.00 1.01 -0.39 1.33 -0.57 0.00 0.00 179.45 180.83 1pcx n VAL 493 N -3.56 2.37 -4.09 0.50 0.24 -0.27 -5.01 118.33 108.51 1pcx n VAL 493 Ca -0.04 -3.21 -0.34 0.00 -2.04 0.00 0.00 64.34 58.71 1pcx n VAL 493 Cb 0.88 -0.38 -0.03 0.00 -1.47 0.00 0.00 33.84 32.84 1pcx n VAL 493 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pcx n GLN 494 N -1.07 -1.41 -4.89 7.34 1.13 -0.46 -3.87 117.38 114.15 1pcx n GLN 494 Ca 0.27 0.21 -0.33 0.00 -1.94 0.00 0.00 57.00 55.21 1pcx n GLN 494 Cb 0.82 -3.62 -0.13 0.00 0.11 0.00 0.00 30.24 27.42 1pcx n GLN 494 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1pcx s ILE 495 N -3.96 3.05 0.02 5.09 1.01 -1.02 -1.75 121.20 123.64 1pcx s ILE 495 Ca 0.18 -0.73 0.08 0.00 0.00 0.00 0.00 60.65 60.18 1pcx s ILE 495 Cb -0.09 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1pcx s ILE 495 CO 0.95 0.59 -0.23 -0.89 0.00 0.00 0.00 174.94 175.36 1pcx s THR 496 N -0.70 2.38 -0.12 2.92 2.01 0.10 -4.66 115.64 117.57 1pcx s THR 496 Ca 0.11 -1.22 0.02 0.00 0.31 0.00 0.00 61.69 60.91 1pcx s THR 496 Cb -0.11 -1.93 -0.00 0.00 0.01 0.00 0.00 72.50 70.47 1pcx s THR 496 CO 0.01 0.42 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.47 1pcx s VAL 497 N -0.79 2.43 0.01 3.82 1.01 -1.26 0.19 120.40 125.80 1pcx s VAL 497 Ca 0.12 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1pcx s VAL 497 Cb -0.10 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1pcx s VAL 497 CO 0.02 0.54 -0.16 -1.81 0.00 0.00 0.00 175.10 173.70 1pcx s ASP 498 N 0.45 3.93 -0.09 3.32 1.01 0.27 -3.79 116.67 121.77 1pcx s ASP 498 Ca -0.14 -0.33 0.01 0.00 0.71 0.00 0.00 52.55 52.81 1pcx s ASP 498 Cb -0.17 -0.73 0.02 0.00 1.01 0.00 0.00 42.92 43.06 1pcx s ASP 498 CO 0.06 0.29 -0.11 -0.76 0.21 0.00 0.00 175.17 174.86 1pcx s LEU 499 N -1.19 1.45 -0.37 1.23 1.43 -0.34 0.33 118.68 121.22 1pcx s LEU 499 Ca 0.14 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1pcx s LEU 499 Cb -0.11 -0.87 0.09 0.00 0.03 0.00 0.00 46.19 45.33 1pcx s LEU 499 CO 0.04 -0.04 0.13 -0.36 0.23 0.00 0.00 176.35 176.35 1pcx s PHE 500 N 1.20 3.50 -0.29 0.29 0.40 0.13 -0.21 117.98 123.00 1pcx s PHE 500 Ca -0.04 -2.28 -0.10 0.00 -0.60 0.00 0.00 56.93 53.90 1pcx s PHE 500 Cb -0.14 -2.86 -0.03 0.00 0.51 0.00 0.00 43.02 40.50 1pcx s PHE 500 CO -0.03 -0.92 0.16 -0.51 0.70 0.00 0.00 175.22 174.63 1pcx s LEU 501 N 1.16 3.99 -0.22 -0.37 1.43 0.24 -0.54 118.68 124.37 1pcx s LEU 501 Ca 0.04 -0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1pcx s LEU 501 Cb -0.21 -2.05 0.07 0.00 0.03 0.00 0.00 46.19 44.03 1pcx s LEU 501 CO -0.03 -0.11 0.08 0.00 0.23 0.00 0.00 176.35 176.51 1pcx s ALA 502 N 1.68 0.77 -0.10 4.21 0.00 0.11 0.13 121.76 128.57 1pcx s ALA 502 Ca 0.06 -0.73 -0.33 0.00 0.00 0.00 0.00 51.96 50.96 1pcx s ALA 502 Cb -0.16 -1.21 0.13 0.00 0.00 0.00 0.00 23.12 21.87 1pcx s ALA 502 CO 0.08 -1.32 1.25 0.45 0.00 0.00 0.00 175.76 176.22 1pcx s SER 503 N 1.99 -0.10 0.12 0.00 0.15 -1.18 -3.93 113.70 110.75 1pcx s SER 503 Ca 0.03 -0.08 0.25 0.00 0.70 0.00 0.00 55.95 56.85 1pcx s SER 503 Cb -0.16 0.16 0.47 0.00 -1.71 0.00 0.00 66.02 64.77 1pcx s SER 503 CO -0.16 -0.27 1.43 -0.62 1.20 0.00 0.00 173.24 174.81 1pcx n GLU 504 N -0.30 0.26 -2.78 5.44 1.02 -1.26 -2.35 120.64 120.66 1pcx n GLU 504 Ca -0.04 0.10 -0.23 0.00 -0.02 0.00 0.00 57.16 56.97 1pcx n GLU 504 Cb 0.61 -1.69 0.02 0.00 -0.02 0.00 0.00 31.44 30.36 1pcx n GLU 504 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pcx s ASP 505 N -4.15 5.58 0.24 1.62 1.01 -1.26 -4.80 116.67 114.91 1pcx s ASP 505 Ca 0.08 0.23 -0.31 0.00 0.71 0.00 0.00 52.55 53.26 1pcx s ASP 505 Cb 0.14 -1.30 -0.11 0.00 1.01 0.00 0.00 42.92 42.65 1pcx s ASP 505 CO 0.69 -0.92 1.59 -0.47 0.21 0.00 0.00 175.17 176.28 1pcx s TYR 506 N -2.69 2.90 0.00 4.23 5.04 -1.26 -4.92 117.35 120.65 1pcx s TYR 506 Ca 0.52 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.83 1pcx s TYR 506 Cb -0.10 -4.01 0.00 0.00 0.35 0.00 0.00 41.96 38.19 1pcx s TYR 506 CO 0.39 -3.58 0.32 -1.33 -1.34 0.00 0.00 175.55 170.01 1pcx n MET 507 N 3.03 1.69 -3.68 4.97 2.81 -1.26 -4.38 117.12 120.30 1pcx n MET 507 Ca 0.11 -0.32 -0.30 0.00 -1.81 0.00 0.00 57.70 55.38 1pcx n MET 507 Cb 0.38 -0.81 0.04 0.00 -0.71 0.00 0.00 33.22 32.11 1pcx n MET 507 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1pcx n ASP 508 N -0.33 -4.81 -0.20 7.83 2.03 -1.26 -4.78 116.55 115.03 1pcx n ASP 508 Ca 0.00 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.32 1pcx n ASP 508 Cb 0.00 -3.48 0.24 0.00 -0.72 0.00 0.00 41.12 37.17 1pcx n ASP 508 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1pcx h VAL 509 N -1.85 1.20 -0.91 5.18 2.07 -1.89 -1.48 116.25 118.55 1pcx h VAL 509 Ca -0.66 -0.41 0.26 0.00 0.82 0.00 0.00 66.70 66.72 1pcx h VAL 509 Cb 1.36 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1pcx h VAL 509 CO 0.49 0.20 0.65 0.00 0.02 0.00 0.00 177.57 178.94 1pcx h ALA 510 N 1.51 2.83 0.01 1.67 0.00 -1.87 0.48 119.26 123.88 1pcx h ALA 510 Ca 0.26 -0.03 -0.41 0.00 0.00 0.00 0.00 54.91 54.74 1pcx h ALA 510 Cb -0.07 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1pcx h ALA 510 CO -0.05 -1.09 -2.45 0.45 0.00 0.00 0.00 179.25 176.11 1pcx n SER 511 N -4.28 1.98 0.16 0.00 2.88 -0.64 -4.47 113.62 109.25 1pcx n SER 511 Ca 0.19 0.02 0.01 0.00 -1.33 0.00 0.00 58.87 57.75 1pcx n SER 511 Cb 0.97 -0.55 0.26 0.00 -0.75 0.00 0.00 64.21 64.14 1pcx n SER 511 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1pcx h LEU 512 N -0.27 0.00 -1.62 2.46 3.38 -1.06 -2.95 115.31 115.25 1pcx h LEU 512 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1pcx h LEU 512 Cb 1.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.57 1pcx h LEU 512 CO -0.17 0.50 0.05 0.77 0.09 0.00 0.00 178.44 179.68 1pcx h SER 513 N 0.00 0.00 0.88 -0.43 4.64 -1.13 0.59 113.55 118.11 1pcx h SER 513 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1pcx h SER 513 Cb 0.89 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 1pcx h SER 513 CO 0.06 0.00 -0.31 0.78 -0.87 0.00 0.00 176.83 176.49 1pcx h ASN 514 N 0.00 0.00 0.17 4.97 2.35 -1.75 0.29 115.58 121.61 1pcx h ASN 514 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1pcx h ASN 514 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1pcx h ASN 514 CO 0.00 0.31 -0.08 -0.07 -1.65 0.00 0.00 177.43 175.94 1pcx h LEU 515 N 0.00 -0.19 0.32 1.61 3.38 -1.08 -2.31 115.31 117.04 1pcx h LEU 515 Ca -0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1pcx h LEU 515 Cb 0.84 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1pcx h LEU 515 CO 0.04 0.02 -0.15 0.77 0.09 0.00 0.00 178.44 179.21 1pcx h SER 516 N -0.41 -0.36 -0.91 -0.43 4.64 -1.66 -3.17 113.55 111.26 1pcx h SER 516 Ca -0.02 -0.18 0.16 0.00 -0.47 0.00 0.00 61.79 61.28 1pcx h SER 516 Cb 0.32 0.09 -0.16 0.00 -0.31 0.00 0.00 62.40 62.34 1pcx h SER 516 CO 0.04 0.05 -0.28 -1.14 -0.87 0.00 0.00 176.83 174.62 1pcx n ARG 517 N -5.11 -0.14 -0.29 4.77 0.63 0.08 -0.60 116.66 116.00 1pcx n ARG 517 Ca -0.09 1.40 0.08 0.00 -0.92 0.00 0.00 57.85 58.32 1pcx n ARG 517 Cb 0.27 -2.09 0.23 0.00 0.45 0.00 0.00 32.46 31.32 1pcx n ARG 517 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1pcx n PHE 518 N -5.41 0.75 0.01 -0.14 3.01 -0.87 -1.62 117.46 113.19 1pcx n PHE 518 Ca 0.12 -0.35 0.00 0.00 1.01 0.00 0.00 57.45 58.23 1pcx n PHE 518 Cb 0.41 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 1pcx n PHE 518 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1pcx n THR 519 N 0.92 0.47 -0.94 4.37 -2.24 0.23 -3.92 114.28 113.16 1pcx n THR 519 Ca 0.17 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1pcx n THR 519 Cb 0.47 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1pcx n THR 519 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pcx n ALA 520 N -0.19 0.00 -1.31 6.98 0.00 -0.88 -4.05 120.51 121.06 1pcx n ALA 520 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pcx n ALA 520 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1pcx n ALA 520 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pcx n GLY 521 N -2.66 0.39 3.21 0.00 0.00 -0.83 -4.49 105.19 100.81 1pcx n GLY 521 Ca 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 1pcx n GLY 521 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pcx s GLN 522 N 1.01 0.84 -0.03 1.61 2.00 -1.25 -4.49 119.66 119.36 1pcx s GLN 522 Ca 0.00 -0.92 0.06 0.00 -2.00 0.00 0.00 55.36 52.50 1pcx s GLN 522 Cb 0.00 0.34 -0.01 0.00 0.80 0.00 0.00 33.01 34.14 1pcx s GLN 522 CO 0.00 -0.27 -0.21 0.99 -0.50 0.00 0.00 175.29 175.30 1pcx s THR 523 N -3.75 1.68 -0.07 -0.34 2.01 -1.26 -1.20 115.64 112.72 1pcx s THR 523 Ca 0.04 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.16 1pcx s THR 523 Cb 0.04 -1.41 0.02 0.00 0.01 0.00 0.00 72.50 71.16 1pcx s THR 523 CO -0.10 0.48 -0.10 -1.00 -0.69 0.00 0.00 174.62 173.20 1pcx s HIS 524 N -0.36 1.34 -0.11 4.92 3.76 0.70 -4.94 115.29 120.59 1pcx s HIS 524 Ca 0.04 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.46 1pcx s HIS 524 Cb -0.10 -1.02 -0.01 0.00 1.11 0.00 0.00 32.58 32.56 1pcx s HIS 524 CO 0.00 -0.29 -0.16 0.12 -0.85 0.00 0.00 174.74 173.56 1pcx s PHE 525 N 0.85 2.72 -0.73 1.40 5.36 -1.26 -0.60 117.98 125.73 1pcx s PHE 525 Ca -0.11 -0.70 0.04 0.00 -0.96 0.00 0.00 56.93 55.19 1pcx s PHE 525 Cb -0.15 -1.78 0.18 0.00 -0.34 0.00 0.00 43.02 40.93 1pcx s PHE 525 CO 0.01 -0.23 0.56 0.66 -1.46 0.00 0.00 175.22 174.77 1pcx n TYR 526 N 3.40 3.43 -1.64 10.12 4.02 0.12 -4.99 117.16 131.62 1pcx n TYR 526 Ca -0.18 -4.27 -0.46 0.00 -0.01 0.00 0.00 57.90 52.98 1pcx n TYR 526 Cb 0.53 -0.70 -0.03 0.00 -0.02 0.00 0.00 39.34 39.12 1pcx n TYR 526 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1pcx n PRO 527 N 1.91 1.79 -1.25 -0.72 -0.02 -1.26 -2.31 135.00 133.14 1pcx n PRO 527 Ca 0.21 0.64 -0.09 0.00 -2.02 0.00 0.00 63.50 62.24 1pcx n PRO 527 Cb 0.36 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 1pcx n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pcx n GLY 528 N 2.06 0.94 3.63 -1.23 0.00 -0.99 -4.91 105.19 104.68 1pcx n GLY 528 Ca 0.12 -0.17 -0.46 0.00 0.00 0.00 0.00 46.02 45.51 1pcx n GLY 528 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pcx n PHE 529 N -2.43 1.79 -3.34 1.61 7.35 -0.98 -4.76 117.46 116.70 1pcx n PHE 529 Ca -0.09 0.54 0.02 0.00 -0.76 0.00 0.00 57.45 57.17 1pcx n PHE 529 Cb 0.44 -2.38 -0.03 0.00 0.35 0.00 0.00 39.48 37.87 1pcx n PHE 529 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1pcx s SER 530 N 0.14 -0.96 0.29 -2.13 0.15 -1.26 -4.30 113.70 105.63 1pcx s SER 530 Ca 0.70 0.93 0.11 0.00 0.70 0.00 0.00 55.95 58.39 1pcx s SER 530 Cb -0.73 1.94 0.62 0.00 -1.71 0.00 0.00 66.02 66.14 1pcx s SER 530 CO 0.51 -0.18 1.23 0.61 1.20 0.00 0.00 173.24 176.61 1pcx n GLY 531 N 5.33 -0.58 0.14 9.45 0.00 0.13 -0.79 105.19 118.88 1pcx n GLY 531 Ca -0.07 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1pcx n GLY 531 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pcx h LYS 532 N 0.00 0.00 -3.98 1.61 1.57 -1.91 -3.37 116.57 110.49 1pcx h LYS 532 Ca 0.00 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 58.05 1pcx h LYS 532 Cb 0.61 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.61 1pcx h LYS 532 CO 0.00 0.00 -0.29 -0.80 -0.57 0.00 0.00 179.45 177.79 1pcx s ASN 533 N -4.42 5.76 0.63 0.86 0.01 0.03 -4.94 114.94 112.86 1pcx s ASN 533 Ca 0.04 -2.39 0.04 0.00 -0.71 0.00 0.00 52.86 49.85 1pcx s ASN 533 Cb 0.09 -2.00 0.22 0.00 0.41 0.00 0.00 41.25 39.98 1pcx s ASN 533 CO 0.42 -0.56 1.10 -0.65 -1.51 0.00 0.00 177.10 175.90 1pcx h PRO 534 N 7.84 0.00 0.00 -0.60 0.11 -1.85 1.05 132.00 138.55 1pcx h PRO 534 Ca -0.08 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1pcx h PRO 534 Cb 1.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1pcx h PRO 534 CO 0.79 0.00 -0.78 -0.91 -0.21 0.00 0.00 178.00 176.89 1pcx h ASN 535 N 0.00 0.00 0.33 -2.05 2.35 -1.92 -3.26 115.58 111.02 1pcx h ASN 535 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1pcx h ASN 535 Cb 1.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.14 1pcx h ASN 535 CO 0.00 0.09 -0.16 0.44 -1.65 0.00 0.00 177.43 176.15 1pcx h ASP 536 N 0.00 -0.37 -0.71 5.81 5.19 0.89 -3.06 116.42 124.16 1pcx h ASP 536 Ca -0.02 -0.17 0.15 0.00 -0.62 0.00 0.00 57.03 56.38 1pcx h ASP 536 Cb 1.08 0.10 -0.13 0.00 0.18 0.00 0.00 39.33 40.56 1pcx h ASP 536 CO 0.01 -0.00 -0.07 0.40 -3.12 0.00 0.00 179.24 176.45 1pcx h ILE 537 N -0.79 0.34 -0.56 0.35 1.08 -1.69 -1.12 117.51 115.13 1pcx h ILE 537 Ca -0.04 -0.02 0.11 0.00 -0.39 0.00 0.00 64.86 64.51 1pcx h ILE 537 Cb 0.51 0.28 -0.08 0.00 -3.07 0.00 0.00 36.82 34.46 1pcx h ILE 537 CO 0.07 0.01 0.08 0.58 -0.69 0.00 0.00 178.15 178.20 1pcx h VAL 538 N 0.06 0.63 0.27 1.67 2.07 -1.58 0.28 116.25 119.64 1pcx h VAL 538 Ca 0.37 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.80 1pcx h VAL 538 Cb 0.61 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1pcx h VAL 538 CO -0.67 0.04 -0.13 0.50 0.02 0.00 0.00 177.57 177.33 1pcx h LYS 539 N 0.20 -0.35 -0.08 1.57 3.64 -1.12 -1.93 116.57 118.50 1pcx h LYS 539 Ca 0.29 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1pcx h LYS 539 Cb 0.43 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1pcx h LYS 539 CO -0.40 -0.08 -0.01 0.35 -2.27 0.00 0.00 179.45 177.04 1pcx h PHE 540 N -0.61 -0.02 -0.39 1.91 3.57 -1.20 -2.06 116.94 118.13 1pcx h PHE 540 Ca -0.04 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.49 1pcx h PHE 540 Cb 0.44 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1pcx h PHE 540 CO 0.00 -0.02 0.22 1.03 -2.23 0.00 0.00 178.31 177.32 1pcx h SER 541 N 0.02 0.35 0.24 0.41 0.87 -0.99 0.11 113.55 114.55 1pcx h SER 541 Ca 0.04 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1pcx h SER 541 Cb 0.05 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1pcx h SER 541 CO -0.07 0.25 -0.11 0.74 -0.53 0.00 0.00 176.83 177.11 1pcx h THR 542 N 0.45 0.79 -0.47 2.23 2.02 -1.26 -0.68 112.91 116.00 1pcx h THR 542 Ca 0.16 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1pcx h THR 542 Cb 0.03 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1pcx h THR 542 CO -0.08 0.03 0.27 -0.33 0.37 0.00 0.00 175.52 175.78 1pcx h GLU 543 N -0.39 0.64 -0.26 6.66 5.08 -1.27 -0.02 114.58 125.02 1pcx h GLU 543 Ca -0.03 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1pcx h GLU 543 Cb 0.30 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1pcx h GLU 543 CO 0.05 0.48 0.14 0.35 -1.00 0.00 0.00 179.01 179.03 1pcx h PHE 544 N 0.62 0.26 0.18 4.33 3.57 -0.69 0.22 116.94 125.44 1pcx h PHE 544 Ca 0.17 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1pcx h PHE 544 Cb 0.01 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 1pcx h PHE 544 CO -0.03 0.15 -0.10 0.00 -2.23 0.00 0.00 178.31 176.11 1pcx h ALA 545 N 1.12 -0.26 -0.66 2.41 0.00 -0.86 -0.86 119.26 120.14 1pcx h ALA 545 Ca 0.10 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1pcx h ALA 545 Cb 0.01 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1pcx h ALA 545 CO -0.05 -0.65 0.43 0.87 0.00 0.00 0.00 179.25 179.85 1pcx h LYS 546 N -0.27 0.80 -0.26 0.00 1.57 -0.80 -1.87 116.57 115.73 1pcx h LYS 546 Ca -0.02 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1pcx h LYS 546 Cb 0.22 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1pcx h LYS 546 CO 0.03 0.53 0.14 1.25 -0.57 0.00 0.00 179.45 180.82 1pcx h HIS 547 N 0.82 0.35 0.00 -1.35 2.76 0.29 -2.41 115.15 115.62 1pcx h HIS 547 Ca 0.25 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1pcx h HIS 547 Cb 0.01 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 28.85 1pcx h HIS 547 CO -0.00 0.30 0.00 0.44 -1.30 0.00 0.00 177.93 177.37 1pcx n ILE 548 N -4.84 0.31 0.68 6.26 -5.35 -0.41 -2.32 119.36 113.69 1pcx n ILE 548 Ca -0.02 0.08 0.12 0.00 -0.27 0.00 0.00 62.75 62.65 1pcx n ILE 548 Cb 0.08 -0.67 0.11 0.00 -1.74 0.00 0.00 39.64 37.42 1pcx n ILE 548 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1pcx n SER 549 N -1.42 0.63 -4.73 7.28 3.41 -0.75 -4.15 113.62 113.90 1pcx n SER 549 Ca 0.08 -0.15 -0.42 0.00 -0.26 0.00 0.00 58.87 58.12 1pcx n SER 549 Cb 0.25 0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 64.65 1pcx n SER 549 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1pcx s MET 550 N -3.13 4.26 0.55 4.33 -2.45 -0.95 -4.51 119.30 117.40 1pcx s MET 550 Ca 0.06 2.27 -0.18 0.00 -1.25 0.00 0.00 55.69 56.58 1pcx s MET 550 Cb 0.15 -3.16 -0.05 0.00 1.25 0.00 0.00 34.83 33.01 1pcx s MET 550 CO 0.76 -0.49 1.09 -0.51 1.05 0.00 0.00 175.02 176.91 1pcx s ASP 551 N 0.84 5.83 0.19 1.11 -0.00 -0.83 -4.81 116.67 119.00 1pcx s ASP 551 Ca 0.65 2.02 -0.19 0.00 -0.00 0.00 0.00 52.55 55.04 1pcx s ASP 551 Cb -0.41 -2.56 0.03 0.00 -0.00 0.00 0.00 42.92 39.98 1pcx s ASP 551 CO 0.35 -1.14 0.54 0.72 -0.00 0.00 0.00 175.17 175.65 1pcx s PHE 552 N -2.02 -0.19 0.53 4.23 -0.12 -1.26 -4.19 117.98 114.96 1pcx s PHE 552 Ca 0.69 -0.14 0.08 0.00 -0.05 0.00 0.00 56.93 57.51 1pcx s PHE 552 Cb -0.20 0.44 0.05 0.00 -0.63 0.00 0.00 43.02 42.68 1pcx s PHE 552 CO 0.28 -0.92 0.61 0.00 -0.05 0.00 0.00 175.22 175.15 1pcx s MET 554 N -4.46 0.66 -1.57 0.00 -1.94 0.32 -2.25 119.30 110.06 1pcx s MET 554 Ca 0.52 -0.92 -0.11 0.00 -1.71 0.00 0.00 55.69 53.47 1pcx s MET 554 Cb -0.05 0.26 0.09 0.00 2.01 0.00 0.00 34.83 37.14 1pcx s MET 554 CO 0.32 -0.17 0.66 0.39 -0.01 0.00 0.00 175.02 176.21 1pcx n GLU 555 N 0.39 -3.46 -3.88 2.03 1.02 -0.60 -1.86 120.64 114.28 1pcx n GLU 555 Ca -0.17 0.41 -0.32 0.00 -0.02 0.00 0.00 57.16 57.06 1pcx n GLU 555 Cb 0.60 -4.91 -0.04 0.00 -0.02 0.00 0.00 31.44 27.07 1pcx n GLU 555 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1pcx s THR 556 N -3.56 5.36 -0.03 2.62 2.01 -0.02 -4.46 115.64 117.56 1pcx s THR 556 Ca 0.44 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 62.14 1pcx s THR 556 Cb -0.24 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.67 1pcx s THR 556 CO 0.90 0.16 0.08 0.68 -0.69 0.00 0.00 174.62 175.75 1pcx s VAL 557 N -1.49 -0.01 -0.04 3.82 -7.23 -0.65 0.05 120.40 114.84 1pcx s VAL 557 Ca 0.34 0.05 0.06 0.00 -1.81 0.00 0.00 61.98 60.62 1pcx s VAL 557 Cb -0.13 -0.12 -0.01 0.00 0.56 0.00 0.00 36.38 36.68 1pcx s VAL 557 CO 0.26 0.02 -0.21 -0.32 -0.31 0.00 0.00 175.10 174.54 1pcx s MET 558 N 0.33 1.95 -0.01 4.82 1.75 0.36 -1.78 119.30 126.72 1pcx s MET 558 Ca -0.02 -0.74 -0.02 0.00 -1.25 0.00 0.00 55.69 53.65 1pcx s MET 558 Cb -0.04 -1.75 -0.00 0.00 2.84 0.00 0.00 34.83 35.89 1pcx s MET 558 CO -0.01 0.36 0.05 0.50 -0.65 0.00 0.00 175.02 175.27 1pcx s ARG 559 N -0.22 0.20 -0.18 4.11 3.52 -0.87 -1.18 118.95 124.32 1pcx s ARG 559 Ca 0.01 -0.17 -0.01 0.00 -0.13 0.00 0.00 55.73 55.43 1pcx s ARG 559 Cb -0.11 0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.37 1pcx s ARG 559 CO 0.01 -0.04 -0.14 0.00 -0.81 0.00 0.00 175.30 174.33 1pcx s ALA 560 N -0.57 2.52 -0.00 6.12 0.00 -1.26 -0.14 121.76 128.43 1pcx s ALA 560 Ca -0.06 -1.14 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 1pcx s ALA 560 Cb -0.04 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1pcx s ALA 560 CO 0.00 -0.24 0.14 1.03 0.00 0.00 0.00 175.76 176.69 1pcx s ARG 561 N 1.15 3.28 0.12 0.00 0.52 0.94 -4.79 118.95 120.18 1pcx s ARG 561 Ca 0.01 -0.40 0.10 0.00 -0.52 0.00 0.00 55.73 54.92 1pcx s ARG 561 Cb -0.14 -3.00 -0.04 0.00 0.52 0.00 0.00 34.95 32.29 1pcx s ARG 561 CO -0.05 0.66 -0.24 0.20 0.02 0.00 0.00 175.30 175.88 1pcx s GLY 562 N -1.90 1.44 1.09 -3.53 0.00 -1.26 -0.25 107.32 102.92 1pcx s GLY 562 Ca 0.26 -1.38 -0.12 0.00 0.00 0.00 0.00 44.72 43.48 1pcx s GLY 562 CO 0.17 -1.37 1.06 -1.35 0.00 0.00 0.00 173.10 171.61 1pcx s SER 563 N -2.00 1.65 -0.06 1.64 1.04 0.90 -4.72 113.70 112.14 1pcx s SER 563 Ca 0.11 1.47 -0.39 0.00 0.48 0.00 0.00 55.95 57.61 1pcx s SER 563 Cb -0.10 -2.19 -0.17 0.00 0.10 0.00 0.00 66.02 63.66 1pcx s SER 563 CO 0.05 -3.78 1.39 0.41 0.98 0.00 0.00 173.24 172.29 1pcx n THR 564 N -4.63 0.06 0.00 2.02 -1.04 0.89 -1.39 114.28 110.20 1pcx n THR 564 Ca 0.04 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1pcx n THR 564 Cb 0.55 -0.70 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 1pcx n THR 564 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pcx n GLY 565 N 2.77 2.74 3.82 3.41 0.00 -1.26 -4.83 105.19 111.84 1pcx n GLY 565 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1pcx n GLY 565 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pcx s LEU 566 N 0.00 4.48 -0.01 0.99 1.43 -0.48 -1.13 118.68 123.96 1pcx s LEU 566 Ca 0.00 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 1pcx s LEU 566 Cb 0.00 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1pcx s LEU 566 CO 0.00 0.29 -0.02 -0.60 0.23 0.00 0.00 176.35 176.25 1pcx s ARG 567 N -0.95 0.21 -0.20 1.70 3.52 -0.21 -4.53 118.95 118.49 1pcx s ARG 567 Ca 0.25 -0.05 -0.23 0.00 -0.13 0.00 0.00 55.73 55.57 1pcx s ARG 567 Cb -0.17 -0.24 -0.02 0.00 -1.56 0.00 0.00 34.95 32.96 1pcx s ARG 567 CO 0.15 0.01 0.76 -1.64 -0.81 0.00 0.00 175.30 173.77 1pcx s MET 568 N 0.18 4.23 -0.16 5.12 -1.94 -1.26 0.15 119.30 125.62 1pcx s MET 568 Ca -0.02 0.85 -0.03 0.00 -1.71 0.00 0.00 55.69 54.79 1pcx s MET 568 Cb -0.04 -3.60 -0.09 0.00 2.01 0.00 0.00 34.83 33.11 1pcx s MET 568 CO -0.00 -0.36 -0.17 -1.13 -0.01 0.00 0.00 175.02 173.35 1pcx n SER 569 N 5.42 2.14 -4.36 3.03 3.41 -0.10 -4.95 113.62 118.22 1pcx n SER 569 Ca 0.03 0.03 -0.26 0.00 -0.26 0.00 0.00 58.87 58.41 1pcx n SER 569 Cb 0.49 -0.34 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 1pcx n SER 569 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1pcx s ARG 570 N -2.31 1.33 -0.07 4.33 1.81 -1.24 -4.96 118.95 117.84 1pcx s ARG 570 Ca -0.22 -1.36 0.00 0.00 -1.72 0.00 0.00 55.73 52.44 1pcx s ARG 570 Cb 0.07 -1.63 0.02 0.00 -0.45 0.00 0.00 34.95 32.96 1pcx s ARG 570 CO 0.33 0.36 -0.06 -0.06 -0.68 0.00 0.00 175.30 175.19 1pcx s PHE 571 N -1.47 1.08 0.12 -0.53 0.40 -1.26 -1.51 117.98 114.82 1pcx s PHE 571 Ca 0.14 -0.41 0.10 0.00 -0.60 0.00 0.00 56.93 56.16 1pcx s PHE 571 Cb -0.08 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.48 1pcx s PHE 571 CO 0.07 -0.32 -0.25 0.71 0.70 0.00 0.00 175.22 176.13 1pcx s TYR 572 N 1.26 2.16 0.00 0.36 1.51 0.78 -5.01 117.35 118.41 1pcx s TYR 572 Ca -0.05 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1pcx s TYR 572 Cb -0.14 -1.17 0.00 0.00 -0.11 0.00 0.00 41.96 40.54 1pcx s TYR 572 CO -0.02 0.30 0.00 0.41 -1.11 0.00 0.00 175.55 175.13 1pcx n GLY 573 N 0.95 2.41 3.68 0.71 0.00 -1.26 -2.19 105.19 109.49 1pcx n GLY 573 Ca -0.18 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.25 1pcx n GLY 573 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pcx s HIS 574 N -1.91 3.11 0.00 1.61 3.76 -1.26 -4.91 115.29 115.69 1pcx s HIS 574 Ca 0.00 1.19 0.00 0.00 -0.15 0.00 0.00 55.06 56.10 1pcx s HIS 574 Cb 0.00 -3.42 0.00 0.00 1.11 0.00 0.00 32.58 30.27 1pcx s HIS 574 CO 0.00 -1.31 0.00 1.97 -0.85 0.00 0.00 174.74 174.55 1pcx n PHE 575 N 5.71 0.00 -3.86 1.40 1.16 -0.64 -4.37 117.46 116.86 1pcx n PHE 575 Ca 0.12 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.35 1pcx n PHE 575 Cb 0.46 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.23 1pcx n PHE 575 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 1pcx s PHE 576 N -2.00 3.27 -0.25 2.97 5.36 -0.56 -4.51 117.98 122.25 1pcx s PHE 576 Ca 0.00 0.09 -0.06 0.00 -0.96 0.00 0.00 56.93 55.99 1pcx s PHE 576 Cb 0.00 -2.15 0.12 0.00 -0.34 0.00 0.00 43.02 40.65 1pcx s PHE 576 CO 0.00 0.09 0.51 1.21 -1.46 0.00 0.00 175.22 175.58 1pcx s ASN 577 N 0.67 -0.63 0.00 6.13 3.84 -1.26 -0.52 114.94 123.17 1pcx s ASN 577 Ca 0.05 1.05 0.00 0.00 0.21 0.00 0.00 52.86 54.17 1pcx s ASN 577 Cb -0.13 1.73 0.00 0.00 -0.55 0.00 0.00 41.25 42.31 1pcx s ASN 577 CO 0.01 -0.24 0.00 0.54 -2.79 0.00 0.00 177.10 174.62 1pcx n ARG 578 N 5.41 0.00 -2.68 0.43 1.74 -1.26 -4.93 116.66 115.37 1pcx n ARG 578 Ca -0.08 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.86 1pcx n ARG 578 Cb 0.50 -0.20 0.02 0.00 -1.02 0.00 0.00 32.46 31.75 1pcx n ARG 578 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1pcx n SER 579 N -1.95 2.13 -2.73 0.55 7.64 -1.26 -5.09 113.62 112.92 1pcx n SER 579 Ca 0.00 -2.96 -0.14 0.00 1.01 0.00 0.00 58.87 56.78 1pcx n SER 579 Cb 0.00 -0.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.63 1pcx n SER 579 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1pcx n SER 580 N -0.12 -0.87 -1.16 6.43 3.41 -1.26 -5.00 113.62 115.05 1pcx n SER 580 Ca 0.17 -2.67 0.08 0.00 -0.26 0.00 0.00 58.87 56.19 1pcx n SER 580 Cb 0.76 1.76 0.28 0.00 -0.26 0.00 0.00 64.21 66.75 1pcx n SER 580 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1pcx n ASP 581 N -1.81 4.11 -4.34 4.04 5.75 -1.26 -4.91 116.55 118.12 1pcx n ASP 581 Ca 0.03 -2.53 -0.34 0.00 -0.01 0.00 0.00 54.79 51.94 1pcx n ASP 581 Cb 0.49 -0.49 -0.14 0.00 -1.03 0.00 0.00 41.12 39.95 1pcx n ASP 581 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1pcx s LEU 582 N -1.98 2.75 -0.20 -2.12 2.96 -1.26 -4.43 118.68 114.41 1pcx s LEU 582 Ca 0.42 -0.37 -0.08 0.00 -0.22 0.00 0.00 54.13 53.88 1pcx s LEU 582 Cb 0.29 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 1pcx s LEU 582 CO 0.17 0.09 0.08 0.00 -1.32 0.00 0.00 176.35 175.37 1pcx s ALA 584 N 0.56 3.36 -0.29 0.00 0.00 0.32 -0.49 121.76 125.22 1pcx s ALA 584 Ca 0.04 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 1pcx s ALA 584 Cb -0.13 -1.89 0.05 0.00 0.00 0.00 0.00 23.12 21.16 1pcx s ALA 584 CO 0.01 0.16 -0.03 -0.06 0.00 0.00 0.00 175.76 175.84 1pcx s PHE 585 N 0.41 3.27 0.44 0.00 0.40 0.11 -1.50 117.98 121.10 1pcx s PHE 585 Ca 0.02 -1.98 0.10 0.00 -0.60 0.00 0.00 56.93 54.48 1pcx s PHE 585 Cb -0.13 -2.07 0.99 0.00 0.51 0.00 0.00 43.02 42.33 1pcx s PHE 585 CO 0.01 -0.82 2.07 0.77 0.70 0.00 0.00 175.22 177.95 1pcx h SER 586 N 7.95 0.33 -3.81 1.36 0.02 -1.79 -0.02 113.55 117.59 1pcx h SER 586 Ca -0.21 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.61 1pcx h SER 586 Cb 1.06 -0.08 -0.24 0.00 0.14 0.00 0.00 62.40 63.27 1pcx h SER 586 CO 0.52 0.23 -0.25 0.42 -1.14 0.00 0.00 176.83 176.60 1pcx s THR 587 N -5.37 -0.00 -0.31 -2.27 -4.23 -1.26 -1.56 115.64 100.65 1pcx s THR 587 Ca -0.07 0.01 -0.07 0.00 -1.18 0.00 0.00 61.69 60.38 1pcx s THR 587 Cb 0.18 -0.56 0.02 0.00 1.34 0.00 0.00 72.50 73.47 1pcx s THR 587 CO 0.72 0.00 0.09 -0.32 -0.54 0.00 0.00 174.62 174.57 1pcx s MET 588 N 0.35 2.95 0.60 3.99 1.75 -0.95 -4.77 119.30 123.22 1pcx s MET 588 Ca -0.01 -0.95 -0.10 0.00 -1.25 0.00 0.00 55.69 53.37 1pcx s MET 588 Cb -0.03 -3.41 0.15 0.00 2.84 0.00 0.00 34.83 34.38 1pcx s MET 588 CO -0.01 -0.51 0.48 -0.35 -0.65 0.00 0.00 175.02 173.98 1pcx n PRO 589 N 4.86 -2.33 -0.03 4.11 -0.04 -1.26 -2.41 135.00 137.90 1pcx n PRO 589 Ca -0.14 -0.78 -0.02 0.00 -0.04 0.00 0.00 63.50 62.52 1pcx n PRO 589 Cb 0.47 -0.79 -0.05 0.00 -0.04 0.00 0.00 33.50 33.08 1pcx n PRO 589 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pcx n ARG 590 N -3.23 2.29 -0.10 0.54 5.12 -1.26 -4.78 116.66 115.24 1pcx n ARG 590 Ca 0.07 -0.02 0.07 0.00 -1.93 0.00 0.00 57.85 56.05 1pcx n ARG 590 Cb 0.28 -1.17 0.28 0.00 -1.16 0.00 0.00 32.46 30.68 1pcx n ARG 590 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1pcx n ASP 591 N -2.14 1.34 -4.88 0.55 5.75 -1.26 -4.66 116.55 111.25 1pcx n ASP 591 Ca -0.09 -1.81 -0.25 0.00 -0.01 0.00 0.00 54.79 52.64 1pcx n ASP 591 Cb 0.60 -0.13 -0.02 0.00 -1.03 0.00 0.00 41.12 40.55 1pcx n ASP 591 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1pcx s GLN 592 N -1.75 2.30 0.27 0.11 -0.21 -1.26 -4.48 119.66 114.64 1pcx s GLN 592 Ca 0.25 -1.90 0.02 0.00 0.02 0.00 0.00 55.36 53.75 1pcx s GLN 592 Cb 0.13 -2.15 -0.05 0.00 1.00 0.00 0.00 33.01 31.94 1pcx s GLN 592 CO 0.19 -0.49 0.08 0.45 -2.12 0.00 0.00 175.29 173.40 1pcx s SER 593 N -4.22 1.49 0.27 5.90 0.15 0.47 -4.77 113.70 112.99 1pcx s SER 593 Ca 0.38 -1.36 0.00 0.00 0.70 0.00 0.00 55.95 55.67 1pcx s SER 593 Cb -0.02 0.10 -0.03 0.00 -1.71 0.00 0.00 66.02 64.36 1pcx s SER 593 CO 0.23 -0.68 0.26 -0.31 1.20 0.00 0.00 173.24 173.94 1pcx s TYR 594 N -3.63 1.25 -0.20 3.44 1.51 -0.05 -4.72 117.35 114.96 1pcx s TYR 594 Ca 0.36 -1.39 -0.13 0.00 -1.01 0.00 0.00 57.07 54.90 1pcx s TYR 594 Cb 0.08 -0.47 0.06 0.00 -0.11 0.00 0.00 41.96 41.52 1pcx s TYR 594 CO 0.13 -0.82 0.50 -1.17 -1.11 0.00 0.00 175.55 173.09 1pcx s LEU 595 N -3.22 -0.25 -0.09 -1.29 0.20 -0.93 -1.15 118.68 111.94 1pcx s LEU 595 Ca 0.37 1.08 0.04 0.00 0.69 0.00 0.00 54.13 56.30 1pcx s LEU 595 Cb 0.04 1.70 -0.01 0.00 -0.43 0.00 0.00 46.19 47.49 1pcx s LEU 595 CO 0.18 -0.20 -0.22 -0.36 -0.29 0.00 0.00 176.35 175.45 1pcx s PHE 596 N 1.15 2.56 0.00 5.38 0.40 -0.54 -0.15 117.98 126.78 1pcx s PHE 596 Ca -0.07 -0.86 -0.21 0.00 -0.60 0.00 0.00 56.93 55.19 1pcx s PHE 596 Cb -0.06 -1.69 -0.05 0.00 0.51 0.00 0.00 43.02 41.72 1pcx s PHE 596 CO -0.11 -0.31 0.62 -2.00 0.70 0.00 0.00 175.22 174.13 1pcx s GLU 597 N 0.15 4.34 -0.06 0.44 2.12 -0.57 0.49 118.70 125.61 1pcx s GLU 597 Ca -0.12 0.78 0.02 0.00 0.36 0.00 0.00 54.97 56.02 1pcx s GLU 597 Cb -0.16 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 1pcx s GLU 597 CO 0.07 0.36 -0.12 0.08 -0.54 0.00 0.00 175.26 175.10 1pcx s VAL 598 N -0.17 3.25 0.19 3.70 1.01 0.15 -0.92 120.40 127.60 1pcx s VAL 598 Ca 0.32 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.74 1pcx s VAL 598 Cb -0.19 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1pcx s VAL 598 CO 0.18 0.59 -0.06 0.20 0.00 0.00 0.00 175.10 176.01 1pcx s ASN 599 N -0.65 4.44 -0.27 3.32 -0.87 0.12 -4.53 114.94 116.49 1pcx s ASN 599 Ca 0.10 -0.54 0.03 0.00 -1.57 0.00 0.00 52.86 50.88 1pcx s ASN 599 Cb -0.11 -0.82 0.07 0.00 -0.02 0.00 0.00 41.25 40.37 1pcx s ASN 599 CO 0.01 0.08 -0.07 -0.69 -2.57 0.00 0.00 177.10 173.87 1pcx s VAL 600 N -1.82 2.10 0.00 1.60 1.01 -1.26 -1.04 120.40 120.99 1pcx s VAL 600 Ca 0.27 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.52 1pcx s VAL 600 Cb -0.09 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1pcx s VAL 600 CO 0.17 -0.16 0.00 0.47 0.00 0.00 0.00 175.10 175.58 1pcx n ASP 601 N 4.43 0.00 -4.80 3.32 8.00 -0.28 -4.32 116.55 122.89 1pcx n ASP 601 Ca -0.10 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.07 1pcx n ASP 601 Cb 0.42 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.51 1pcx n ASP 601 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1pcx s GLU 602 N 0.00 3.57 0.27 -1.24 2.02 -1.26 -4.58 118.70 117.48 1pcx s GLU 602 Ca 0.00 1.24 -0.30 0.00 0.02 0.00 0.00 54.97 55.94 1pcx s GLU 602 Cb 0.00 -2.07 -0.10 0.00 0.10 0.00 0.00 34.13 32.06 1pcx s GLU 602 CO 0.00 -0.61 1.41 -1.12 0.02 0.00 0.00 175.26 174.96 1pcx s SER 603 N -2.49 6.68 0.12 -0.19 0.01 -1.26 -4.70 113.70 111.87 1pcx s SER 603 Ca 0.65 2.67 -0.30 0.00 1.31 0.00 0.00 55.95 60.28 1pcx s SER 603 Cb -0.16 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.38 1pcx s SER 603 CO 0.30 -0.66 0.96 -0.63 0.41 0.00 0.00 173.24 173.61 1pcx s ILE 604 N -0.27 4.46 -0.19 1.44 1.01 -0.55 -4.95 121.20 122.14 1pcx s ILE 604 Ca 0.57 2.07 -0.09 0.00 0.00 0.00 0.00 60.65 63.20 1pcx s ILE 604 Cb -0.41 -4.32 -0.21 0.00 0.01 0.00 0.00 42.46 37.53 1pcx s ILE 604 CO 0.46 0.34 0.10 0.23 0.00 0.00 0.00 174.94 176.06 1pcx n MET 605 N 2.65 0.67 -1.01 2.79 2.81 -1.26 -4.85 117.12 118.92 1pcx n MET 605 Ca 0.02 0.30 -0.29 0.00 -1.81 0.00 0.00 57.70 55.92 1pcx n MET 605 Cb 0.49 -1.64 0.21 0.00 -0.71 0.00 0.00 33.22 31.56 1pcx n MET 605 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pcx s ALA 606 N -2.50 0.50 -2.19 3.04 0.00 -1.26 -4.94 121.76 114.41 1pcx s ALA 606 Ca -0.29 -0.43 0.18 0.00 0.00 0.00 0.00 51.96 51.42 1pcx s ALA 606 Cb 0.08 -3.10 0.55 0.00 0.00 0.00 0.00 23.12 20.65 1pcx s ALA 606 CO 0.66 -3.24 1.43 -0.25 0.00 0.00 0.00 175.76 174.36 1pcx n ASP 607 N -4.47 2.17 -3.78 0.00 8.00 -1.26 -4.80 116.55 112.41 1pcx n ASP 607 Ca 0.06 -1.87 -0.13 0.00 0.71 0.00 0.00 54.79 53.56 1pcx n ASP 607 Cb 0.57 -0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 41.38 1pcx n ASP 607 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1pcx s TYR 608 N -1.60 -0.21 0.18 1.24 1.51 -1.26 -0.78 117.35 116.44 1pcx s TYR 608 Ca 0.32 0.41 0.05 0.00 -1.01 0.00 0.00 57.07 56.84 1pcx s TYR 608 Cb 0.17 0.08 -0.05 0.00 -0.11 0.00 0.00 41.96 42.06 1pcx s TYR 608 CO 0.24 -0.30 -0.10 0.00 -1.11 0.00 0.00 175.55 174.29 1pcx s TYR 610 N -3.23 0.40 -0.03 0.00 1.51 -1.26 -2.05 117.35 112.69 1pcx s TYR 610 Ca 0.21 -0.91 0.01 0.00 -1.01 0.00 0.00 57.07 55.36 1pcx s TYR 610 Cb 0.02 -0.29 0.03 0.00 -0.11 0.00 0.00 41.96 41.61 1pcx s TYR 610 CO 0.04 -0.42 -0.01 0.08 -1.11 0.00 0.00 175.55 174.13 1pcx s VAL 611 N -3.80 0.27 -0.17 0.71 1.01 -0.75 -0.07 120.40 117.59 1pcx s VAL 611 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1pcx s VAL 611 Cb 0.06 -0.35 0.03 0.00 0.00 0.00 0.00 36.38 36.13 1pcx s VAL 611 CO -0.10 0.17 -0.12 -1.58 0.00 0.00 0.00 175.10 173.47 1pcx s GLN 612 N 1.02 2.13 -0.04 2.72 0.74 0.66 -0.99 119.66 125.91 1pcx s GLN 612 Ca -0.10 -0.67 -0.16 0.00 0.05 0.00 0.00 55.36 54.48 1pcx s GLN 612 Cb -0.14 -2.22 -0.05 0.00 1.10 0.00 0.00 33.01 31.70 1pcx s GLN 612 CO -0.01 -0.33 0.44 0.08 -0.55 0.00 0.00 175.29 174.93 1pcx s VAL 613 N 1.46 5.06 -0.02 1.34 1.01 0.36 -0.04 120.40 129.57 1pcx s VAL 613 Ca 0.02 0.91 0.05 0.00 0.00 0.00 0.00 61.98 62.96 1pcx s VAL 613 Cb -0.14 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1pcx s VAL 613 CO -0.09 0.48 -0.17 0.00 0.00 0.00 0.00 175.10 175.32 1pcx s ALA 614 N -0.45 1.44 -0.24 5.51 0.00 0.81 -1.37 121.76 127.47 1pcx s ALA 614 Ca 0.25 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1pcx s ALA 614 Cb -0.16 -0.38 0.07 0.00 0.00 0.00 0.00 23.12 22.64 1pcx s ALA 614 CO 0.13 0.34 0.00 0.08 0.00 0.00 0.00 175.76 176.31 1pcx s VAL 615 N -0.36 1.14 -0.45 0.00 1.01 -0.24 -2.05 120.40 119.45 1pcx s VAL 615 Ca 0.06 -1.08 -0.21 0.00 0.00 0.00 0.00 61.98 60.75 1pcx s VAL 615 Cb -0.07 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.77 1pcx s VAL 615 CO -0.00 -0.25 0.66 -0.22 0.00 0.00 0.00 175.10 175.29 1pcx s LEU 616 N 1.56 4.55 0.21 3.92 2.96 -0.74 -1.45 118.68 129.69 1pcx s LEU 616 Ca -0.01 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.50 1pcx s LEU 616 Cb -0.18 -2.69 -0.05 0.00 0.50 0.00 0.00 46.19 43.77 1pcx s LEU 616 CO -0.10 -0.82 0.00 -1.48 -1.32 0.00 0.00 176.35 172.64 1pcx s LEU 617 N 2.85 2.12 -0.26 -0.68 0.05 -0.54 -1.64 118.68 120.58 1pcx s LEU 617 Ca 0.22 -1.21 0.02 0.00 0.05 0.00 0.00 54.13 53.21 1pcx s LEU 617 Cb -0.15 -0.17 0.07 0.00 -2.05 0.00 0.00 46.19 43.89 1pcx s LEU 617 CO 0.18 -0.55 -0.07 -0.44 -0.55 0.00 0.00 176.35 174.92 1pcx s SER 618 N -3.26 4.27 0.89 1.48 0.01 -0.78 -1.37 113.70 114.94 1pcx s SER 618 Ca 0.27 -1.41 -0.12 0.00 1.31 0.00 0.00 55.95 56.01 1pcx s SER 618 Cb 0.06 -1.42 0.12 0.00 0.21 0.00 0.00 66.02 65.00 1pcx s SER 618 CO 0.07 -0.23 1.10 -0.22 0.41 0.00 0.00 173.24 174.37 1pcx s LEU 619 N 1.19 2.21 -0.03 2.44 2.96 0.21 -0.52 118.68 127.14 1pcx s LEU 619 Ca -0.05 1.30 0.00 0.00 -0.22 0.00 0.00 54.13 55.16 1pcx s LEU 619 Cb -0.19 -3.73 0.05 0.00 0.50 0.00 0.00 46.19 42.82 1pcx s LEU 619 CO -0.06 -2.51 1.07 -0.46 -1.32 0.00 0.00 176.35 173.08 1pcx n ASN 620 N -3.78 3.07 -1.38 3.68 6.94 -1.21 -3.00 115.26 119.58 1pcx n ASN 620 Ca 0.07 -2.12 0.01 0.00 -0.02 0.00 0.00 54.58 52.52 1pcx n ASN 620 Cb 0.56 -0.53 0.09 0.00 -2.36 0.00 0.00 39.78 37.55 1pcx n ASN 620 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1pcx n ASN 621 N 0.38 1.72 -2.18 0.53 0.23 -1.26 -4.25 115.26 110.43 1pcx n ASN 621 Ca 0.04 -2.87 -0.15 0.00 -0.53 0.00 0.00 54.58 51.07 1pcx n ASN 621 Cb 0.59 -0.41 -0.02 0.00 -2.08 0.00 0.00 39.78 37.86 1pcx n ASN 621 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1pcx n SER 622 N -0.34 -4.42 -4.50 0.53 7.64 -1.16 -4.89 113.62 106.48 1pcx n SER 622 Ca 0.15 0.19 -0.31 0.00 1.01 0.00 0.00 58.87 59.91 1pcx n SER 622 Cb 0.92 -3.80 -0.12 0.00 -1.01 0.00 0.00 64.21 60.21 1pcx n SER 622 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1pcx s GLN 623 N -4.60 2.16 -0.24 1.43 -0.21 -1.25 -4.72 119.66 112.23 1pcx s GLN 623 Ca 0.00 -0.95 -0.09 0.00 0.02 0.00 0.00 55.36 54.35 1pcx s GLN 623 Cb 0.00 -2.26 -0.04 0.00 1.00 0.00 0.00 33.01 31.71 1pcx s GLN 623 CO 0.00 0.54 0.11 0.50 -2.12 0.00 0.00 175.29 174.32 1pcx s ARG 624 N -1.57 3.84 0.26 2.91 6.06 -1.26 -0.62 118.95 128.57 1pcx s ARG 624 Ca 0.16 -0.39 0.03 0.00 -2.50 0.00 0.00 55.73 53.04 1pcx s ARG 624 Cb -0.11 -3.41 -0.05 0.00 0.06 0.00 0.00 34.95 31.44 1pcx s ARG 624 CO 0.07 -0.06 0.04 1.03 -2.50 0.00 0.00 175.30 173.88 1pcx s ARG 625 N 1.33 1.43 -0.11 5.12 0.52 -0.47 -0.24 118.95 126.53 1pcx s ARG 625 Ca 0.06 -1.75 -0.02 0.00 -0.52 0.00 0.00 55.73 53.49 1pcx s ARG 625 Cb -0.15 -0.57 0.04 0.00 0.52 0.00 0.00 34.95 34.79 1pcx s ARG 625 CO 0.05 -0.17 0.04 0.42 0.02 0.00 0.00 175.30 175.65 1pcx s ILE 626 N -3.49 0.23 -0.20 1.52 1.01 -0.69 -1.47 121.20 118.12 1pcx s ILE 626 Ca 0.33 -0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.90 1pcx s ILE 626 Cb 0.07 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 1pcx s ILE 626 CO 0.12 0.06 0.08 -0.60 0.00 0.00 0.00 174.94 174.59 1pcx s ARG 627 N 2.02 3.96 0.03 2.79 3.52 -0.53 -0.50 118.95 130.23 1pcx s ARG 627 Ca 0.03 -0.35 0.06 0.00 -0.13 0.00 0.00 55.73 55.34 1pcx s ARG 627 Cb -0.14 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 1pcx s ARG 627 CO -0.06 0.19 -0.15 0.42 -0.81 0.00 0.00 175.30 174.90 1pcx s ILE 628 N 0.60 3.02 -0.16 4.11 -1.09 -0.08 -1.08 121.20 126.52 1pcx s ILE 628 Ca 0.04 -1.06 -0.03 0.00 -2.23 0.00 0.00 60.65 57.37 1pcx s ILE 628 Cb -0.13 -2.28 0.05 0.00 -1.58 0.00 0.00 42.46 38.53 1pcx s ILE 628 CO 0.01 0.36 0.06 -0.63 -1.23 0.00 0.00 174.94 173.51 1pcx s ILE 629 N -0.93 0.21 -0.14 2.92 1.01 -0.47 -2.26 121.20 121.53 1pcx s ILE 629 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 1pcx s ILE 629 Cb -0.11 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.63 1pcx s ILE 629 CO 0.06 -0.15 -0.10 -0.89 0.00 0.00 0.00 174.94 173.86 1pcx s THR 630 N 2.01 3.29 -0.08 2.92 2.01 -0.64 -0.49 115.64 124.66 1pcx s THR 630 Ca 0.01 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.48 1pcx s THR 630 Cb -0.16 -2.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.95 1pcx s THR 630 CO -0.08 0.51 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.93 1pcx s LEU 631 N 0.44 1.97 -0.10 4.42 2.96 -0.16 -2.68 118.68 125.53 1pcx s LEU 631 Ca -0.08 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.37 1pcx s LEU 631 Cb -0.15 -1.22 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 1pcx s LEU 631 CO 0.04 0.15 -0.13 0.00 -1.32 0.00 0.00 176.35 175.10 1pcx s ALA 632 N 0.25 2.67 0.00 5.97 0.00 -1.26 -1.81 121.76 127.58 1pcx s ALA 632 Ca -0.13 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 50.95 1pcx s ALA 632 Cb -0.16 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 1pcx s ALA 632 CO 0.06 0.36 -0.07 -1.64 0.00 0.00 0.00 175.76 174.46 1pcx s MET 633 N -0.03 0.57 0.58 0.00 1.00 -0.87 -4.93 119.30 115.62 1pcx s MET 633 Ca -0.03 -0.30 -0.18 0.00 0.00 0.00 0.00 55.69 55.18 1pcx s MET 633 Cb -0.14 -0.53 -0.04 0.00 0.00 0.00 0.00 34.83 34.12 1pcx s MET 633 CO 0.04 0.14 1.11 -2.14 0.00 0.00 0.00 175.02 174.17 1pcx s PRO 634 N -0.31 3.21 0.30 2.03 0.02 -1.26 -1.58 135.00 137.40 1pcx s PRO 634 Ca 0.02 1.47 0.07 0.00 0.02 0.00 0.00 61.00 62.58 1pcx s PRO 634 Cb -0.03 -2.00 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 1pcx s PRO 634 CO -0.00 -0.94 0.25 0.95 -0.33 0.00 0.00 177.00 176.93 1pcx s THR 635 N -2.05 3.97 -0.05 0.99 -4.23 0.04 -0.93 115.64 113.38 1pcx s THR 635 Ca 0.69 -1.39 -0.29 0.00 -1.18 0.00 0.00 61.69 59.52 1pcx s THR 635 Cb -0.21 -3.29 0.10 0.00 1.34 0.00 0.00 72.50 70.44 1pcx s THR 635 CO 0.32 -0.26 0.84 0.28 -0.54 0.00 0.00 174.62 175.26 1pcx s THR 636 N -2.22 0.00 -1.33 3.99 -1.32 -0.70 -4.86 115.64 109.21 1pcx s THR 636 Ca 0.37 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.96 1pcx s THR 636 Cb -0.07 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.00 1pcx s THR 636 CO 0.26 0.00 0.82 -0.62 -2.21 0.00 0.00 174.62 172.87 1pcx n GLU 637 N 0.35 0.73 -2.99 7.08 1.02 -1.26 -0.90 120.64 124.67 1pcx n GLU 637 Ca -0.13 -1.09 -0.42 0.00 -0.02 0.00 0.00 57.16 55.50 1pcx n GLU 637 Cb 0.60 -1.20 -0.05 0.00 -0.02 0.00 0.00 31.44 30.76 1pcx n GLU 637 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1pcx s SER 638 N -0.98 6.48 0.20 1.62 0.15 -1.26 -4.94 113.70 114.97 1pcx s SER 638 Ca 0.12 0.17 -0.11 0.00 0.70 0.00 0.00 55.95 56.83 1pcx s SER 638 Cb 0.09 -2.38 0.21 0.00 -1.71 0.00 0.00 66.02 62.23 1pcx s SER 638 CO 0.15 -0.77 1.78 0.25 1.20 0.00 0.00 173.24 175.86 1pcx h LEU 639 N 9.80 0.38 -0.73 3.45 5.85 -1.96 -0.39 115.31 131.72 1pcx h LEU 639 Ca -0.25 0.04 0.14 0.00 0.84 0.00 0.00 57.88 58.66 1pcx h LEU 639 Cb 1.09 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.00 1pcx h LEU 639 CO 0.91 0.25 0.25 0.00 -0.34 0.00 0.00 178.44 179.51 1pcx h ALA 640 N 1.34 0.99 -0.61 1.25 0.00 -1.92 -0.59 119.26 119.72 1pcx h ALA 640 Ca 0.27 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.24 1pcx h ALA 640 Cb 0.22 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1pcx h ALA 640 CO -0.21 -0.26 0.08 0.93 0.00 0.00 0.00 179.25 179.80 1pcx h GLU 641 N 0.37 1.01 -0.27 0.00 5.08 -1.44 -1.09 114.58 118.23 1pcx h GLU 641 Ca 0.40 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1pcx h GLU 641 Cb 0.63 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1pcx h GLU 641 CO -0.43 0.94 0.12 0.28 -1.00 0.00 0.00 179.01 178.92 1pcx h VAL 642 N 0.94 0.97 -0.28 3.13 2.07 -0.11 -2.59 116.25 120.38 1pcx h VAL 642 Ca 0.19 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 1pcx h VAL 642 Cb 0.43 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1pcx h VAL 642 CO 0.01 0.05 0.09 1.88 0.02 0.00 0.00 177.57 179.62 1pcx h TYR 643 N 0.26 0.44 -0.00 1.57 -1.99 -1.00 -2.85 116.97 113.41 1pcx h TYR 643 Ca 0.12 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.80 1pcx h TYR 643 Cb 0.05 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 38.65 1pcx h TYR 643 CO -0.11 0.47 0.02 0.00 -0.00 0.00 0.00 178.16 178.55 1pcx h ALA 644 N 0.93 1.03 -0.37 3.88 0.00 -0.95 -1.64 119.26 122.14 1pcx h ALA 644 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pcx h ALA 644 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1pcx h ALA 644 CO -0.00 -0.02 0.00 0.43 0.00 0.00 0.00 179.25 179.65 1pcx n SER 645 N -3.07 3.58 -4.75 0.00 7.64 -1.00 -4.84 113.62 111.18 1pcx n SER 645 Ca -0.03 -2.43 -0.41 0.00 1.01 0.00 0.00 58.87 57.01 1pcx n SER 645 Cb 0.09 -0.40 -0.04 0.00 -1.01 0.00 0.00 64.21 62.85 1pcx n SER 645 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pcx s ALA 646 N -1.78 3.41 -0.80 -0.43 0.00 -0.62 -1.85 121.76 119.70 1pcx s ALA 646 Ca 0.35 0.91 -0.17 0.00 0.00 0.00 0.00 51.96 53.05 1pcx s ALA 646 Cb 0.23 -3.37 0.16 0.00 0.00 0.00 0.00 23.12 20.14 1pcx s ALA 646 CO 0.15 -0.27 0.86 0.34 0.00 0.00 0.00 175.76 176.85 1pcx s ASP 647 N -0.29 6.56 0.30 0.00 -1.08 0.30 -4.63 116.67 117.83 1pcx s ASP 647 Ca 0.49 -2.15 0.05 0.00 -0.52 0.00 0.00 52.55 50.42 1pcx s ASP 647 Cb -0.32 -2.29 0.73 0.00 -1.46 0.00 0.00 42.92 39.57 1pcx s ASP 647 CO 0.38 -0.88 1.75 0.06 0.52 0.00 0.00 175.17 177.01 1pcx h GLN 648 N 8.50 0.63 -0.03 4.34 3.07 -1.86 0.31 115.11 130.06 1pcx h GLN 648 Ca 0.01 -0.04 -0.15 0.00 0.09 0.00 0.00 58.65 58.57 1pcx h GLN 648 Cb 1.05 -0.14 -0.02 0.00 0.08 0.00 0.00 27.48 28.45 1pcx h GLN 648 CO 0.96 0.42 -0.65 -0.07 0.09 0.00 0.00 178.83 179.57 1pcx h LEU 649 N 0.65 0.15 -0.03 0.06 3.38 -1.91 0.60 115.31 118.20 1pcx h LEU 649 Ca 0.57 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.42 1pcx h LEU 649 Cb 0.94 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1pcx h LEU 649 CO -0.42 0.76 -0.07 0.00 0.09 0.00 0.00 178.44 178.80 1pcx h ALA 650 N 1.24 0.04 -0.59 1.53 0.00 -1.37 -2.34 119.26 117.78 1pcx h ALA 650 Ca -0.01 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.64 1pcx h ALA 650 Cb 1.17 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1pcx h ALA 650 CO 0.09 -0.10 0.26 0.82 0.00 0.00 0.00 179.25 180.33 1pcx h ILE 651 N -0.48 0.86 -0.70 0.00 2.04 -0.44 0.77 117.51 119.57 1pcx h ILE 651 Ca -0.00 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.77 1pcx h ILE 651 Cb 0.68 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 1pcx h ILE 651 CO 0.01 0.09 0.37 0.00 0.00 0.00 0.00 178.15 178.63 1pcx h ALA 652 N 1.36 0.95 -0.14 1.87 0.00 -0.87 -1.73 119.26 120.70 1pcx h ALA 652 Ca 0.28 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1pcx h ALA 652 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1pcx h ALA 652 CO -0.24 0.02 0.09 1.03 0.00 0.00 0.00 179.25 180.15 1pcx h SER 653 N 0.66 0.16 -0.19 0.00 0.87 -0.47 -0.62 113.55 113.95 1pcx h SER 653 Ca 0.33 -0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.92 1pcx h SER 653 Cb 0.27 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.12 1pcx h SER 653 CO -0.22 0.12 -0.51 0.15 -0.53 0.00 0.00 176.83 175.84 1pcx h PHE 654 N 0.19 -1.52 0.00 2.24 3.57 -0.07 -0.80 116.94 120.54 1pcx h PHE 654 Ca 0.05 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1pcx h PHE 654 Cb -0.02 0.69 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1pcx h PHE 654 CO -0.07 -0.52 -0.13 1.88 -2.23 0.00 0.00 178.31 177.24 1pcx h TYR 655 N -0.52 0.00 -0.22 0.41 -1.99 -1.26 -0.47 116.97 112.92 1pcx h TYR 655 Ca 0.06 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 1pcx h TYR 655 Cb 0.66 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.37 1pcx h TYR 655 CO -0.59 0.13 0.13 -0.97 -0.00 0.00 0.00 178.16 176.86 1pcx h ASN 656 N 0.00 0.27 -0.08 3.88 -1.24 0.24 0.16 115.58 118.81 1pcx h ASN 656 Ca -0.00 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 56.94 1pcx h ASN 656 Cb 0.27 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.25 1pcx h ASN 656 CO 0.02 0.26 0.02 0.28 -1.29 0.00 0.00 177.43 176.72 1pcx h SER 657 N 0.26 0.11 -0.98 1.15 0.02 -0.29 -1.41 113.55 112.42 1pcx h SER 657 Ca 0.08 -0.20 0.17 0.00 -0.84 0.00 0.00 61.79 61.00 1pcx h SER 657 Cb 0.04 -0.03 -0.09 0.00 0.14 0.00 0.00 62.40 62.46 1pcx h SER 657 CO -0.01 0.29 0.61 0.11 -1.14 0.00 0.00 176.83 176.68 1pcx h LYS 658 N -0.07 0.73 -0.55 3.45 1.79 -0.86 0.47 116.57 121.53 1pcx h LYS 658 Ca 0.02 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 1pcx h LYS 658 Cb 0.21 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1pcx h LYS 658 CO -0.00 0.48 0.08 0.00 -1.08 0.00 0.00 179.45 178.93 1pcx h ALA 659 N 1.61 0.74 -0.47 3.86 0.00 -0.21 0.15 119.26 124.94 1pcx h ALA 659 Ca 0.53 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1pcx h ALA 659 Cb 0.85 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1pcx h ALA 659 CO -0.31 0.49 0.07 0.28 0.00 0.00 0.00 179.25 179.79 1pcx h VAL 660 N 0.81 1.22 0.26 0.00 2.07 0.13 -0.88 116.25 119.86 1pcx h VAL 660 Ca 0.17 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1pcx h VAL 660 Cb 0.43 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1pcx h VAL 660 CO 0.01 0.30 -0.12 -0.08 0.02 0.00 0.00 177.57 177.70 1pcx h GLU 661 N 0.70 -0.33 -0.93 1.57 4.81 -0.89 -0.65 114.58 118.85 1pcx h GLU 661 Ca 0.15 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.58 1pcx h GLU 661 Cb 0.32 0.08 -0.11 0.00 0.63 0.00 0.00 28.75 29.67 1pcx h GLU 661 CO 0.00 0.02 0.52 -0.22 -0.73 0.00 0.00 179.01 178.60 1pcx h LYS 662 N -0.77 0.63 0.04 1.92 1.63 -0.80 -0.77 116.57 118.46 1pcx h LYS 662 Ca -0.04 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1pcx h LYS 662 Cb 0.50 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1pcx h LYS 662 CO 0.06 0.42 -0.02 0.00 -3.45 0.00 0.00 179.45 176.46 1pcx h ALA 663 N 1.63 -0.41 0.00 5.00 0.00 -1.12 0.84 119.26 125.20 1pcx h ALA 663 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1pcx h ALA 663 Cb 0.84 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1pcx h ALA 663 CO -0.40 -0.41 0.05 1.28 0.00 0.00 0.00 179.25 179.77 1pcx n LEU 664 N -2.28 0.00 0.00 0.00 4.77 -0.26 -2.00 117.00 117.23 1pcx n LEU 664 Ca -0.01 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1pcx n LEU 664 Cb 0.02 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1pcx n LEU 664 CO 0.01 -0.09 -0.18 0.59 -1.33 0.00 0.00 177.39 176.39 1pcx n ASN 665 N -0.96 1.84 0.00 -1.43 3.02 -0.30 -5.03 115.26 112.40 1pcx n ASN 665 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1pcx n ASN 665 Cb 0.05 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1pcx n ASN 665 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1pcx n SER 666 N -0.96 0.00 -3.60 6.41 2.88 0.27 -5.04 113.62 113.58 1pcx n SER 666 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1pcx n SER 666 Cb 0.15 -0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.54 1pcx n SER 666 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pcx s SER 667 N -2.03 -0.23 0.11 -3.46 0.15 -0.16 -4.95 113.70 103.13 1pcx s SER 667 Ca 0.00 0.22 -0.23 0.00 0.70 0.00 0.00 55.95 56.64 1pcx s SER 667 Cb 0.00 0.19 -0.08 0.00 -1.71 0.00 0.00 66.02 64.42 1pcx s SER 667 CO 0.00 -0.23 1.69 -0.07 1.20 0.00 0.00 173.24 175.84 1pcx h LEU 668 N 2.31 -0.30 -0.89 3.45 4.07 -1.85 -1.39 115.31 120.71 1pcx h LEU 668 Ca -0.14 0.05 0.07 0.00 0.08 0.00 0.00 57.88 57.94 1pcx h LEU 668 Cb 1.17 0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.98 1pcx h LEU 668 CO 0.27 -0.15 0.55 -0.78 -1.08 0.00 0.00 178.44 177.26 1pcx h ASP 669 N -0.17 0.87 -0.78 -0.43 1.82 -1.95 0.13 116.42 115.91 1pcx h ASP 669 Ca 0.05 0.02 0.06 0.00 -0.39 0.00 0.00 57.03 56.76 1pcx h ASP 669 Cb 0.23 -0.16 -0.05 0.00 0.68 0.00 0.00 39.33 40.03 1pcx h ASP 669 CO -0.12 0.55 0.51 0.44 -1.61 0.00 0.00 179.24 179.01 1pcx h ASP 670 N 1.00 0.76 0.49 2.28 5.19 -1.79 0.11 116.42 124.46 1pcx h ASP 670 Ca 0.39 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.78 1pcx h ASP 670 Cb 0.19 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.55 1pcx h ASP 670 CO -0.18 0.50 -0.23 0.00 -3.12 0.00 0.00 179.24 176.21 1pcx h ALA 671 N 1.57 -0.65 -0.33 3.45 0.00 0.30 0.13 119.26 123.72 1pcx h ALA 671 Ca 0.33 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1pcx h ALA 671 Cb 0.18 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1pcx h ALA 671 CO -0.11 -0.83 0.06 0.00 0.00 0.00 0.00 179.25 178.37 1pcx h ARG 672 N -0.73 0.16 -0.98 0.00 3.08 -0.67 0.20 114.38 115.44 1pcx h ARG 672 Ca -0.07 -0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.12 1pcx h ARG 672 Cb 0.54 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.46 1pcx h ARG 672 CO 0.11 0.11 0.62 0.28 -1.07 0.00 0.00 179.97 180.02 1pcx h VAL 673 N 0.17 0.84 -0.22 2.04 2.07 -0.58 0.94 116.25 121.51 1pcx h VAL 673 Ca 0.16 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 1pcx h VAL 673 Cb 0.18 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1pcx h VAL 673 CO -0.21 0.16 -0.20 0.25 0.02 0.00 0.00 177.57 177.59 1pcx h LEU 674 N 0.86 0.55 -0.06 2.57 6.46 0.10 -1.97 115.31 123.83 1pcx h LEU 674 Ca 0.51 -0.47 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1pcx h LEU 674 Cb 0.67 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1pcx h LEU 674 CO -0.29 0.90 0.04 0.40 -0.62 0.00 0.00 178.44 178.87 1pcx h ILE 675 N 0.21 1.05 -0.11 4.05 2.04 0.52 -1.44 117.51 123.82 1pcx h ILE 675 Ca 0.04 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 1pcx h ILE 675 Cb 0.74 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1pcx h ILE 675 CO 0.05 0.04 -0.15 0.78 0.00 0.00 0.00 178.15 178.87 1pcx h ASN 676 N 0.04 0.17 -0.33 1.72 2.35 -0.90 -2.60 115.58 116.03 1pcx h ASN 676 Ca 0.02 -0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 55.57 1pcx h ASN 676 Cb 0.04 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1pcx h ASN 676 CO -0.00 0.34 -0.44 0.50 -1.65 0.00 0.00 177.43 176.17 1pcx h LYS 677 N 0.17 0.89 -1.01 0.81 3.64 -0.91 -2.14 116.57 118.02 1pcx h LYS 677 Ca 0.03 -0.51 0.24 0.00 -1.27 0.00 0.00 60.65 59.15 1pcx h LYS 677 Cb 0.37 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.13 1pcx h LYS 677 CO 0.02 1.15 0.63 0.66 -2.27 0.00 0.00 179.45 179.65 1pcx h SER 678 N 0.68 0.57 0.50 4.20 4.64 -0.87 0.38 113.55 123.65 1pcx h SER 678 Ca 0.04 0.10 -0.23 0.00 -0.47 0.00 0.00 61.79 61.23 1pcx h SER 678 Cb 1.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1pcx h SER 678 CO 0.10 0.14 -0.99 0.58 -0.87 0.00 0.00 176.83 175.79 1pcx h VAL 679 N 0.52 1.46 0.03 0.95 2.07 -1.49 -3.06 116.25 116.73 1pcx h VAL 679 Ca 0.59 -2.67 -0.00 0.00 0.82 0.00 0.00 66.70 65.44 1pcx h VAL 679 Cb 1.28 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.62 1pcx h VAL 679 CO -0.35 0.79 -0.01 -0.61 0.02 0.00 0.00 177.57 177.40 1pcx h GLN 680 N 0.15 -0.04 -0.67 1.57 4.15 0.05 -1.86 115.11 118.46 1pcx h GLN 680 Ca -0.08 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.48 1pcx h GLN 680 Cb 1.65 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 29.25 1pcx h GLN 680 CO 0.16 0.53 0.13 -0.44 -1.93 0.00 0.00 178.83 177.29 1pcx h ASP 681 N -0.64 -0.04 0.49 -0.69 3.32 -0.54 0.38 116.42 118.69 1pcx h ASP 681 Ca -0.00 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1pcx h ASP 681 Cb 0.59 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1pcx h ASP 681 CO 0.01 -0.04 -0.23 0.40 -1.72 0.00 0.00 179.24 177.66 1pcx h ILE 682 N 0.24 0.43 -0.74 0.35 2.04 -1.53 0.24 117.51 118.54 1pcx h ILE 682 Ca 0.37 -0.39 0.12 0.00 1.00 0.00 0.00 64.86 65.96 1pcx h ILE 682 Cb 0.60 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1pcx h ILE 682 CO -0.48 0.06 0.49 -0.07 0.00 0.00 0.00 178.15 178.15 1pcx h LEU 683 N -0.91 0.49 -0.12 1.44 3.38 -0.87 0.12 115.31 118.84 1pcx h LEU 683 Ca -0.07 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1pcx h LEU 683 Cb 0.59 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1pcx h LEU 683 CO 0.11 0.28 -0.28 0.00 0.09 0.00 0.00 178.44 178.63 1pcx h ALA 684 N 1.64 0.20 -0.33 1.53 0.00 -0.14 -2.91 119.26 119.25 1pcx h ALA 684 Ca 0.36 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1pcx h ALA 684 Cb 0.65 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1pcx h ALA 684 CO -0.12 0.21 0.13 1.15 0.00 0.00 0.00 179.25 180.62 1pcx h THR 685 N -0.00 1.19 -0.62 0.00 2.02 0.10 -2.33 112.91 113.27 1pcx h THR 685 Ca -0.00 -0.58 0.04 0.00 0.77 0.00 0.00 66.41 66.64 1pcx h THR 685 Cb 0.89 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 68.21 1pcx h THR 685 CO 0.06 0.20 0.36 0.22 0.37 0.00 0.00 175.52 176.73 1pcx h TYR 686 N 0.38 0.66 0.54 3.16 3.20 -0.91 -1.00 116.97 122.99 1pcx h TYR 686 Ca 0.11 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1pcx h TYR 686 Cb 0.19 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1pcx h TYR 686 CO -0.00 0.34 -0.50 -0.22 -1.64 0.00 0.00 178.16 176.14 1pcx h LYS 687 N 0.68 -1.00 -0.03 1.82 3.64 -1.28 -1.70 116.57 118.70 1pcx h LYS 687 Ca 0.26 0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.59 1pcx h LYS 687 Cb 0.10 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1pcx h LYS 687 CO -0.14 -0.66 -0.56 -0.22 -2.27 0.00 0.00 179.45 175.60 1pcx h LYS 688 N -1.03 0.10 -0.19 1.90 3.64 -1.33 -3.26 116.57 116.40 1pcx h LYS 688 Ca -0.07 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1pcx h LYS 688 Cb 0.89 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1pcx h LYS 688 CO -0.04 0.64 0.00 0.39 -2.27 0.00 0.00 179.45 178.16 1pcx n GLU 689 N -3.89 2.09 -3.99 1.90 -0.58 -0.39 -4.90 120.64 110.89 1pcx n GLU 689 Ca -0.02 -1.62 -0.14 0.00 -0.42 0.00 0.00 57.16 54.96 1pcx n GLU 689 Cb 0.57 -1.46 -0.14 0.00 -0.57 0.00 0.00 31.44 29.84 1pcx n GLU 689 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1pcx s ILE 690 N -1.77 0.18 0.36 -3.67 1.01 -0.64 -4.92 121.20 111.74 1pcx s ILE 690 Ca 0.34 -0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.98 1pcx s ILE 690 Cb 0.20 -0.17 -0.00 0.00 0.01 0.00 0.00 42.46 42.50 1pcx s ILE 690 CO 0.30 0.06 0.50 0.68 0.00 0.00 0.00 174.94 176.48 1pcx s VAL 691 N 0.06 3.85 0.00 2.92 -7.23 -1.26 -4.72 120.40 114.02 1pcx s VAL 691 Ca -0.00 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 1pcx s VAL 691 Cb -0.02 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.59 1pcx s VAL 691 CO -0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 175.10 174.66 1pcx n ALA 696 N -1.71 0.00 -3.00 1.32 0.00 -1.26 -5.24 120.51 110.63 1pcx n ALA 696 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1pcx n ALA 696 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1pcx n ALA 696 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pcx n GLY 697 N 0.00 5.06 0.00 0.00 0.00 -1.26 -5.16 105.19 103.83 1pcx n GLY 697 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1pcx n GLY 697 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pcx n GLY 698 N 0.00 0.07 2.49 -0.02 0.00 -1.26 -5.03 105.19 101.45 1pcx n GLY 698 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1pcx n GLY 698 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pcx n ALA 699 N -3.00 3.01 -2.07 4.61 0.00 -1.26 -5.12 120.51 116.68 1pcx n ALA 699 Ca 0.00 -3.59 -0.19 0.00 0.00 0.00 0.00 53.44 49.66 1pcx n ALA 699 Cb 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 19.45 18.63 1pcx n ALA 699 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1pcx s PRO 700 N -0.63 2.78 -0.43 0.00 0.04 -1.26 -5.06 135.00 130.45 1pcx s PRO 700 Ca 0.32 -1.00 -0.08 0.00 0.04 0.00 0.00 61.00 60.28 1pcx s PRO 700 Cb 0.04 -2.66 0.09 0.00 0.04 0.00 0.00 34.50 32.02 1pcx s PRO 700 CO -0.17 -0.39 0.27 -1.17 0.04 0.00 0.00 177.00 175.58 1pcx s LEU 701 N -4.49 5.26 0.31 -3.56 2.96 -1.26 -5.03 118.68 112.87 1pcx s LEU 701 Ca 0.54 -1.65 -0.19 0.00 -0.22 0.00 0.00 54.13 52.60 1pcx s LEU 701 Cb -0.10 -1.97 -0.09 0.00 0.50 0.00 0.00 46.19 44.53 1pcx s LEU 701 CO 0.35 -0.57 0.81 -0.13 -1.32 0.00 0.00 176.35 175.49 1pcx s ARG 702 N 1.37 4.22 -0.21 1.98 0.52 -1.26 -1.00 118.95 124.57 1pcx s ARG 702 Ca 0.04 0.92 -0.34 0.00 -0.52 0.00 0.00 55.73 55.83 1pcx s ARG 702 Cb -0.24 -2.58 0.15 0.00 0.52 0.00 0.00 34.95 32.80 1pcx s ARG 702 CO 0.01 0.21 1.23 -1.17 0.02 0.00 0.00 175.30 175.60 1pcx s LEU 703 N -2.56 -0.13 0.55 2.53 2.96 -0.95 -4.75 118.68 116.33 1pcx s LEU 703 Ca 0.52 0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 54.36 1pcx s LEU 703 Cb -0.13 1.34 -0.05 0.00 0.50 0.00 0.00 46.19 47.85 1pcx s LEU 703 CO 0.19 -0.19 0.94 0.00 -1.32 0.00 0.00 176.35 175.97 1pcx h ALA 705 N 0.19 1.53 0.00 0.00 0.00 -1.35 -2.60 119.26 117.03 1pcx h ALA 705 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1pcx h ALA 705 Cb 1.19 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1pcx h ALA 705 CO 0.62 0.41 0.00 0.27 0.00 0.00 0.00 179.25 180.55 1pcx n ASN 706 N -4.44 0.00 -0.30 0.00 6.94 -1.26 -2.48 115.26 113.71 1pcx n ASN 706 Ca 0.09 0.22 0.03 0.00 -0.02 0.00 0.00 54.58 54.91 1pcx n ASN 706 Cb 0.09 -0.38 0.04 0.00 -2.36 0.00 0.00 39.78 37.17 1pcx n ASN 706 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1pcx n LEU 707 N -1.38 1.80 0.00 -4.53 4.77 -0.99 -3.97 117.00 112.69 1pcx n LEU 707 Ca 0.07 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 1pcx n LEU 707 Cb 0.18 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1pcx n LEU 707 CO 0.16 0.39 0.43 -1.14 -1.33 0.00 0.00 177.39 175.90 1pcx n ARG 708 N 0.33 0.00 0.00 3.23 0.63 -1.04 -1.42 116.66 118.40 1pcx n ARG 708 Ca 0.05 0.30 0.02 0.00 -0.92 0.00 0.00 57.85 57.30 1pcx n ARG 708 Cb 0.21 -1.58 -0.02 0.00 0.45 0.00 0.00 32.46 31.53 1pcx n ARG 708 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1pcx n MET 709 N -1.28 4.62 0.03 -0.14 2.81 -1.26 -4.76 117.12 117.15 1pcx n MET 709 Ca 0.00 -0.12 -0.12 0.00 -1.81 0.00 0.00 57.70 55.65 1pcx n MET 709 Cb 0.08 -0.77 -0.07 0.00 -0.71 0.00 0.00 33.22 31.75 1pcx n MET 709 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 1pcx h PHE 710 N 0.15 -0.00 -0.59 2.03 3.57 -1.57 -1.48 116.94 119.05 1pcx h PHE 710 Ca 0.00 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1pcx h PHE 710 Cb 0.12 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 1pcx h PHE 710 CO 0.00 -0.00 0.33 -1.35 -2.23 0.00 0.00 178.31 175.06 1pcx h PRO 711 N 0.01 0.62 -0.76 6.41 0.11 -1.86 0.04 132.00 136.57 1pcx h PRO 711 Ca 0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1pcx h PRO 711 Cb 0.01 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 30.94 1pcx h PRO 711 CO -0.01 0.41 0.47 1.25 -0.21 0.00 0.00 178.00 179.90 1pcx h LEU 712 N 0.64 0.90 -0.05 2.35 5.85 -1.83 0.91 115.31 124.08 1pcx h LEU 712 Ca 0.26 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 1pcx h LEU 712 Cb 0.11 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1pcx h LEU 712 CO -0.15 0.68 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.39 1pcx h LEU 713 N 1.04 0.23 -0.49 2.25 3.38 -0.52 0.15 115.31 121.35 1pcx h LEU 713 Ca 0.27 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1pcx h LEU 713 Cb -0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1pcx h LEU 713 CO -0.05 0.82 0.19 0.24 0.09 0.00 0.00 178.44 179.73 1pcx h MET 714 N -0.34 0.74 -0.04 1.13 2.86 -0.82 0.81 114.93 119.26 1pcx h MET 714 Ca -0.01 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1pcx h MET 714 Cb 0.81 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 1pcx h MET 714 CO 0.04 0.67 -0.06 1.25 1.06 0.00 0.00 176.91 179.86 1pcx h HIS 715 N 0.66 -0.16 -0.67 -0.22 -0.00 -0.85 -1.50 115.15 112.41 1pcx h HIS 715 Ca 0.16 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.55 1pcx h HIS 715 Cb 0.21 0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.66 1pcx h HIS 715 CO 0.01 -0.10 0.44 0.77 -0.00 0.00 0.00 177.93 179.04 1pcx h SER 716 N -0.09 0.77 -0.68 3.26 0.02 -0.21 -2.07 113.55 114.54 1pcx h SER 716 Ca 0.04 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1pcx h SER 716 Cb 0.15 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.45 1pcx h SER 716 CO -0.10 0.56 0.39 0.25 -1.14 0.00 0.00 176.83 176.80 1pcx h LEU 717 N 0.91 0.60 -2.67 5.07 5.85 0.16 -1.48 115.31 123.75 1pcx h LEU 717 Ca 0.24 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1pcx h LEU 717 Cb -0.10 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 1pcx h LEU 717 CO -0.05 0.39 0.02 0.71 -0.34 0.00 0.00 178.44 179.17 1pcx h THR 718 N 0.73 0.30 -0.01 1.05 1.35 -0.60 0.22 112.91 115.94 1pcx h THR 718 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.16 1pcx h THR 718 Cb 0.15 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1pcx h THR 718 CO -0.17 0.00 -0.20 0.29 -0.25 0.00 0.00 175.52 175.20 1pcx n LYS 719 N -3.51 1.04 -2.11 4.72 5.02 -0.57 -3.16 118.16 119.59 1pcx n LYS 719 Ca -0.03 -0.62 -0.37 0.00 -2.02 0.00 0.00 58.31 55.27 1pcx n LYS 719 Cb 0.10 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.62 1pcx n LYS 719 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1pcx s HIS 720 N -2.38 2.69 0.64 2.13 2.46 0.06 -4.63 115.29 116.26 1pcx s HIS 720 Ca 0.27 1.49 0.28 0.00 0.47 0.00 0.00 55.06 57.57 1pcx s HIS 720 Cb 0.20 -3.50 1.47 0.00 -0.13 0.00 0.00 32.58 30.61 1pcx s HIS 720 CO 0.48 -1.92 1.84 1.98 -2.47 0.00 0.00 174.74 174.65 1pcx h MET 721 N 1.84 0.00 0.00 2.88 4.05 -1.91 0.22 114.93 122.02 1pcx h MET 721 Ca -0.50 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 58.86 1pcx h MET 721 Cb 1.26 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.06 1pcx h MET 721 CO 0.59 0.00 -0.28 0.00 0.23 0.00 0.00 176.91 177.45 1pcx h ALA 722 N 1.28 0.82 0.00 0.39 0.00 -1.88 -3.38 119.26 116.48 1pcx h ALA 722 Ca 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pcx h ALA 722 Cb 0.95 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1pcx h ALA 722 CO -0.00 0.36 0.00 1.19 0.00 0.00 0.00 179.25 180.80 1pcx n PHE 723 N -3.17 0.00 -1.12 0.00 3.01 0.50 -4.88 117.46 111.79 1pcx n PHE 723 Ca 0.03 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.12 1pcx n PHE 723 Cb 0.64 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.16 1pcx n PHE 723 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1pcx n ARG 724 N -0.32 0.06 -3.18 -1.08 1.74 0.41 -4.82 116.66 109.47 1pcx n ARG 724 Ca 0.00 0.04 -0.21 0.00 -0.77 0.00 0.00 57.85 56.91 1pcx n ARG 724 Cb 0.04 -1.34 0.01 0.00 -1.02 0.00 0.00 32.46 30.15 1pcx n ARG 724 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1pcx s SER 725 N -1.25 5.86 0.00 0.55 1.04 -1.26 -4.97 113.70 113.67 1pcx s SER 725 Ca 0.54 0.05 0.00 0.00 0.48 0.00 0.00 55.95 57.02 1pcx s SER 725 Cb -0.32 -1.35 0.00 0.00 0.10 0.00 0.00 66.02 64.45 1pcx s SER 725 CO 0.69 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1pcx n GLY 726 N -1.90 -1.83 3.74 7.32 0.00 -1.26 -4.93 105.19 106.33 1pcx n GLY 726 Ca 0.01 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 1pcx n GLY 726 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pcx s ILE 727 N 0.00 5.20 -0.20 -0.61 1.01 -1.26 -5.05 121.20 120.29 1pcx s ILE 727 Ca 0.00 0.81 -0.05 0.00 0.00 0.00 0.00 60.65 61.41 1pcx s ILE 727 Cb 0.00 -3.74 0.10 0.00 0.01 0.00 0.00 42.46 38.82 1pcx s ILE 727 CO 0.00 0.38 0.38 -0.69 0.00 0.00 0.00 174.94 175.01 1pcx s VAL 728 N 0.34 -0.59 0.30 2.92 1.01 -1.26 -5.14 120.40 117.97 1pcx s VAL 728 Ca 0.23 0.12 -0.27 0.00 0.00 0.00 0.00 61.98 62.06 1pcx s VAL 728 Cb -0.15 -0.67 -0.14 0.00 0.00 0.00 0.00 36.38 35.43 1pcx s VAL 728 CO 0.09 0.02 0.87 -2.65 0.00 0.00 0.00 175.10 173.43 1pcx n PRO 729 N 5.38 1.03 -0.18 2.72 -0.02 -1.26 -4.72 135.00 137.95 1pcx n PRO 729 Ca -0.07 0.36 -0.03 0.00 -2.02 0.00 0.00 63.50 61.75 1pcx n PRO 729 Cb 0.50 -1.67 0.04 0.00 -0.02 0.00 0.00 33.50 32.34 1pcx n PRO 729 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1pcx h SER 730 N 1.65 -0.68 -0.03 2.55 0.87 -2.01 -1.77 113.55 114.13 1pcx h SER 730 Ca -0.38 0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.37 1pcx h SER 730 Cb 1.36 0.40 -0.01 0.00 -0.44 0.00 0.00 62.40 63.72 1pcx h SER 730 CO 0.59 -0.23 -0.00 0.44 -0.53 0.00 0.00 176.83 177.10 1pcx h ASP 731 N -0.06 -0.02 -0.94 6.23 3.32 -1.98 -2.12 116.42 120.85 1pcx h ASP 731 Ca 0.26 0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.38 1pcx h ASP 731 Cb 0.46 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.97 1pcx h ASP 731 CO -0.60 -0.01 0.61 0.45 -1.72 0.00 0.00 179.24 177.98 1pcx h HIS 732 N 0.01 1.11 -0.23 4.55 3.86 -1.80 -0.42 115.15 122.22 1pcx h HIS 732 Ca 0.02 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1pcx h HIS 732 Cb 0.02 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 1pcx h HIS 732 CO -0.10 0.58 -0.00 -0.09 0.86 0.00 0.00 177.93 179.18 1pcx h ARG 733 N 1.09 0.40 -0.36 2.45 2.43 -1.10 -0.69 114.38 118.61 1pcx h ARG 733 Ca 0.40 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1pcx h ARG 733 Cb 0.17 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1pcx h ARG 733 CO -0.15 0.59 0.14 0.00 -1.51 0.00 0.00 179.97 179.04 1pcx h ALA 734 N 0.80 0.46 0.06 2.80 0.00 -1.03 -1.14 119.26 121.21 1pcx h ALA 734 Ca 0.06 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1pcx h ALA 734 Cb 0.41 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1pcx h ALA 734 CO 0.01 0.06 -0.18 1.03 0.00 0.00 0.00 179.25 180.17 1pcx h SER 735 N 0.43 -0.52 -0.83 0.00 0.87 -1.01 0.28 113.55 112.78 1pcx h SER 735 Ca 0.12 0.07 0.11 0.00 -1.23 0.00 0.00 61.79 60.86 1pcx h SER 735 Cb 0.18 0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 62.27 1pcx h SER 735 CO -0.01 -0.25 0.46 0.00 -0.53 0.00 0.00 176.83 176.49 1pcx h ALA 736 N 0.54 1.21 -0.28 6.23 0.00 -0.94 -0.51 119.26 125.50 1pcx h ALA 736 Ca 0.04 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1pcx h ALA 736 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1pcx h ALA 736 CO -0.13 0.03 -0.39 -0.07 0.00 0.00 0.00 179.25 178.69 1pcx h LEU 737 N 0.73 0.69 -0.43 0.00 3.38 -0.31 -1.84 115.31 117.54 1pcx h LEU 737 Ca 0.42 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1pcx h LEU 737 Cb 0.47 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1pcx h LEU 737 CO -0.29 1.01 0.08 -1.13 0.09 0.00 0.00 178.44 178.20 1pcx h ASN 738 N 0.54 0.67 0.29 -0.43 -1.24 0.69 -2.68 115.58 113.43 1pcx h ASN 738 Ca 0.05 -0.25 -0.01 0.00 0.71 0.00 0.00 56.30 56.79 1pcx h ASN 738 Cb 0.91 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.78 1pcx h ASN 738 CO 0.08 0.75 -0.14 -1.13 -1.29 0.00 0.00 177.43 175.70 1pcx h ASN 739 N 0.56 -0.33 -0.92 1.15 -1.24 -1.05 -3.08 115.58 110.67 1pcx h ASN 739 Ca 0.13 -0.14 0.18 0.00 0.71 0.00 0.00 56.30 57.18 1pcx h ASN 739 Cb 0.35 0.09 -0.07 0.00 0.73 0.00 0.00 38.32 39.42 1pcx h ASN 739 CO 0.01 -0.04 0.59 -0.07 -1.29 0.00 0.00 177.43 176.63 1pcx h LEU 740 N -0.64 0.55 -0.74 0.34 3.38 -1.36 -0.93 115.31 115.90 1pcx h LEU 740 Ca -0.04 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pcx h LEU 740 Cb 0.45 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1pcx h LEU 740 CO 0.07 0.24 0.00 1.05 0.09 0.00 0.00 178.44 179.88 1pcx h GLU 741 N 0.56 0.00 -0.00 1.13 4.11 -1.39 -3.34 114.58 115.65 1pcx h GLU 741 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 1pcx h GLU 741 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1pcx h GLU 741 CO -0.22 0.00 -0.12 -1.13 0.07 0.00 0.00 179.01 177.61 1pcx n SER 742 N -3.04 0.25 -4.75 3.06 3.41 -0.64 -4.58 113.62 107.33 1pcx n SER 742 Ca 0.02 -0.63 -0.37 0.00 -0.26 0.00 0.00 58.87 57.64 1pcx n SER 742 Cb 0.41 0.89 0.04 0.00 -0.26 0.00 0.00 64.21 65.29 1pcx n SER 742 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1pcx s LEU 743 N -1.93 3.72 0.33 1.04 2.96 -0.45 -0.40 118.68 123.96 1pcx s LEU 743 Ca 0.01 2.56 -0.28 0.00 -0.22 0.00 0.00 54.13 56.21 1pcx s LEU 743 Cb 0.02 -4.48 -0.09 0.00 0.50 0.00 0.00 46.19 42.14 1pcx s LEU 743 CO 0.10 -1.64 1.13 -2.84 -1.32 0.00 0.00 176.35 171.78 1pcx s PRO 744 N -3.16 4.40 0.15 0.98 0.02 -1.26 -4.33 135.00 131.79 1pcx s PRO 744 Ca 0.76 1.81 -0.14 0.00 0.02 0.00 0.00 61.00 63.45 1pcx s PRO 744 Cb -0.35 -2.96 0.11 0.00 0.02 0.00 0.00 34.50 31.33 1pcx s PRO 744 CO 0.39 -0.01 1.07 -0.11 -0.33 0.00 0.00 177.00 178.02 1pcx n LEU 745 N 0.69 -0.52 -0.20 -5.54 7.94 -1.26 0.52 117.00 118.63 1pcx n LEU 745 Ca 0.01 1.21 0.10 0.00 -1.11 0.00 0.00 56.01 56.22 1pcx n LEU 745 Cb 0.46 -0.25 0.40 0.00 0.53 0.00 0.00 43.42 44.56 1pcx n LEU 745 CO 0.52 -1.06 1.21 0.50 -1.11 0.00 0.00 177.39 177.45 1pcx h LYS 746 N 0.00 0.63 0.00 1.96 3.64 -1.99 -0.62 116.57 120.19 1pcx h LYS 746 Ca 0.21 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1pcx h LYS 746 Cb 0.38 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1pcx h LYS 746 CO -0.68 0.42 -0.83 1.88 -2.27 0.00 0.00 179.45 177.97 1pcx h TYR 747 N 0.65 0.00 -0.05 1.91 -1.99 -0.29 -3.23 116.97 113.98 1pcx h TYR 747 Ca 0.36 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.05 1pcx h TYR 747 Cb 0.51 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.24 1pcx h TYR 747 CO -0.00 0.00 -0.10 1.25 -0.00 0.00 0.00 178.16 179.30 1pcx h LEU 748 N 0.00 0.18 -1.26 3.88 5.85 0.44 -1.90 115.31 122.49 1pcx h LEU 748 Ca 0.00 -0.57 0.02 0.00 0.84 0.00 0.00 57.88 58.17 1pcx h LEU 748 Cb 0.96 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 1pcx h LEU 748 CO 0.00 0.72 0.50 0.40 -0.34 0.00 0.00 178.44 179.72 1pcx h ILE 749 N -0.35 1.17 0.00 4.05 1.08 -1.30 -1.55 117.51 120.60 1pcx h ILE 749 Ca 0.00 -0.34 -0.11 0.00 -0.39 0.00 0.00 64.86 64.02 1pcx h ILE 749 Cb 0.69 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 1pcx h ILE 749 CO 0.02 0.18 -0.53 0.50 -0.69 0.00 0.00 178.15 177.64 1pcx h LYS 750 N 1.00 0.00 0.00 2.37 3.64 -1.56 0.15 116.57 122.17 1pcx h LYS 750 Ca 0.29 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.57 1pcx h LYS 750 Cb -0.06 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1pcx h LYS 750 CO -0.07 0.53 -0.45 -0.97 -2.27 0.00 0.00 179.45 176.22 1pcx h ASN 751 N 0.00 0.00 0.13 4.20 -0.73 -0.46 -3.17 115.58 115.55 1pcx h ASN 751 Ca -0.01 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.85 1pcx h ASN 751 Cb 1.03 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.62 1pcx h ASN 751 CO 0.07 0.45 -1.61 0.40 -0.37 0.00 0.00 177.43 176.37 1pcx h ILE 752 N 0.00 0.92 -3.21 2.57 2.04 -1.05 -3.45 117.51 115.34 1pcx h ILE 752 Ca -0.00 -2.41 -0.53 0.00 1.00 0.00 0.00 64.86 62.92 1pcx h ILE 752 Cb 1.02 2.67 -0.36 0.00 -0.74 0.00 0.00 36.82 39.41 1pcx h ILE 752 CO 0.06 0.77 -0.81 -0.47 0.00 0.00 0.00 178.15 177.70 1pcx s TYR 753 N -2.51 1.51 0.45 1.37 5.04 0.50 -4.66 117.35 119.05 1pcx s TYR 753 Ca -0.20 -0.73 -0.20 0.00 -2.44 0.00 0.00 57.07 53.50 1pcx s TYR 753 Cb 0.05 -1.23 -0.10 0.00 0.35 0.00 0.00 41.96 41.03 1pcx s TYR 753 CO 0.78 -0.49 0.97 -1.25 -1.34 0.00 0.00 175.55 174.22 1pcx s PRO 754 N 1.56 4.12 -0.13 4.97 0.04 -1.20 -3.90 135.00 140.46 1pcx s PRO 754 Ca 0.02 1.12 -0.23 0.00 0.04 0.00 0.00 61.00 61.95 1pcx s PRO 754 Cb -0.13 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 1pcx s PRO 754 CO -0.07 -0.13 0.72 -0.51 0.04 0.00 0.00 177.00 177.05 1pcx s ASP 755 N -2.31 6.90 -0.08 6.66 1.01 -0.54 -4.77 116.67 123.54 1pcx s ASP 755 Ca 0.62 1.09 0.05 0.00 0.71 0.00 0.00 52.55 55.02 1pcx s ASP 755 Cb -0.10 -2.41 -0.01 0.00 1.01 0.00 0.00 42.92 41.42 1pcx s ASP 755 CO 0.17 -0.24 -0.24 -0.69 0.21 0.00 0.00 175.17 174.38 1pcx s VAL 756 N 1.47 2.04 -0.07 -1.27 1.01 -1.26 -0.96 120.40 121.36 1pcx s VAL 756 Ca 0.35 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1pcx s VAL 756 Cb -0.17 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1pcx s VAL 756 CO 0.14 0.56 -0.21 -0.31 0.00 0.00 0.00 175.10 175.28 1pcx s TYR 757 N 0.07 2.56 -0.53 5.22 1.51 0.05 -0.70 117.35 125.54 1pcx s TYR 757 Ca -0.11 -0.65 -0.19 0.00 -1.01 0.00 0.00 57.07 55.11 1pcx s TYR 757 Cb -0.16 -1.66 0.07 0.00 -0.11 0.00 0.00 41.96 40.11 1pcx s TYR 757 CO 0.06 -0.17 0.64 0.45 -1.11 0.00 0.00 175.55 175.41 1pcx s SER 758 N -0.11 6.21 -0.07 2.29 0.15 -1.26 -1.86 113.70 119.05 1pcx s SER 758 Ca -0.04 -1.11 -0.18 0.00 0.70 0.00 0.00 55.95 55.32 1pcx s SER 758 Cb -0.14 -2.29 -0.29 0.00 -1.71 0.00 0.00 66.02 61.59 1pcx s SER 758 CO 0.04 -0.95 0.71 -0.07 1.20 0.00 0.00 173.24 174.17 1pcx h LEU 759 N 9.73 0.44 -2.32 3.45 3.38 -1.17 -3.28 115.31 125.54 1pcx h LEU 759 Ca -0.28 -0.89 0.03 0.00 0.09 0.00 0.00 57.88 56.82 1pcx h LEU 759 Cb 1.09 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1pcx h LEU 759 CO 1.00 1.54 0.12 1.12 0.09 0.00 0.00 178.44 182.31 1pcx h HIS 760 N -0.30 0.00 -0.19 1.13 2.07 -1.91 -1.11 115.15 114.84 1pcx h HIS 760 Ca -0.24 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.15 1pcx h HIS 760 Cb 1.74 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 31.62 1pcx h HIS 760 CO 0.15 0.00 -0.52 -0.40 -3.07 0.00 0.00 177.93 174.09 1pcx n ASP 761 N -3.82 2.47 -4.74 3.10 3.85 -1.26 -5.00 116.55 111.15 1pcx n ASP 761 Ca -0.00 -3.87 -0.36 0.00 -0.71 0.00 0.00 54.79 49.85 1pcx n ASP 761 Cb 0.22 -0.50 0.06 0.00 -1.35 0.00 0.00 41.12 39.55 1pcx n ASP 761 CO 0.00 0.00 0.00 -0.32 -1.01 0.00 0.00 177.20 175.87 1pcx s MET 762 N -3.32 2.65 0.48 0.11 1.75 -0.42 -4.99 119.30 115.55 1pcx s MET 762 Ca 0.41 1.94 -0.20 0.00 -1.25 0.00 0.00 55.69 56.60 1pcx s MET 762 Cb 0.38 -1.87 -0.09 0.00 2.84 0.00 0.00 34.83 36.09 1pcx s MET 762 CO -0.04 -1.49 1.01 0.00 -0.65 0.00 0.00 175.02 173.85 1pcx s ALA 763 N -1.54 2.92 0.54 4.11 0.00 -1.26 -4.95 121.76 121.59 1pcx s ALA 763 Ca 0.80 0.51 0.24 0.00 0.00 0.00 0.00 51.96 53.51 1pcx s ALA 763 Cb -0.34 -3.21 1.44 0.00 0.00 0.00 0.00 23.12 21.01 1pcx s ALA 763 CO 0.38 -0.21 2.06 -0.44 0.00 0.00 0.00 175.76 177.55 1pcx h ASP 764 N 1.56 0.00 -0.01 0.00 5.19 -2.02 -1.82 116.42 119.32 1pcx h ASP 764 Ca -0.49 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 55.78 1pcx h ASP 764 Cb 1.21 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.73 1pcx h ASP 764 CO 0.60 0.00 -0.54 -0.33 -3.12 0.00 0.00 179.24 175.84 1pcx h GLU 765 N 0.00 0.39 -6.32 3.56 3.07 -1.94 -3.44 114.58 109.89 1pcx h GLU 765 Ca 0.14 -0.40 -0.66 0.00 -0.50 0.00 0.00 59.36 57.94 1pcx h GLU 765 Cb 0.62 0.11 0.06 0.00 -0.84 0.00 0.00 28.75 28.70 1pcx h GLU 765 CO -0.00 1.07 0.51 0.00 -1.40 0.00 0.00 179.01 179.19 1pcx n ALA 766 N -2.57 -0.50 0.00 3.43 0.00 -0.68 -1.17 120.51 119.02 1pcx n ALA 766 Ca -0.10 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1pcx n ALA 766 Cb 0.64 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1pcx n ALA 766 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pcx n GLY 767 N 2.65 1.01 3.32 0.00 0.00 0.34 -4.79 105.19 107.73 1pcx n GLY 767 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1pcx n GLY 767 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pcx s LEU 768 N 0.00 2.46 1.30 0.99 1.43 -0.31 -4.36 118.68 120.19 1pcx s LEU 768 Ca 0.00 -0.89 -0.20 0.00 -1.03 0.00 0.00 54.13 52.01 1pcx s LEU 768 Cb 0.00 -0.75 0.31 0.00 0.03 0.00 0.00 46.19 45.77 1pcx s LEU 768 CO 0.00 -0.08 0.69 -2.65 0.23 0.00 0.00 176.35 174.54 1pcx n PRO 769 N 0.15 -3.84 -0.09 1.29 -0.02 -1.26 -1.82 135.00 129.42 1pcx n PRO 769 Ca -0.12 -1.14 -0.12 0.00 -2.02 0.00 0.00 63.50 60.10 1pcx n PRO 769 Cb 0.58 -1.78 -0.08 0.00 -0.02 0.00 0.00 33.50 32.20 1pcx n PRO 769 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1pcx n VAL 770 N -5.29 1.01 0.90 -1.45 0.31 -1.26 -4.67 118.33 107.86 1pcx n VAL 770 Ca 0.10 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1pcx n VAL 770 Cb 0.51 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 1pcx n VAL 770 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pcx n GLY 779 N 2.61 1.59 3.71 2.92 0.00 -1.26 -5.16 105.19 109.61 1pcx n GLY 779 Ca -0.30 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1pcx n GLY 779 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pcx s THR 780 N -0.39 5.16 0.42 2.61 2.01 -1.26 -5.07 115.64 119.12 1pcx s THR 780 Ca 0.00 1.01 -0.15 0.00 0.31 0.00 0.00 61.69 62.87 1pcx s THR 780 Cb 0.00 -3.85 -0.08 0.00 0.01 0.00 0.00 72.50 68.58 1pcx s THR 780 CO 0.00 0.30 0.84 -0.63 -0.69 0.00 0.00 174.62 174.44 1pcx s ILE 781 N 0.77 4.63 -0.10 1.82 1.09 -1.26 -4.27 121.20 123.88 1pcx s ILE 781 Ca 0.27 0.99 -0.16 0.00 -1.10 0.00 0.00 60.65 60.65 1pcx s ILE 781 Cb -0.15 -3.68 -0.05 0.00 -1.06 0.00 0.00 42.46 37.52 1pcx s ILE 781 CO 0.11 -0.45 0.39 -0.69 -0.10 0.00 0.00 174.94 174.20 1pcx s VAL 782 N -2.31 5.19 0.11 2.92 1.01 -0.76 -4.94 120.40 121.63 1pcx s VAL 782 Ca 0.56 0.77 0.03 0.00 0.00 0.00 0.00 61.98 63.34 1pcx s VAL 782 Cb -0.10 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1pcx s VAL 782 CO 0.25 0.42 0.14 -0.76 0.00 0.00 0.00 175.10 175.14 1pcx s LEU 783 N 0.09 3.94 1.11 3.92 1.43 -1.26 -0.50 118.68 127.41 1pcx s LEU 783 Ca 0.22 0.01 -0.15 0.00 -1.03 0.00 0.00 54.13 53.19 1pcx s LEU 783 Cb -0.15 -2.58 0.25 0.00 0.03 0.00 0.00 46.19 43.74 1pcx s LEU 783 CO 0.09 0.13 1.07 -2.84 0.23 0.00 0.00 176.35 175.03 1pcx s PRO 784 N -2.70 -0.50 0.35 1.29 0.02 -1.26 -4.85 135.00 127.36 1pcx s PRO 784 Ca 0.31 0.38 -0.22 0.00 0.02 0.00 0.00 61.00 61.49 1pcx s PRO 784 Cb -0.12 -1.64 -0.10 0.00 0.02 0.00 0.00 34.50 32.66 1pcx s PRO 784 CO 0.24 -3.32 0.90 -1.14 -0.33 0.00 0.00 177.00 173.34 1pcx s GLN 785 N -4.99 4.34 0.50 5.54 0.74 -1.26 -5.02 119.66 119.51 1pcx s GLN 785 Ca 0.68 1.12 -0.20 0.00 0.05 0.00 0.00 55.36 57.00 1pcx s GLN 785 Cb -0.17 -2.52 -0.08 0.00 1.10 0.00 0.00 33.01 31.34 1pcx s GLN 785 CO 0.59 0.16 1.08 -2.14 -0.55 0.00 0.00 175.29 174.42 1pcx s PRO 786 N -2.59 3.67 0.20 1.67 0.02 -1.26 -4.55 135.00 132.16 1pcx s PRO 786 Ca 0.54 1.49 0.08 0.00 0.02 0.00 0.00 61.00 63.14 1pcx s PRO 786 Cb -0.14 -2.12 -0.04 0.00 0.02 0.00 0.00 34.50 32.22 1pcx s PRO 786 CO 0.18 -0.56 -0.04 0.96 -0.33 0.00 0.00 177.00 177.21 1pcx s ILE 787 N -1.85 3.43 0.61 2.83 -4.36 0.13 -4.97 121.20 117.02 1pcx s ILE 787 Ca 0.68 -1.64 -0.19 0.00 -0.26 0.00 0.00 60.65 59.25 1pcx s ILE 787 Cb -0.20 -2.74 -0.04 0.00 1.25 0.00 0.00 42.46 40.73 1pcx s ILE 787 CO 0.24 -0.17 1.12 0.59 0.24 0.00 0.00 174.94 176.96 1pcx n ASN 788 N -0.22 1.42 -3.66 4.36 4.13 -1.26 -4.17 115.26 115.85 1pcx n ASN 788 Ca -0.09 0.84 -0.42 0.00 1.68 0.00 0.00 54.58 56.59 1pcx n ASN 788 Cb 0.56 -1.46 -0.00 0.00 -1.54 0.00 0.00 39.78 37.33 1pcx n ASN 788 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pcx n ALA 789 N -1.68 5.88 -3.02 5.41 0.00 -1.26 -4.87 120.51 120.97 1pcx n ALA 789 Ca 0.14 -3.83 -0.11 0.00 0.00 0.00 0.00 53.44 49.63 1pcx n ALA 789 Cb 0.47 -3.50 -0.12 0.00 0.00 0.00 0.00 19.45 16.30 1pcx n ALA 789 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1pcx s THR 790 N 2.95 0.04 -2.00 0.00 -1.32 -1.26 -1.93 115.64 112.13 1pcx s THR 790 Ca 0.51 -0.36 0.27 0.00 -1.21 0.00 0.00 61.69 60.89 1pcx s THR 790 Cb 0.15 -0.26 0.76 0.00 -1.51 0.00 0.00 72.50 71.63 1pcx s THR 790 CO -0.08 -0.20 1.95 -1.54 -2.21 0.00 0.00 174.62 172.54 1pcx n SER 791 N 2.30 0.00 0.27 8.08 3.41 -1.26 -3.06 113.62 123.36 1pcx n SER 791 Ca -0.17 -0.85 0.16 0.00 -0.26 0.00 0.00 58.87 57.75 1pcx n SER 791 Cb 0.57 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 65.19 1pcx n SER 791 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1pcx h SER 792 N 0.00 0.00 0.19 4.04 0.02 -1.95 -2.61 113.55 113.24 1pcx h SER 792 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pcx h SER 792 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1pcx h SER 792 CO 0.00 0.05 -0.81 0.18 -1.14 0.00 0.00 176.83 175.11 1pcx n LEU 793 N -3.18 0.81 -4.50 5.07 4.77 -1.17 -4.73 117.00 114.06 1pcx n LEU 793 Ca 0.00 -0.31 -0.38 0.00 -0.03 0.00 0.00 56.01 55.30 1pcx n LEU 793 Cb 0.31 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1pcx n LEU 793 CO 0.28 0.20 1.85 0.49 -1.33 0.00 0.00 177.39 178.88 1pcx n PHE 794 N -1.50 3.80 -1.46 -1.77 3.01 -0.99 -4.96 117.46 113.59 1pcx n PHE 794 Ca 0.05 -2.30 -0.37 0.00 1.01 0.00 0.00 57.45 55.83 1pcx n PHE 794 Cb 0.33 -2.60 0.06 0.00 -0.01 0.00 0.00 39.48 37.26 1pcx n PHE 794 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1pcx n GLU 795 N 8.18 0.57 0.00 -1.08 -0.58 -1.26 -4.82 120.64 121.65 1pcx n GLU 795 Ca 0.48 0.23 0.09 0.00 -0.42 0.00 0.00 57.16 57.54 1pcx n GLU 795 Cb 0.46 -1.93 0.52 0.00 -0.57 0.00 0.00 31.44 29.92 1pcx n GLU 795 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pcx n ARG 796 N -0.72 0.90 -0.01 3.49 5.12 -1.26 -2.84 116.66 121.34 1pcx n ARG 796 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1pcx n ARG 796 Cb 0.48 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.48 1pcx n ARG 796 CO 0.00 0.00 0.00 2.48 -1.93 0.00 0.00 177.63 178.18 1pcx n TYR 797 N -0.81 0.00 -3.03 -1.55 0.18 -1.26 0.15 117.16 110.85 1pcx n TYR 797 Ca 0.13 -0.39 -0.19 0.00 1.88 0.00 0.00 57.90 59.33 1pcx n TYR 797 Cb 0.06 -0.04 0.07 0.00 -0.38 0.00 0.00 39.34 39.05 1pcx n TYR 797 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1pcx n GLY 798 N -0.40 1.93 3.03 -7.48 0.00 -1.13 -4.58 105.19 96.55 1pcx n GLY 798 Ca 0.00 -2.22 -0.27 0.00 0.00 0.00 0.00 46.02 43.54 1pcx n GLY 798 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pcx s LEU 799 N 0.00 1.62 0.07 0.99 2.96 -1.26 -0.92 118.68 122.14 1pcx s LEU 799 Ca 0.60 -0.36 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 1pcx s LEU 799 Cb -0.05 -0.95 -0.03 0.00 0.50 0.00 0.00 46.19 45.67 1pcx s LEU 799 CO 0.38 0.01 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.97 1pcx s TYR 800 N 0.93 1.16 -0.07 5.38 1.51 0.16 -0.51 117.35 125.90 1pcx s TYR 800 Ca -0.09 -0.46 0.01 0.00 -1.01 0.00 0.00 57.07 55.52 1pcx s TYR 800 Cb -0.15 -0.65 0.02 0.00 -0.11 0.00 0.00 41.96 41.06 1pcx s TYR 800 CO 0.00 0.04 -0.09 -1.17 -1.11 0.00 0.00 175.55 173.23 1pcx s LEU 801 N -1.73 1.39 -0.12 -1.29 2.96 -0.77 -0.18 118.68 118.94 1pcx s LEU 801 Ca -0.03 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.63 1pcx s LEU 801 Cb -0.10 -0.73 -0.02 0.00 0.50 0.00 0.00 46.19 45.84 1pcx s LEU 801 CO 0.02 -0.04 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.27 1pcx s ILE 802 N 1.09 3.32 -0.22 6.68 1.01 0.58 -0.77 121.20 132.89 1pcx s ILE 802 Ca -0.07 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1pcx s ILE 802 Cb -0.14 -2.39 0.05 0.00 0.01 0.00 0.00 42.46 39.98 1pcx s ILE 802 CO -0.01 0.53 -0.10 -0.62 0.00 0.00 0.00 174.94 174.74 1pcx s ASP 803 N 0.07 3.72 -0.09 3.58 2.15 -0.13 -0.46 116.67 125.51 1pcx s ASP 803 Ca -0.04 -1.05 0.13 0.00 0.43 0.00 0.00 52.55 52.03 1pcx s ASP 803 Cb -0.14 -1.33 0.41 0.00 -0.30 0.00 0.00 42.92 41.56 1pcx s ASP 803 CO 0.04 -0.16 1.33 -0.46 -0.17 0.00 0.00 175.17 175.75 1pcx n ASN 804 N 4.61 3.36 0.00 -0.34 6.94 -1.14 -1.47 115.26 127.23 1pcx n ASN 804 Ca -0.15 -2.52 0.00 0.00 -0.02 0.00 0.00 54.58 51.89 1pcx n ASN 804 Cb 0.45 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.49 1pcx n ASN 804 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pcx n GLY 805 N -0.06 2.95 0.08 4.83 0.00 -1.26 -4.05 105.19 107.69 1pcx n GLY 805 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1pcx n GLY 805 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pcx n ASN 806 N 0.00 2.90 -3.35 1.61 3.02 -1.26 -4.92 115.26 113.25 1pcx n ASN 806 Ca 0.00 -0.07 -0.17 0.00 -0.03 0.00 0.00 54.58 54.32 1pcx n ASN 806 Cb 0.00 -0.22 -0.06 0.00 -0.61 0.00 0.00 39.78 38.89 1pcx n ASN 806 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1pcx s GLU 807 N -2.27 1.80 -0.04 3.52 8.01 -1.26 -4.27 118.70 124.19 1pcx s GLU 807 Ca -0.18 -1.87 0.04 0.00 0.01 0.00 0.00 54.97 52.97 1pcx s GLU 807 Cb 0.05 0.38 -0.00 0.00 -4.31 0.00 0.00 34.13 30.25 1pcx s GLU 807 CO 0.31 -0.70 -0.14 -0.51 0.01 0.00 0.00 175.26 174.22 1pcx s LEU 808 N -3.29 1.87 -0.16 1.80 1.43 -0.07 -2.88 118.68 117.36 1pcx s LEU 808 Ca 0.36 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1pcx s LEU 808 Cb 0.01 -0.83 0.01 0.00 0.03 0.00 0.00 46.19 45.41 1pcx s LEU 808 CO 0.23 0.12 -0.18 -0.36 0.23 0.00 0.00 176.35 176.39 1pcx s PHE 809 N 0.09 2.76 -0.41 0.29 0.40 0.39 -0.89 117.98 120.62 1pcx s PHE 809 Ca -0.04 -1.35 -0.12 0.00 -0.60 0.00 0.00 56.93 54.83 1pcx s PHE 809 Cb -0.10 -1.89 0.05 0.00 0.51 0.00 0.00 43.02 41.58 1pcx s PHE 809 CO 0.02 -0.64 0.26 -1.17 0.70 0.00 0.00 175.22 174.39 1pcx s LEU 810 N 1.04 5.03 -0.23 -0.37 2.96 0.50 -0.31 118.68 127.30 1pcx s LEU 810 Ca -0.01 -1.16 -0.07 0.00 -0.22 0.00 0.00 54.13 52.67 1pcx s LEU 810 Cb -0.14 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1pcx s LEU 810 CO -0.06 -0.48 0.05 0.86 -1.32 0.00 0.00 176.35 175.41 1pcx s TRP 811 N 1.56 3.09 -0.22 5.38 -0.00 0.75 -0.59 118.94 128.91 1pcx s TRP 811 Ca 0.03 -0.38 -0.01 0.00 -0.00 0.00 0.00 56.10 55.73 1pcx s TRP 811 Cb -0.21 -2.19 0.02 0.00 -0.00 0.00 0.00 33.47 31.09 1pcx s TRP 811 CO 0.06 -0.28 -0.11 1.41 -0.00 0.00 0.00 176.95 178.03 1pcx s MET 812 N 1.35 2.98 0.25 5.86 -2.45 -0.79 -0.67 119.30 125.84 1pcx s MET 812 Ca 0.05 -0.86 -0.29 0.00 -1.25 0.00 0.00 55.69 53.33 1pcx s MET 812 Cb -0.15 -2.85 -0.15 0.00 1.25 0.00 0.00 34.83 32.94 1pcx s MET 812 CO 0.03 -0.30 0.98 0.41 1.05 0.00 0.00 175.02 177.19 1pcx n GLY 813 N 4.67 -0.38 0.31 2.11 0.00 -0.10 -1.25 105.19 110.56 1pcx n GLY 813 Ca -0.18 0.37 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1pcx n GLY 813 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pcx h GLY 814 N 2.17 0.00 -3.83 -0.02 0.00 -1.66 -2.34 103.07 97.38 1pcx h GLY 814 Ca -0.39 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.38 1pcx h GLY 814 CO 0.62 0.00 0.73 1.22 0.00 0.00 0.00 176.54 179.11 1pcx n ASP 815 N -4.36 7.01 -4.72 0.19 8.00 0.12 -4.64 116.55 118.15 1pcx n ASP 815 Ca 0.02 -3.56 -0.42 0.00 0.71 0.00 0.00 54.79 51.55 1pcx n ASP 815 Cb 0.29 -0.98 -0.03 0.00 -0.02 0.00 0.00 41.12 40.38 1pcx n ASP 815 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pcx s ALA 816 N -3.19 3.42 0.22 2.24 0.00 -0.88 -4.36 121.76 119.21 1pcx s ALA 816 Ca 0.54 0.91 -0.31 0.00 0.00 0.00 0.00 51.96 53.10 1pcx s ALA 816 Cb 0.43 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 20.01 1pcx s ALA 816 CO 0.00 -0.41 1.57 0.08 0.00 0.00 0.00 175.76 177.01 1pcx s VAL 817 N 0.54 2.39 0.57 0.00 1.01 -1.26 -4.77 120.40 118.87 1pcx s VAL 817 Ca 0.56 0.30 0.41 0.00 0.00 0.00 0.00 61.98 63.25 1pcx s VAL 817 Cb -0.31 -3.19 0.60 0.00 0.00 0.00 0.00 36.38 33.47 1pcx s VAL 817 CO 0.33 0.04 1.62 -0.65 0.00 0.00 0.00 175.10 176.43 1pcx h PRO 818 N 5.95 0.00 -0.07 2.72 0.11 -1.93 0.14 132.00 138.91 1pcx h PRO 818 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1pcx h PRO 818 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pcx h PRO 818 CO 0.86 0.00 0.01 0.00 -0.21 0.00 0.00 178.00 178.66 1pcx h ALA 819 N 1.08 0.09 -0.02 -0.75 0.00 -1.90 -0.26 119.26 117.49 1pcx h ALA 819 Ca 0.70 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.45 1pcx h ALA 819 Cb 2.99 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 20.75 1pcx h ALA 819 CO -0.01 -0.25 0.00 1.25 0.00 0.00 0.00 179.25 180.25 1pcx h LEU 820 N -0.14 0.03 -1.81 0.00 5.85 -1.11 -1.42 115.31 116.71 1pcx h LEU 820 Ca 0.02 -0.25 0.22 0.00 0.84 0.00 0.00 57.88 58.71 1pcx h LEU 820 Cb 0.31 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1pcx h LEU 820 CO 0.00 0.27 0.58 0.58 -0.34 0.00 0.00 178.44 179.54 1pcx h VAL 821 N -0.22 0.63 0.12 1.05 2.07 -1.32 -2.14 116.25 116.45 1pcx h VAL 821 Ca 0.01 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1pcx h VAL 821 Cb 0.26 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1pcx h VAL 821 CO 0.00 0.03 -0.06 0.15 0.02 0.00 0.00 177.57 177.71 1pcx h PHE 822 N 0.16 -0.15 0.00 1.57 3.57 -0.54 -2.65 116.94 118.89 1pcx h PHE 822 Ca 0.41 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.91 1pcx h PHE 822 Cb 1.38 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.17 1pcx h PHE 822 CO -0.00 0.31 0.36 -0.44 -2.23 0.00 0.00 178.31 176.31 1pcx h ASP 823 N -0.90 0.00 0.00 0.41 3.32 -0.60 0.40 116.42 119.05 1pcx h ASP 823 Ca -0.02 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.75 1pcx h ASP 823 Cb 0.53 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 1pcx h ASP 823 CO 0.03 0.00 -2.08 0.52 -1.72 0.00 0.00 179.24 175.99 1pcx n VAL 824 N -2.69 1.09 0.11 -1.35 0.31 -1.06 -3.03 118.33 111.71 1pcx n VAL 824 Ca -0.02 -0.41 0.01 0.00 -0.01 0.00 0.00 64.34 63.92 1pcx n VAL 824 Cb 0.40 -1.19 -0.01 0.00 -0.91 0.00 0.00 33.84 32.12 1pcx n VAL 824 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1pcx n PHE 825 N -3.09 0.00 0.00 3.52 3.01 -1.00 -4.59 117.46 115.31 1pcx n PHE 825 Ca -0.34 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.12 1pcx n PHE 825 Cb 0.85 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.32 1pcx n PHE 825 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pcx n GLY 826 N 0.90 3.15 3.97 1.37 0.00 0.11 -4.94 105.19 109.76 1pcx n GLY 826 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 1pcx n GLY 826 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pcx s THR 827 N -2.95 2.98 -0.03 2.61 2.01 -1.26 -4.88 115.64 114.12 1pcx s THR 827 Ca 0.00 -1.09 0.16 0.00 0.31 0.00 0.00 61.69 61.07 1pcx s THR 827 Cb 0.00 -3.02 -0.25 0.00 0.01 0.00 0.00 72.50 69.24 1pcx s THR 827 CO 0.00 -0.01 0.33 0.00 -0.69 0.00 0.00 174.62 174.25 1pcx n GLN 828 N -1.76 0.59 -2.47 4.92 6.02 -1.26 -2.19 117.38 121.23 1pcx n GLN 828 Ca 0.06 -0.14 -0.43 0.00 -0.01 0.00 0.00 57.00 56.49 1pcx n GLN 828 Cb 0.60 -1.39 -0.02 0.00 1.02 0.00 0.00 30.24 30.44 1pcx n GLN 828 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1pcx s ASP 829 N -3.98 6.41 0.54 1.08 -1.08 -1.26 -4.56 116.67 113.83 1pcx s ASP 829 Ca -0.06 0.52 0.33 0.00 -0.52 0.00 0.00 52.55 52.82 1pcx s ASP 829 Cb 0.10 -2.55 1.38 0.00 -1.46 0.00 0.00 42.92 40.39 1pcx s ASP 829 CO 0.68 -1.43 1.99 -0.29 0.52 0.00 0.00 175.17 176.64 1pcx h ILE 830 N 6.34 0.08 -0.15 4.11 2.10 -1.92 -1.99 117.51 126.07 1pcx h ILE 830 Ca -0.26 -0.55 0.00 0.00 1.08 0.00 0.00 64.86 65.13 1pcx h ILE 830 Cb 1.08 1.51 0.00 0.00 -1.09 0.00 0.00 36.82 38.32 1pcx h ILE 830 CO 1.13 0.03 0.00 0.49 -1.08 0.00 0.00 178.15 178.72 1pcx n PHE 831 N -3.14 0.20 0.82 2.19 3.01 -1.26 -3.29 117.46 115.99 1pcx n PHE 831 Ca 0.00 -0.10 0.08 0.00 1.01 0.00 0.00 57.45 58.45 1pcx n PHE 831 Cb 0.31 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.68 1pcx n PHE 831 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1pcx n ASP 832 N 0.07 0.84 -4.60 4.37 -0.08 -0.75 -5.03 116.55 111.38 1pcx n ASP 832 Ca 0.14 -0.92 -0.38 0.00 -1.51 0.00 0.00 54.79 52.11 1pcx n ASP 832 Cb 0.24 0.99 0.04 0.00 2.34 0.00 0.00 41.12 44.74 1pcx n ASP 832 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1pcx n ILE 833 N -1.38 3.34 -2.01 5.18 5.41 -1.21 -4.94 119.36 123.76 1pcx n ILE 833 Ca 0.03 -0.50 -0.42 0.00 1.00 0.00 0.00 62.75 62.87 1pcx n ILE 833 Cb 0.27 -1.10 -0.03 0.00 -0.71 0.00 0.00 39.64 38.08 1pcx n ILE 833 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1pcx s PRO 834 N -2.57 4.26 0.00 0.38 0.02 -1.26 -5.01 135.00 130.82 1pcx s PRO 834 Ca 0.73 2.29 0.07 0.00 0.02 0.00 0.00 61.00 64.12 1pcx s PRO 834 Cb -0.44 -3.14 -0.02 0.00 0.02 0.00 0.00 34.50 30.92 1pcx s PRO 834 CO 0.49 -0.47 -0.23 0.42 -0.33 0.00 0.00 177.00 176.88 1pcx s ILE 835 N 0.44 2.36 0.00 2.83 -1.09 -1.26 -4.76 121.20 119.72 1pcx s ILE 835 Ca 0.63 -1.12 0.00 0.00 -2.23 0.00 0.00 60.65 57.93 1pcx s ILE 835 Cb -0.42 -1.89 0.00 0.00 -1.58 0.00 0.00 42.46 38.57 1pcx s ILE 835 CO 0.38 0.49 0.00 0.61 -1.23 0.00 0.00 174.94 175.20 1pcx n GLY 836 N 2.12 -0.15 3.55 6.18 0.00 -0.73 -4.75 105.19 111.41 1pcx n GLY 836 Ca -0.16 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 1pcx n GLY 836 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pcx s LYS 837 N 0.00 3.37 0.05 1.61 2.20 -1.26 -0.27 119.74 125.43 1pcx s LYS 837 Ca 0.00 -0.66 -0.24 0.00 -0.36 0.00 0.00 55.97 54.71 1pcx s LYS 837 Cb 0.00 -4.70 0.06 0.00 -1.51 0.00 0.00 37.83 31.67 1pcx s LYS 837 CO 0.00 -2.16 0.56 -0.65 -0.36 0.00 0.00 175.35 172.73 1pcx s GLN 838 N 5.33 1.07 0.56 4.03 -0.21 -0.90 -4.89 119.66 124.65 1pcx s GLN 838 Ca 0.39 -0.19 -0.07 0.00 0.02 0.00 0.00 55.36 55.52 1pcx s GLN 838 Cb -0.05 0.49 -0.02 0.00 1.00 0.00 0.00 33.01 34.44 1pcx s GLN 838 CO 0.04 -0.39 0.89 -1.21 -2.12 0.00 0.00 175.29 172.50 1pcx s GLU 839 N -2.41 3.26 -0.18 2.91 0.41 -1.26 -4.62 118.70 116.80 1pcx s GLU 839 Ca -0.05 0.23 -0.25 0.00 -0.41 0.00 0.00 54.97 54.48 1pcx s GLU 839 Cb -0.01 -2.26 -0.01 0.00 -1.78 0.00 0.00 34.13 30.07 1pcx s GLU 839 CO -0.01 -0.52 0.83 0.42 -0.49 0.00 0.00 175.26 175.49 1pcx s ILE 840 N -2.96 4.87 0.70 -1.63 1.01 -1.26 -5.03 121.20 116.90 1pcx s ILE 840 Ca 0.52 1.62 -0.16 0.00 0.00 0.00 0.00 60.65 62.63 1pcx s ILE 840 Cb -0.11 -4.13 0.02 0.00 0.01 0.00 0.00 42.46 38.25 1pcx s ILE 840 CO 0.47 0.01 1.19 -2.84 0.00 0.00 0.00 174.94 173.77 1pcx s PRO 841 N 2.27 2.38 -0.42 2.79 0.02 -1.26 -4.96 135.00 135.82 1pcx s PRO 841 Ca 0.38 1.70 -0.25 0.00 0.02 0.00 0.00 61.00 62.85 1pcx s PRO 841 Cb -0.16 -1.87 0.02 0.00 0.02 0.00 0.00 34.50 32.51 1pcx s PRO 841 CO 0.11 -1.64 0.88 0.08 -0.33 0.00 0.00 177.00 176.11 1pcx s VAL 842 N -1.99 4.57 -0.55 3.83 1.01 -1.26 -4.89 120.40 121.12 1pcx s VAL 842 Ca 0.73 0.84 -0.16 0.00 0.00 0.00 0.00 61.98 63.39 1pcx s VAL 842 Cb -0.28 -4.35 0.13 0.00 0.00 0.00 0.00 36.38 31.88 1pcx s VAL 842 CO 0.43 -0.67 0.53 -0.69 0.00 0.00 0.00 175.10 174.70 1pcx s VAL 843 N 3.51 5.15 0.39 2.92 1.01 -1.26 -5.05 120.40 127.07 1pcx s VAL 843 Ca 0.35 -1.43 -0.28 0.00 0.00 0.00 0.00 61.98 60.63 1pcx s VAL 843 Cb -0.11 -4.36 -0.10 0.00 0.00 0.00 0.00 36.38 31.80 1pcx s VAL 843 CO 0.22 -0.91 1.47 -1.61 0.00 0.00 0.00 175.10 174.27 1pcx s GLU 844 N 1.75 4.04 -0.81 2.72 2.02 -1.26 -3.18 118.70 123.97 1pcx s GLU 844 Ca 0.04 2.54 -0.02 0.00 0.02 0.00 0.00 54.97 57.56 1pcx s GLU 844 Cb -0.29 -2.91 -0.02 0.00 0.10 0.00 0.00 34.13 31.01 1pcx s GLU 844 CO 0.03 -0.58 0.69 0.09 0.02 0.00 0.00 175.26 175.52 1pcx n ASN 845 N 0.34 -3.34 -3.09 -0.19 3.02 -1.26 -5.00 115.26 105.74 1pcx n ASN 845 Ca 0.02 -0.47 -0.06 0.00 -0.03 0.00 0.00 54.58 54.04 1pcx n ASN 845 Cb 0.40 -3.83 -0.02 0.00 -0.61 0.00 0.00 39.78 35.71 1pcx n ASN 845 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1pcx s SER 846 N -3.70 -0.84 0.48 6.41 0.15 -1.19 -5.01 113.70 110.00 1pcx s SER 846 Ca 0.13 -1.43 0.23 0.00 0.70 0.00 0.00 55.95 55.58 1pcx s SER 846 Cb -0.02 1.53 1.25 0.00 -1.71 0.00 0.00 66.02 67.08 1pcx s SER 846 CO 0.52 -0.14 1.91 1.05 1.20 0.00 0.00 173.24 177.78 1pcx h GLU 847 N 6.19 0.20 -0.28 5.44 -0.00 -1.94 -0.56 114.58 123.63 1pcx h GLU 847 Ca 0.07 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.36 59.38 1pcx h GLU 847 Cb 1.11 -0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 29.81 1pcx h GLU 847 CO 0.10 0.13 0.04 0.35 -0.00 0.00 0.00 179.01 179.64 1pcx h PHE 848 N 0.21 0.50 -0.32 2.06 3.57 -1.95 -0.15 116.94 120.86 1pcx h PHE 848 Ca 0.39 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.85 1pcx h PHE 848 Cb 1.20 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 1pcx h PHE 848 CO -0.00 0.57 0.21 -0.97 -2.23 0.00 0.00 178.31 175.90 1pcx h ASN 849 N 0.28 0.23 0.25 0.41 -0.73 -1.02 0.03 115.58 115.02 1pcx h ASN 849 Ca 0.08 -0.00 -0.22 0.00 1.87 0.00 0.00 56.30 58.03 1pcx h ASN 849 Cb 0.35 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.89 1pcx h ASN 849 CO 0.01 0.16 -0.91 -0.61 -0.37 0.00 0.00 177.43 175.71 1pcx h GLN 850 N 0.27 0.47 -0.29 6.67 5.75 -0.98 -2.34 115.11 124.66 1pcx h GLN 850 Ca 0.13 -0.48 -0.14 0.00 -0.15 0.00 0.00 58.65 58.02 1pcx h GLN 850 Cb 0.21 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 1pcx h GLN 850 CO -0.03 1.12 -0.38 0.00 -2.65 0.00 0.00 178.83 176.89 1pcx h ARG 851 N 0.28 0.68 0.44 1.69 3.08 0.24 0.31 114.38 121.09 1pcx h ARG 851 Ca -0.08 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.61 1pcx h ARG 851 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.59 1pcx h ARG 851 CO 0.16 0.94 -0.21 0.28 -1.07 0.00 0.00 179.97 180.08 1pcx h VAL 852 N 0.56 0.00 -1.09 2.04 2.07 -1.06 -0.89 116.25 117.88 1pcx h VAL 852 Ca 0.05 -0.14 0.31 0.00 0.82 0.00 0.00 66.70 67.74 1pcx h VAL 852 Cb 0.91 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 1pcx h VAL 852 CO 0.08 0.00 0.77 0.03 0.02 0.00 0.00 177.57 178.47 1pcx h ARG 853 N -0.72 0.09 0.83 1.57 3.08 -1.43 -0.02 114.38 117.77 1pcx h ARG 853 Ca -0.06 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1pcx h ARG 853 Cb 0.45 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.49 1pcx h ARG 853 CO 0.10 0.06 -0.40 -0.91 -1.07 0.00 0.00 179.97 177.75 1pcx h ASN 854 N 0.09 -0.94 -0.80 7.04 4.21 -0.03 -2.66 115.58 122.49 1pcx h ASN 854 Ca 0.54 0.02 0.10 0.00 1.21 0.00 0.00 56.30 58.17 1pcx h ASN 854 Cb 1.97 0.24 -0.07 0.00 -1.12 0.00 0.00 38.32 39.34 1pcx h ASN 854 CO -0.07 -0.62 0.44 0.40 -1.29 0.00 0.00 177.43 176.29 1pcx h ILE 855 N -1.21 0.88 -0.09 2.81 2.04 0.40 -1.84 117.51 120.49 1pcx h ILE 855 Ca -0.11 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.52 1pcx h ILE 855 Cb 0.86 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1pcx h ILE 855 CO 0.19 0.13 -0.10 0.40 0.00 0.00 0.00 178.15 178.77 1pcx h ILE 856 N 0.74 0.72 0.00 -0.67 2.04 -1.26 -0.98 117.51 118.10 1pcx h ILE 856 Ca 0.39 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.20 1pcx h ILE 856 Cb 0.39 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1pcx h ILE 856 CO -0.26 0.00 -0.23 0.78 0.00 0.00 0.00 178.15 178.44 1pcx h ASN 857 N -0.13 0.00 0.31 1.72 2.35 -1.09 -1.84 115.58 116.90 1pcx h ASN 857 Ca 0.07 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.64 1pcx h ASN 857 Cb 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1pcx h ASN 857 CO -0.17 0.23 -0.71 -0.61 -1.65 0.00 0.00 177.43 174.52 1pcx h GLN 858 N 0.00 0.35 0.00 0.81 5.75 -0.79 -2.42 115.11 118.81 1pcx h GLN 858 Ca -0.00 -0.29 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 1pcx h GLN 858 Cb 0.53 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.14 1pcx h GLN 858 CO 0.03 0.93 0.00 -0.07 -2.65 0.00 0.00 178.83 177.07 1pcx h LEU 859 N 0.24 0.00 0.00 -2.39 3.38 -0.42 -2.91 115.31 113.21 1pcx h LEU 859 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1pcx h LEU 859 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1pcx h LEU 859 CO 0.12 0.00 -0.93 0.54 0.09 0.00 0.00 178.44 178.26 1pcx n ARG 860 N -2.60 0.35 -3.18 1.13 1.74 -0.80 -4.85 116.66 108.46 1pcx n ARG 860 Ca 0.03 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.73 1pcx n ARG 860 Cb 0.36 -1.65 -0.07 0.00 -1.02 0.00 0.00 32.46 30.07 1pcx n ARG 860 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1pcx s ASN 861 N -4.26 6.34 -0.00 0.55 2.20 -0.94 -4.92 114.94 113.90 1pcx s ASN 861 Ca 0.03 -0.12 0.00 0.00 -0.94 0.00 0.00 52.86 51.84 1pcx s ASN 861 Cb 0.13 -2.29 0.00 0.00 -2.00 0.00 0.00 41.25 37.09 1pcx s ASN 861 CO 0.78 -0.60 -0.01 -1.00 -2.94 0.00 0.00 177.10 173.33 1pcx s HIS 862 N 2.58 0.11 -0.90 1.54 3.76 -1.26 -4.99 115.29 116.12 1pcx s HIS 862 Ca 0.21 -0.01 0.15 0.00 -0.15 0.00 0.00 55.06 55.26 1pcx s HIS 862 Cb -0.15 -0.08 0.49 0.00 1.11 0.00 0.00 32.58 33.94 1pcx s HIS 862 CO 0.15 -0.01 1.41 -0.40 -0.85 0.00 0.00 174.74 175.04 1pcx n ASP 863 N 3.14 3.68 0.00 1.40 5.68 -1.26 -4.42 116.55 124.77 1pcx n ASP 863 Ca -0.13 -2.34 0.00 0.00 -0.50 0.00 0.00 54.79 51.82 1pcx n ASP 863 Cb 0.59 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1pcx n ASP 863 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1pcx n ASP 864 N 0.53 0.84 -3.77 -1.12 5.75 -1.26 -0.77 116.55 116.76 1pcx n ASP 864 Ca 0.18 -1.16 -0.12 0.00 -0.01 0.00 0.00 54.79 53.68 1pcx n ASP 864 Cb 0.66 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.67 1pcx n ASP 864 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1pcx s VAL 865 N -0.16 0.07 -0.81 2.12 -7.23 -1.26 -4.46 120.40 108.67 1pcx s VAL 865 Ca 0.00 -0.58 0.25 0.00 -1.81 0.00 0.00 61.98 59.85 1pcx s VAL 865 Cb 0.00 -0.74 0.10 0.00 0.56 0.00 0.00 36.38 36.29 1pcx s VAL 865 CO 0.00 -0.32 1.50 2.30 -0.31 0.00 0.00 175.10 178.27 1pcx n ILE 866 N 0.99 0.23 -1.58 -0.62 -5.35 -1.26 -4.78 119.36 107.00 1pcx n ILE 866 Ca -0.20 -0.16 -0.57 0.00 -0.27 0.00 0.00 62.75 61.55 1pcx n ILE 866 Cb 0.57 -0.13 -0.07 0.00 -1.74 0.00 0.00 39.64 38.27 1pcx n ILE 866 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1pcx n THR 867 N -1.87 0.03 -4.05 7.28 -1.04 -1.26 -4.22 114.28 109.15 1pcx n THR 867 Ca 0.05 -0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.74 1pcx n THR 867 Cb 0.39 -0.46 -0.15 0.00 -1.82 0.00 0.00 70.33 68.29 1pcx n THR 867 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1pcx s TYR 868 N 0.78 3.43 -0.44 -1.42 5.04 -1.26 -4.94 117.35 118.53 1pcx s TYR 868 Ca 0.91 -2.55 -0.27 0.00 -2.44 0.00 0.00 57.07 52.72 1pcx s TYR 868 Cb -1.16 -2.25 0.03 0.00 0.35 0.00 0.00 41.96 38.93 1pcx s TYR 868 CO 0.56 -0.90 1.02 -0.65 -1.34 0.00 0.00 175.55 174.24 1pcx s GLN 869 N 1.04 3.69 0.70 4.97 -0.21 -1.26 -4.87 119.66 123.70 1pcx s GLN 869 Ca -0.03 0.44 -0.15 0.00 0.02 0.00 0.00 55.36 55.64 1pcx s GLN 869 Cb -0.20 -3.89 0.02 0.00 1.00 0.00 0.00 33.01 29.95 1pcx s GLN 869 CO -0.06 -1.22 1.18 -1.12 -2.12 0.00 0.00 175.29 171.94 1pcx s SER 870 N 2.24 4.56 -0.15 5.90 0.01 -1.26 -4.60 113.70 120.40 1pcx s SER 870 Ca 0.42 2.25 -0.05 0.00 1.31 0.00 0.00 55.95 59.88 1pcx s SER 870 Cb -0.09 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 1pcx s SER 870 CO 0.27 -2.01 0.03 -0.22 0.41 0.00 0.00 173.24 171.71 1pcx s LEU 871 N -4.96 3.65 -0.19 2.44 2.96 -1.26 -0.90 118.68 120.42 1pcx s LEU 871 Ca 0.72 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.69 1pcx s LEU 871 Cb -0.27 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.55 1pcx s LEU 871 CO 0.43 0.22 -0.17 -0.31 -1.32 0.00 0.00 176.35 175.20 1pcx s TYR 872 N 0.08 2.85 -0.31 5.38 1.51 -0.07 -2.13 117.35 124.67 1pcx s TYR 872 Ca 0.03 -1.59 -0.13 0.00 -1.01 0.00 0.00 57.07 54.37 1pcx s TYR 872 Cb -0.13 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 1pcx s TYR 872 CO 0.01 -0.78 0.25 0.42 -1.11 0.00 0.00 175.55 174.35 1pcx s ILE 873 N 1.30 5.27 -0.06 2.71 1.01 0.62 -0.37 121.20 131.68 1pcx s ILE 873 Ca 0.04 0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.80 1pcx s ILE 873 Cb -0.14 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 1pcx s ILE 873 CO -0.11 0.10 -0.23 -0.69 0.00 0.00 0.00 174.94 174.02 1pcx s VAL 874 N 1.81 2.23 -0.24 2.92 1.01 0.25 -1.78 120.40 126.59 1pcx s VAL 874 Ca 0.08 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 1pcx s VAL 874 Cb -0.17 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1pcx s VAL 874 CO 0.11 0.57 0.27 -0.60 0.00 0.00 0.00 175.10 175.45 1pcx s ARG 875 N -0.19 4.08 1.01 2.72 3.52 -1.26 -1.88 118.95 126.95 1pcx s ARG 875 Ca -0.03 -0.09 -0.17 0.00 -0.13 0.00 0.00 55.73 55.32 1pcx s ARG 875 Cb -0.14 -3.57 0.26 0.00 -1.56 0.00 0.00 34.95 29.94 1pcx s ARG 875 CO 0.03 -0.05 0.75 0.41 -0.81 0.00 0.00 175.30 175.62 1pcx n GLY 876 N 4.35 -3.26 3.76 8.12 0.00 -0.38 -4.90 105.19 112.87 1pcx n GLY 876 Ca -0.12 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.16 1pcx n GLY 876 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pcx s ALA 877 N -2.58 3.51 0.48 4.61 0.00 -1.26 -4.14 121.76 122.37 1pcx s ALA 877 Ca 0.52 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.82 1pcx s ALA 877 Cb -0.07 -1.68 0.03 0.00 0.00 0.00 0.00 23.12 21.41 1pcx s ALA 877 CO 0.42 0.59 0.59 0.45 0.00 0.00 0.00 175.76 177.81 1pcx s SER 878 N -0.90 5.28 0.20 0.00 0.15 -1.26 -4.14 113.70 113.03 1pcx s SER 878 Ca 0.14 -0.69 0.05 0.00 0.70 0.00 0.00 55.95 56.15 1pcx s SER 878 Cb -0.12 -0.24 0.13 0.00 -1.71 0.00 0.00 66.02 64.08 1pcx s SER 878 CO 0.03 -0.96 1.47 0.25 1.20 0.00 0.00 173.24 175.23 1pcx h LEU 879 N 0.57 0.17 -5.99 3.45 5.85 -1.99 -3.34 115.31 114.03 1pcx h LEU 879 Ca -0.37 -0.12 -0.62 0.00 0.84 0.00 0.00 57.88 57.61 1pcx h LEU 879 Cb 1.28 -0.05 -0.40 0.00 0.37 0.00 0.00 40.66 41.86 1pcx h LEU 879 CO 0.47 0.86 -0.44 -1.20 -0.34 0.00 0.00 178.44 177.79 1pcx n SER 880 N -3.72 4.33 -4.62 1.25 7.64 -1.26 -5.06 113.62 112.18 1pcx n SER 880 Ca -0.02 -3.53 -0.41 0.00 1.01 0.00 0.00 58.87 55.92 1pcx n SER 880 Cb 0.72 -0.70 -0.06 0.00 -1.01 0.00 0.00 64.21 63.16 1pcx n SER 880 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1pcx s GLU 881 N -2.87 4.06 0.19 1.43 2.12 -1.26 -5.05 118.70 117.32 1pcx s GLU 881 Ca 0.42 0.51 -0.03 0.00 0.36 0.00 0.00 54.97 56.22 1pcx s GLU 881 Cb 0.18 -3.67 0.05 0.00 0.26 0.00 0.00 34.13 30.95 1pcx s GLU 881 CO -0.04 -0.46 0.13 -2.30 -0.54 0.00 0.00 175.26 172.04 1pcx n PRO 882 N 5.78 -2.05 -3.54 4.30 -0.02 -1.26 -5.03 135.00 133.17 1pcx n PRO 882 Ca -0.00 -0.21 -0.39 0.00 -2.02 0.00 0.00 63.50 60.88 1pcx n PRO 882 Cb 0.49 -0.25 -0.11 0.00 -0.02 0.00 0.00 33.50 33.62 1pcx n PRO 882 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pcx s VAL 883 N -1.19 5.28 -0.42 -1.45 1.01 -1.26 -4.94 120.40 117.43 1pcx s VAL 883 Ca 0.09 0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.22 1pcx s VAL 883 Cb -0.01 -3.63 0.35 0.00 0.00 0.00 0.00 36.38 33.09 1pcx s VAL 883 CO 0.08 0.13 1.08 0.59 0.00 0.00 0.00 175.10 176.97 1pcx n ASN 884 N 5.12 -1.38 -0.29 3.32 3.02 -1.26 -5.04 115.26 118.75 1pcx n ASN 884 Ca -0.13 -3.26 0.14 0.00 -0.03 0.00 0.00 54.58 51.30 1pcx n ASN 884 Cb 0.51 1.09 0.27 0.00 -0.61 0.00 0.00 39.78 41.04 1pcx n ASN 884 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pcx n HIS 885 N 0.13 0.58 0.18 3.10 1.44 -1.26 -0.70 115.22 118.69 1pcx n HIS 885 Ca 0.08 1.02 -0.14 0.00 -2.01 0.00 0.00 57.72 56.67 1pcx n HIS 885 Cb 0.73 -1.16 -0.07 0.00 0.12 0.00 0.00 29.99 29.61 1pcx n HIS 885 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1pcx h ALA 886 N 1.69 -0.44 -0.15 1.59 0.00 -2.01 -2.94 119.26 117.01 1pcx h ALA 886 Ca 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1pcx h ALA 886 Cb 1.14 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1pcx h ALA 886 CO -0.78 -0.76 0.10 0.77 0.00 0.00 0.00 179.25 178.58 1pcx h SER 887 N -0.45 0.17 -0.87 0.00 0.02 -1.56 -2.76 113.55 108.10 1pcx h SER 887 Ca -0.03 -0.00 0.32 0.00 -0.84 0.00 0.00 61.79 61.24 1pcx h SER 887 Cb 0.37 -0.04 -0.16 0.00 0.14 0.00 0.00 62.40 62.71 1pcx h SER 887 CO 0.03 0.12 0.30 0.00 -1.14 0.00 0.00 176.83 176.14 1pcx n ALA 888 N -2.13 0.73 0.12 3.77 0.00 0.12 0.23 120.51 123.34 1pcx n ALA 888 Ca -0.04 0.90 -0.11 0.00 0.00 0.00 0.00 53.44 54.20 1pcx n ALA 888 Cb 0.03 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 1pcx n ALA 888 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pcx h ARG 889 N 0.00 -0.36 -0.89 0.00 3.08 -1.41 -0.38 114.38 114.43 1pcx h ARG 889 Ca 0.66 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.84 1pcx h ARG 889 Cb 1.63 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 31.70 1pcx h ARG 889 CO -0.73 -0.03 0.57 1.49 -1.07 0.00 0.00 179.97 180.20 1pcx h GLU 890 N -0.94 0.81 0.20 0.04 4.81 0.61 -2.83 114.58 117.28 1pcx h GLU 890 Ca -0.04 -0.05 -0.32 0.00 -0.13 0.00 0.00 59.36 58.83 1pcx h GLU 890 Cb 0.50 -0.18 0.02 0.00 0.63 0.00 0.00 28.75 29.71 1pcx h GLU 890 CO 0.06 0.54 -1.43 0.28 -0.73 0.00 0.00 179.01 177.73 1pcx h VAL 891 N 0.84 1.32 -0.38 0.32 2.07 0.28 -3.23 116.25 117.46 1pcx h VAL 891 Ca 0.42 -2.82 0.09 0.00 0.82 0.00 0.00 66.70 65.22 1pcx h VAL 891 Cb 0.47 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 33.20 1pcx h VAL 891 CO -0.18 0.84 0.27 0.00 0.02 0.00 0.00 177.57 178.52 1pcx h ALA 892 N 0.32 2.23 -0.30 1.67 0.00 -0.82 0.35 119.26 122.70 1pcx h ALA 892 Ca -0.22 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1pcx h ALA 892 Cb 2.09 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.87 1pcx h ALA 892 CO 0.24 -0.33 -0.18 1.15 0.00 0.00 0.00 179.25 180.13 1pcx h THR 893 N 0.10 1.25 0.18 0.00 2.02 -1.53 -1.91 112.91 113.02 1pcx h THR 893 Ca 0.18 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 1pcx h THR 893 Cb 0.58 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1pcx h THR 893 CO -0.02 0.38 -0.08 -0.07 0.37 0.00 0.00 175.52 176.10 1pcx h LEU 894 N 0.49 -0.20 -1.76 2.58 3.38 -1.04 -0.70 115.31 118.07 1pcx h LEU 894 Ca 0.08 -0.31 0.17 0.00 0.09 0.00 0.00 57.88 57.91 1pcx h LEU 894 Cb 0.60 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1pcx h LEU 894 CO 0.04 0.35 0.49 0.03 0.09 0.00 0.00 178.44 179.45 1pcx h ARG 895 N -0.91 0.22 0.19 1.13 3.08 -1.37 0.40 114.38 117.11 1pcx h ARG 895 Ca -0.02 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1pcx h ARG 895 Cb 0.50 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1pcx h ARG 895 CO 0.04 0.15 -0.09 1.25 -1.07 0.00 0.00 179.97 180.25 1pcx h LEU 896 N 0.23 -0.21 -0.15 3.04 5.85 -1.33 -1.04 115.31 121.70 1pcx h LEU 896 Ca 0.35 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1pcx h LEU 896 Cb 1.03 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1pcx h LEU 896 CO -0.07 0.31 -0.02 -0.25 -0.34 0.00 0.00 178.44 178.06 1pcx h TRP 897 N -0.84 -0.04 -0.55 1.25 7.01 -0.01 -0.02 115.95 122.75 1pcx h TRP 897 Ca -0.03 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.93 1pcx h TRP 897 Cb 0.52 0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.60 1pcx h TRP 897 CO 0.07 -0.04 0.11 0.00 -2.79 0.00 0.00 178.44 175.80 1pcx h ALA 898 N 1.14 1.17 -0.47 2.65 0.00 -0.37 -2.64 119.26 120.74 1pcx h ALA 898 Ca 0.07 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1pcx h ALA 898 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1pcx h ALA 898 CO -0.14 0.56 0.04 1.03 0.00 0.00 0.00 179.25 180.75 1pcx h SER 899 N 0.82 0.71 0.24 0.00 0.87 -0.47 -1.89 113.55 113.83 1pcx h SER 899 Ca 0.18 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1pcx h SER 899 Cb 0.33 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1pcx h SER 899 CO 0.00 0.75 0.00 -1.54 -0.53 0.00 0.00 176.83 175.52 1pcx n SER 900 N -4.25 0.00 0.01 6.23 3.41 -0.09 -2.61 113.62 116.34 1pcx n SER 900 Ca 0.03 -0.13 -0.07 0.00 -0.26 0.00 0.00 58.87 58.43 1pcx n SER 900 Cb 0.27 -0.21 -0.13 0.00 -0.26 0.00 0.00 64.21 63.88 1pcx n SER 900 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1pcx h THR 901 N 0.00 1.17 0.00 6.66 1.35 -1.31 -3.39 112.91 117.38 1pcx h THR 901 Ca 0.00 -2.95 -0.64 0.00 -0.55 0.00 0.00 66.41 62.27 1pcx h THR 901 Cb 0.12 2.57 0.02 0.00 -1.73 0.00 0.00 68.15 69.12 1pcx h THR 901 CO 0.00 0.66 2.72 0.18 -0.25 0.00 0.00 175.52 178.83 1pcx n LEU 902 N -3.16 5.41 0.00 3.87 4.77 -1.07 -4.76 117.00 122.05 1pcx n LEU 902 Ca -0.10 -3.40 0.00 0.00 -0.03 0.00 0.00 56.01 52.49 1pcx n LEU 902 Cb 1.00 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1pcx n LEU 902 CO 0.46 0.39 0.11 1.33 -1.33 0.00 0.00 177.39 178.35 1pcx n VAL 903 N 5.34 0.00 0.35 4.08 0.24 -1.23 -1.27 118.33 125.84 1pcx n VAL 903 Ca 0.52 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.93 1pcx n VAL 903 Cb 0.36 -0.88 -0.02 0.00 -1.47 0.00 0.00 33.84 31.83 1pcx n VAL 903 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1pcx n GLU 904 N -0.66 0.43 -2.38 7.34 1.02 -0.81 -4.71 120.64 120.88 1pcx n GLU 904 Ca 0.00 -0.01 -0.28 0.00 -0.02 0.00 0.00 57.16 56.85 1pcx n GLU 904 Cb 0.00 -1.64 0.01 0.00 -0.02 0.00 0.00 31.44 29.79 1pcx n GLU 904 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pcx s ASP 905 N -4.38 6.17 0.17 1.62 1.01 -0.39 -1.22 116.67 119.64 1pcx s ASP 905 Ca 0.00 1.05 -0.30 0.00 0.71 0.00 0.00 52.55 54.01 1pcx s ASP 905 Cb 0.13 -2.25 -0.08 0.00 1.01 0.00 0.00 42.92 41.73 1pcx s ASP 905 CO 0.82 -0.72 1.31 -0.75 0.21 0.00 0.00 175.17 176.04 1pcx s LYS 906 N -4.90 4.38 -0.17 8.23 2.20 -1.26 -4.38 119.74 123.84 1pcx s LYS 906 Ca 0.50 2.03 -0.04 0.00 -0.36 0.00 0.00 55.97 58.10 1pcx s LYS 906 Cb -0.11 -3.22 0.06 0.00 -1.51 0.00 0.00 37.83 33.05 1pcx s LYS 906 CO 0.48 -0.29 0.08 0.42 -0.36 0.00 0.00 175.35 175.68 1pcx s ILE 907 N 0.42 0.05 0.00 5.43 1.01 -0.72 -4.93 121.20 122.45 1pcx s ILE 907 Ca 0.58 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1pcx s ILE 907 Cb -0.36 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.45 1pcx s ILE 907 CO 0.35 -0.25 0.00 0.18 0.00 0.00 0.00 174.94 175.22 1pcx n LEU 908 N 5.23 0.00 -0.79 2.97 4.77 -1.26 -1.69 117.00 126.23 1pcx n LEU 908 Ca -0.07 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.97 1pcx n LEU 908 Cb 0.49 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.75 1pcx n LEU 908 CO 0.11 0.00 0.64 0.59 -1.33 0.00 0.00 177.39 177.39 1pcx n ASN 909 N 7.37 2.27 -4.66 -1.43 3.02 -1.26 -4.85 115.26 115.72 1pcx n ASN 909 Ca 0.00 -2.06 -0.35 0.00 -0.03 0.00 0.00 54.58 52.14 1pcx n ASN 909 Cb 0.00 -0.30 -0.10 0.00 -0.61 0.00 0.00 39.78 38.77 1pcx n ASN 909 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1pcx s ASN 910 N -0.92 5.35 0.73 6.41 0.01 -0.68 -5.11 114.94 120.73 1pcx s ASN 910 Ca 0.26 0.12 -0.11 0.00 -0.71 0.00 0.00 52.86 52.42 1pcx s ASN 910 Cb 0.15 -1.67 0.03 0.00 0.41 0.00 0.00 41.25 40.16 1pcx s ASN 910 CO 0.16 0.31 1.08 -1.83 -1.51 0.00 0.00 177.10 175.32 1pcx s GLU 911 N -0.45 2.69 1.06 -0.60 1.03 -1.26 -1.76 118.70 119.41 1pcx s GLU 911 Ca 0.09 0.64 -0.14 0.00 0.03 0.00 0.00 54.97 55.58 1pcx s GLU 911 Cb -0.12 -1.99 0.22 0.00 -0.80 0.00 0.00 34.13 31.44 1pcx s GLU 911 CO 0.02 -1.20 1.10 -1.54 -1.33 0.00 0.00 175.26 172.32 1pcx s SER 912 N -4.08 2.09 0.20 0.83 1.04 -1.26 -4.54 113.70 107.99 1pcx s SER 912 Ca 0.59 0.98 -0.01 0.00 0.48 0.00 0.00 55.95 57.98 1pcx s SER 912 Cb -0.13 -1.51 0.13 0.00 0.10 0.00 0.00 66.02 64.62 1pcx s SER 912 CO 0.53 -3.44 1.50 0.22 0.98 0.00 0.00 173.24 173.04 1pcx h TYR 913 N -2.10 0.60 -0.09 5.02 3.20 -1.44 0.02 116.97 122.18 1pcx h TYR 913 Ca -0.52 -0.22 0.01 0.00 3.14 0.00 0.00 58.73 61.14 1pcx h TYR 913 Cb 1.32 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 1pcx h TYR 913 CO -0.44 0.94 0.02 0.00 -1.64 0.00 0.00 178.16 177.04 1pcx h ARG 914 N 0.36 0.06 -0.41 1.82 3.08 -1.93 -1.39 114.38 115.98 1pcx h ARG 914 Ca -0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1pcx h ARG 914 Cb 1.13 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 1pcx h ARG 914 CO 0.11 0.04 0.16 0.93 -1.07 0.00 0.00 179.97 180.14 1pcx h GLU 915 N 0.06 0.61 -0.62 0.04 5.08 -1.89 -2.47 114.58 115.40 1pcx h GLU 915 Ca 0.04 -0.11 0.13 0.00 -1.00 0.00 0.00 59.36 58.42 1pcx h GLU 915 Cb 0.03 -0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.06 1pcx h GLU 915 CO -0.05 0.57 -0.09 0.35 -1.00 0.00 0.00 179.01 178.79 1pcx h PHE 916 N 0.51 -0.21 -0.65 4.33 3.57 -0.62 0.28 116.94 124.15 1pcx h PHE 916 Ca 0.14 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.71 1pcx h PHE 916 Cb 0.19 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 1pcx h PHE 916 CO -0.00 -0.23 0.41 -0.07 -2.23 0.00 0.00 178.31 176.19 1pcx h LEU 917 N 0.04 0.69 -0.27 0.59 3.38 -0.99 -1.83 115.31 116.91 1pcx h LEU 917 Ca 0.31 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1pcx h LEU 917 Cb 0.49 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1pcx h LEU 917 CO -0.60 0.48 0.14 1.56 0.09 0.00 0.00 178.44 180.11 1pcx h GLN 918 N 0.82 0.39 -0.89 1.13 1.08 -0.24 -2.00 115.11 115.40 1pcx h GLN 918 Ca 0.25 -0.05 0.09 0.00 -1.45 0.00 0.00 58.65 57.49 1pcx h GLN 918 Cb -0.02 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.28 1pcx h GLN 918 CO -0.09 0.37 0.57 0.82 -0.95 0.00 0.00 178.83 179.55 1pcx h ILE 919 N 0.31 1.00 -0.36 2.54 2.04 -0.28 -1.72 117.51 121.04 1pcx h ILE 919 Ca 0.09 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 1pcx h ILE 919 Cb 0.10 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1pcx h ILE 919 CO -0.01 0.17 -0.09 0.24 0.00 0.00 0.00 178.15 178.46 1pcx h MET 920 N 0.92 0.69 -0.81 2.37 2.86 -0.91 -2.24 114.93 117.82 1pcx h MET 920 Ca 0.40 -0.27 0.09 0.00 -2.06 0.00 0.00 59.70 57.87 1pcx h MET 920 Cb 0.35 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.90 1pcx h MET 920 CO -0.17 0.85 0.46 -0.22 1.06 0.00 0.00 176.91 178.90 1pcx h LYS 921 N 0.48 0.77 -0.48 1.72 3.64 -0.61 -1.38 116.57 120.70 1pcx h LYS 921 Ca 0.09 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1pcx h LYS 921 Cb 0.60 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1pcx h LYS 921 CO 0.04 0.51 0.16 0.00 -2.27 0.00 0.00 179.45 177.89 1pcx h ALA 922 N 1.44 1.38 0.05 5.00 0.00 -1.07 -3.19 119.26 122.87 1pcx h ALA 922 Ca 0.38 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.91 1pcx h ALA 922 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1pcx h ALA 922 CO -0.24 0.46 -1.03 0.00 0.00 0.00 0.00 179.25 178.45 1pcx h ARG 923 N 0.70 0.21 -0.82 0.00 3.08 -0.67 -3.25 114.38 113.63 1pcx h ARG 923 Ca 0.16 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1pcx h ARG 923 Cb 0.19 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1pcx h ARG 923 CO -0.01 1.07 0.03 0.44 -1.07 0.00 0.00 179.97 180.42 1pcx n ILE 924 N -3.58 1.34 -3.85 2.04 -5.35 -0.89 -4.90 119.36 104.17 1pcx n ILE 924 Ca -0.05 -0.67 -0.24 0.00 -0.27 0.00 0.00 62.75 61.52 1pcx n ILE 924 Cb 0.91 -0.43 -0.03 0.00 -1.74 0.00 0.00 39.64 38.35 1pcx n ILE 924 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1pcx s SER 925 N -0.33 4.70 0.00 7.28 0.01 -1.23 -4.98 113.70 119.15 1pcx s SER 925 Ca 0.25 -1.07 0.03 0.00 1.31 0.00 0.00 55.95 56.47 1pcx s SER 925 Cb 0.19 -0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.41 1pcx s SER 925 CO 0.07 -0.86 0.61 0.29 0.41 0.00 0.00 173.24 173.76