#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dji s LYS 159 N 0.00 0.69 -0.06 3.52 1.02 -1.26 -4.39 119.74 119.26 1dji s LYS 159 Ca 0.00 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 55.65 1dji s LYS 159 Cb 0.00 0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 37.58 1dji s LYS 159 CO 0.00 -0.20 -0.12 1.41 -0.92 0.00 0.00 175.35 175.52 1dji s MET 160 N -1.85 2.61 0.33 1.68 -2.45 -0.01 -4.80 119.30 114.81 1dji s MET 160 Ca -0.10 -0.65 0.08 0.00 -1.25 0.00 0.00 55.69 53.77 1dji s MET 160 Cb -0.04 -2.45 -0.04 0.00 1.25 0.00 0.00 34.83 33.55 1dji s MET 160 CO 0.01 0.62 0.12 0.54 1.05 0.00 0.00 175.02 177.36 1dji s ASN 161 N -0.72 4.65 0.32 1.11 2.20 -1.26 0.17 114.94 121.41 1dji s ASN 161 Ca 0.11 -0.76 0.09 0.00 -0.94 0.00 0.00 52.86 51.36 1dji s ASN 161 Cb -0.11 -0.74 0.94 0.00 -2.00 0.00 0.00 41.25 39.34 1dji s ASN 161 CO 0.01 -0.26 1.65 0.15 -2.94 0.00 0.00 177.10 175.71 1dji h PHE 162 N 1.60 0.65 0.01 1.54 3.57 -1.98 0.20 116.94 122.53 1dji h PHE 162 Ca -0.44 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1dji h PHE 162 Cb 1.25 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 1dji h PHE 162 CO 0.63 -0.22 -0.02 0.87 -2.23 0.00 0.00 178.31 177.35 1dji h LYS 163 N 0.24 -0.03 -0.07 1.11 1.57 -1.96 0.34 116.57 117.78 1dji h LYS 163 Ca 0.66 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.47 1dji h LYS 163 Cb 1.47 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.78 1dji h LYS 163 CO -0.65 -0.02 0.29 0.93 -0.57 0.00 0.00 179.45 179.43 1dji h GLU 164 N -0.03 0.00 0.11 3.15 5.08 -1.76 -0.43 114.58 120.70 1dji h GLU 164 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1dji h GLU 164 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1dji h GLU 164 CO -0.01 0.00 -0.05 1.25 -1.00 0.00 0.00 179.01 179.20 1dji h LEU 165 N 0.00 -0.13 -1.84 1.33 5.85 0.21 0.69 115.31 121.41 1dji h LEU 165 Ca 0.03 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.95 1dji h LEU 165 Cb 0.61 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1dji h LEU 165 CO -0.00 -0.05 0.51 0.11 -0.34 0.00 0.00 178.44 178.67 1dji h LYS 166 N -0.24 0.14 0.55 1.25 1.79 -0.09 0.64 116.57 120.62 1dji h LYS 166 Ca -0.02 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 1dji h LYS 166 Cb 0.12 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 30.74 1dji h LYS 166 CO 0.03 0.09 -0.27 0.22 -1.08 0.00 0.00 179.45 178.44 1dji h ASP 167 N 0.14 -0.63 -0.95 0.86 3.58 -1.02 -3.07 116.42 115.33 1dji h ASP 167 Ca 0.36 0.02 0.27 0.00 0.42 0.00 0.00 57.03 58.10 1dji h ASP 167 Cb 1.21 0.16 -0.17 0.00 1.72 0.00 0.00 39.33 42.25 1dji h ASP 167 CO -0.05 -0.45 0.12 0.15 -2.88 0.00 0.00 179.24 176.13 1dji h PHE 168 N -0.75 0.12 0.00 0.28 3.04 0.60 -1.79 116.94 118.44 1dji h PHE 168 Ca -0.08 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1dji h PHE 168 Cb 0.57 0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.18 1dji h PHE 168 CO 0.10 -0.38 0.00 1.28 -2.02 0.00 0.00 178.31 177.29 1dji n LEU 169 N -5.40 0.00 -0.48 0.59 4.77 0.26 -2.60 117.00 114.14 1dji n LEU 169 Ca 0.24 0.69 0.40 0.00 -0.03 0.00 0.00 56.01 57.31 1dji n LEU 169 Cb 0.78 -0.19 0.68 0.00 -2.33 0.00 0.00 43.42 42.36 1dji n LEU 169 CO -0.03 -0.19 1.28 0.11 -1.33 0.00 0.00 177.39 177.23 1dji h LYS 170 N 0.00 0.06 -0.67 3.23 1.57 -1.24 0.28 116.57 119.81 1dji h LYS 170 Ca 0.00 -0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.90 1dji h LYS 170 Cb 0.00 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.20 1dji h LYS 170 CO 0.00 0.04 0.19 1.49 -0.57 0.00 0.00 179.45 180.60 1dji h GLU 171 N 0.06 0.31 -0.23 3.15 4.81 -1.20 0.19 114.58 121.67 1dji h GLU 171 Ca 0.83 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 60.04 1dji h GLU 171 Cb 2.76 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 32.07 1dji h GLU 171 CO -0.34 0.21 0.00 1.28 -0.73 0.00 0.00 179.01 179.43 1dji n LEU 172 N -5.09 0.99 0.00 1.64 4.77 1.00 -4.84 117.00 115.46 1dji n LEU 172 Ca 0.11 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1dji n LEU 172 Cb 0.37 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1dji n LEU 172 CO 0.17 0.23 0.00 -3.20 -1.33 0.00 0.00 177.39 173.26 1dji n ASN 173 N -0.01 -3.25 -3.91 -1.43 5.15 0.68 -4.83 115.26 107.67 1dji n ASN 173 Ca 0.06 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.66 1dji n ASN 173 Cb 0.17 -2.94 -0.08 0.00 -0.53 0.00 0.00 39.78 36.40 1dji n ASN 173 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1dji n ILE 174 N -2.02 1.27 -0.19 -1.44 5.41 -1.22 -4.74 119.36 116.43 1dji n ILE 174 Ca 0.00 -1.19 0.00 0.00 1.00 0.00 0.00 62.75 62.56 1dji n ILE 174 Cb 0.27 -2.19 0.00 0.00 -0.71 0.00 0.00 39.64 37.01 1dji n ILE 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1dji n GLN 175 N 7.62 0.00 -0.07 0.38 6.02 -1.26 -4.45 117.38 125.62 1dji n GLN 175 Ca 0.47 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.44 1dji n GLN 175 Cb 0.43 -0.19 -0.01 0.00 1.02 0.00 0.00 30.24 31.50 1dji n GLN 175 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1dji n VAL 176 N 0.70 0.00 -0.93 5.09 0.31 -1.26 -4.84 118.33 117.40 1dji n VAL 176 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1dji n VAL 176 Cb 0.06 -0.02 0.14 0.00 -0.91 0.00 0.00 33.84 33.10 1dji n VAL 176 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1dji s ASP 177 N 0.40 3.54 0.00 4.52 1.11 -1.26 -5.01 116.67 119.96 1dji s ASP 177 Ca 0.06 2.02 0.00 0.00 0.18 0.00 0.00 52.55 54.81 1dji s ASP 177 Cb -0.07 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.39 1dji s ASP 177 CO 0.03 -2.68 0.00 -0.90 1.18 0.00 0.00 175.17 172.79 1dji n ASP 178 N -3.95 0.00 -0.39 0.27 5.68 -1.26 -4.12 116.55 112.78 1dji n ASP 178 Ca 0.10 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.53 1dji n ASP 178 Cb 0.53 0.00 0.38 0.00 -1.14 0.00 0.00 41.12 40.89 1dji n ASP 178 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dji n GLY 179 N 0.67 -0.25 0.14 6.12 0.00 -1.26 -3.75 105.19 106.86 1dji n GLY 179 Ca 0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 1dji n GLY 179 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1dji h TYR 180 N 1.92 -0.24 -1.01 1.61 3.20 -1.99 -1.78 116.97 118.69 1dji h TYR 180 Ca 0.00 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.09 1dji h TYR 180 Cb 0.55 0.08 -0.11 0.00 1.54 0.00 0.00 36.73 38.79 1dji h TYR 180 CO 0.00 0.03 0.61 0.00 -1.64 0.00 0.00 178.16 177.16 1dji h ALA 181 N 0.27 1.83 0.13 1.82 0.00 -1.71 -0.96 119.26 120.64 1dji h ALA 181 Ca -0.03 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1dji h ALA 181 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1dji h ALA 181 CO 0.04 -0.26 -0.06 -0.09 0.00 0.00 0.00 179.25 178.88 1dji h ARG 182 N 0.61 -0.17 -0.47 0.00 2.43 -1.69 -0.70 114.38 114.39 1dji h ARG 182 Ca 0.61 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.89 1dji h ARG 182 Cb 1.16 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.65 1dji h ARG 182 CO -0.41 0.24 -0.20 -0.22 -1.51 0.00 0.00 179.97 177.87 1dji h LYS 183 N -0.64 -0.10 -0.63 0.20 3.64 -0.42 0.63 116.57 119.26 1dji h LYS 183 Ca -0.02 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1dji h LYS 183 Cb 0.49 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1dji h LYS 183 CO 0.03 -0.06 0.29 0.82 -2.27 0.00 0.00 179.45 178.26 1dji h ILE 184 N -0.10 1.22 -0.19 2.00 1.08 -1.22 -0.26 117.51 120.05 1dji h ILE 184 Ca 0.22 -0.64 0.02 0.00 -0.39 0.00 0.00 64.86 64.08 1dji h ILE 184 Cb 0.45 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.65 1dji h ILE 184 CO -0.54 0.26 0.05 0.15 -0.69 0.00 0.00 178.15 177.38 1dji h PHE 185 N 0.87 0.09 -0.10 1.37 3.57 0.44 -2.37 116.94 120.81 1dji h PHE 185 Ca 0.21 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.77 1dji h PHE 185 Cb 0.14 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 1dji h PHE 185 CO 0.00 0.04 -0.27 0.00 -2.23 0.00 0.00 178.31 175.85 1dji h ARG 186 N 0.13 -0.34 -0.03 1.11 -0.00 0.87 -0.01 114.38 116.11 1dji h ARG 186 Ca 0.08 0.02 0.01 0.00 -0.50 0.00 0.00 59.98 59.60 1dji h ARG 186 Cb 0.06 0.08 -0.00 0.00 0.00 0.00 0.00 29.97 30.11 1dji h ARG 186 CO -0.10 -0.23 0.31 0.93 0.00 0.00 0.00 179.97 180.88 1dji h GLU 187 N -0.36 0.00 0.00 0.04 5.08 -0.65 -1.24 114.58 117.46 1dji h GLU 187 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1dji h GLU 187 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1dji h GLU 187 CO -0.30 0.00 -1.14 0.00 -1.00 0.00 0.00 179.01 176.57 1dji s ASP 189 N -3.52 6.32 0.07 0.00 2.15 -0.47 -4.76 116.67 116.45 1dji s ASP 189 Ca 0.04 -1.38 -0.27 0.00 0.43 0.00 0.00 52.55 51.37 1dji s ASP 189 Cb 0.15 -2.40 -0.17 0.00 -0.30 0.00 0.00 42.92 40.21 1dji s ASP 189 CO 0.84 -1.28 1.61 0.45 -0.17 0.00 0.00 175.17 176.63 1dji h HIS 190 N 9.29 -0.39 -0.74 -5.34 3.86 -1.87 -3.14 115.15 116.81 1dji h HIS 190 Ca -0.15 -0.01 0.21 0.00 -1.16 0.00 0.00 60.37 59.26 1dji h HIS 190 Cb 1.06 0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.63 1dji h HIS 190 CO 1.01 -0.20 0.54 0.66 0.86 0.00 0.00 177.93 180.80 1dji h SER 191 N -0.48 0.00 -0.17 2.45 4.64 -1.91 -3.46 113.55 114.63 1dji h SER 191 Ca -0.04 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 1dji h SER 191 Cb 0.36 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 1dji h SER 191 CO 0.07 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 175.97 1dji n GLN 192 N -4.27 -0.54 0.00 4.77 1.13 -1.19 -4.88 117.38 112.40 1dji n GLN 192 Ca 0.15 0.46 0.13 0.00 -1.94 0.00 0.00 57.00 55.80 1dji n GLN 192 Cb 0.82 -4.10 0.42 0.00 0.11 0.00 0.00 30.24 27.49 1dji n GLN 192 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1dji n THR 193 N -2.75 0.00 -2.77 5.09 -2.24 -1.26 -4.93 114.28 105.42 1dji n THR 193 Ca -0.03 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 1dji n THR 193 Cb 0.19 0.31 0.02 0.00 -2.10 0.00 0.00 70.33 68.75 1dji n THR 193 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1dji n ASP 194 N -0.71 -3.67 -4.06 3.42 9.92 -1.26 -5.04 116.55 115.15 1dji n ASP 194 Ca 0.13 -0.17 -0.15 0.00 -0.53 0.00 0.00 54.79 54.06 1dji n ASP 194 Cb 0.34 -2.40 -0.12 0.00 -0.64 0.00 0.00 41.12 38.29 1dji n ASP 194 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1dji s SER 195 N -3.01 1.01 -0.34 -2.24 0.01 -1.26 -4.44 113.70 103.43 1dji s SER 195 Ca 0.19 -0.44 -0.05 0.00 1.31 0.00 0.00 55.95 56.96 1dji s SER 195 Cb -0.08 -0.02 0.05 0.00 0.21 0.00 0.00 66.02 66.18 1dji s SER 195 CO 0.23 -0.10 0.09 -0.76 0.41 0.00 0.00 173.24 173.12 1dji s LEU 196 N -1.21 4.35 0.95 2.44 1.43 0.46 -4.76 118.68 122.34 1dji s LEU 196 Ca -0.05 -1.32 -0.12 0.00 -1.03 0.00 0.00 54.13 51.62 1dji s LEU 196 Cb -0.08 -1.82 0.16 0.00 0.03 0.00 0.00 46.19 44.48 1dji s LEU 196 CO 0.01 -0.35 1.10 -1.61 0.23 0.00 0.00 176.35 175.73 1dji s GLU 197 N 1.32 0.83 0.00 1.70 2.02 -1.26 -0.83 118.70 122.48 1dji s GLU 197 Ca -0.01 0.61 0.00 0.00 0.02 0.00 0.00 54.97 55.59 1dji s GLU 197 Cb -0.20 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.25 1dji s GLU 197 CO 0.01 -2.48 0.89 -3.47 0.02 0.00 0.00 175.26 170.22 1dji n ASP 198 N -4.02 0.00 -0.03 -0.19 -0.08 -1.26 -1.87 116.55 109.10 1dji n ASP 198 Ca 0.06 0.89 -0.12 0.00 -1.51 0.00 0.00 54.79 54.11 1dji n ASP 198 Cb 0.57 -0.41 -0.06 0.00 2.34 0.00 0.00 41.12 43.56 1dji n ASP 198 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1dji h GLU 199 N 0.00 -0.44 -0.45 -0.67 4.81 -1.98 -0.61 114.58 115.24 1dji h GLU 199 Ca 0.00 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.39 1dji h GLU 199 Cb 0.00 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1dji h GLU 199 CO 0.00 -0.29 0.58 0.93 -0.73 0.00 0.00 179.01 179.50 1dji h GLU 200 N -0.45 0.00 -0.10 1.92 5.08 -1.78 0.23 114.58 119.48 1dji h GLU 200 Ca 0.09 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.22 1dji h GLU 200 Cb 0.62 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.88 1dji h GLU 200 CO -0.44 0.00 -0.83 0.82 -1.00 0.00 0.00 179.01 177.56 1dji h ILE 201 N 0.00 1.29 -0.13 3.13 2.04 -0.36 0.01 117.51 123.49 1dji h ILE 201 Ca 0.21 -2.05 0.01 0.00 1.00 0.00 0.00 64.86 64.03 1dji h ILE 201 Cb 1.36 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.58 1dji h ILE 201 CO -0.00 0.64 0.06 -0.33 0.00 0.00 0.00 178.15 178.52 1dji h GLU 202 N 0.44 0.13 -0.76 2.37 5.08 -0.47 -1.45 114.58 119.91 1dji h GLU 202 Ca -0.08 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1dji h GLU 202 Cb 1.48 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.65 1dji h GLU 202 CO 0.17 0.09 0.50 1.15 -1.00 0.00 0.00 179.01 179.92 1dji h THR 203 N 0.14 1.09 0.25 1.13 2.02 -1.36 -1.41 112.91 114.77 1dji h THR 203 Ca 0.05 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1dji h THR 203 Cb 0.01 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1dji h THR 203 CO -0.04 0.16 -0.12 0.15 0.37 0.00 0.00 175.52 176.04 1dji h PHE 204 N 0.89 -0.31 -0.99 3.16 3.57 -0.17 -1.35 116.94 121.74 1dji h PHE 204 Ca 0.31 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.86 1dji h PHE 204 Cb 0.12 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 1dji h PHE 204 CO -0.00 -0.10 0.65 -0.92 -2.23 0.00 0.00 178.31 175.70 1dji h TYR 205 N -0.47 1.19 -0.32 0.41 3.20 -0.89 -0.85 116.97 119.25 1dji h TYR 205 Ca -0.03 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 1dji h TYR 205 Cb 0.35 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1dji h TYR 205 CO -0.02 0.63 -0.29 0.87 -1.64 0.00 0.00 178.16 177.71 1dji h LYS 206 N 1.18 0.77 -0.37 1.82 1.57 -1.22 0.13 116.57 120.45 1dji h LYS 206 Ca 0.42 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1dji h LYS 206 Cb 0.13 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1dji h LYS 206 CO -0.16 1.02 0.19 0.52 -0.57 0.00 0.00 179.45 180.46 1dji h MET 207 N 0.53 0.50 -0.05 3.15 2.86 -0.70 0.18 114.93 121.40 1dji h MET 207 Ca 0.05 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1dji h MET 207 Cb 0.87 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1dji h MET 207 CO 0.07 0.38 -0.20 1.25 1.06 0.00 0.00 176.91 179.47 1dji h LEU 208 N 0.51 0.27 -1.79 1.22 5.85 -0.66 -3.35 115.31 117.37 1dji h LEU 208 Ca 0.13 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1dji h LEU 208 Cb 0.03 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1dji h LEU 208 CO -0.02 0.86 -0.03 0.35 -0.34 0.00 0.00 178.44 179.25 1dji n THR 209 N -4.55 0.00 -2.07 1.05 -2.24 0.39 -4.97 114.28 101.89 1dji n THR 209 Ca -0.08 -0.46 -0.42 0.00 -2.27 0.00 0.00 64.05 60.82 1dji n THR 209 Cb 0.43 1.40 -0.03 0.00 -2.10 0.00 0.00 70.33 70.04 1dji n THR 209 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1dji s GLN 210 N -2.04 4.29 -0.53 -0.78 0.74 0.03 -4.96 119.66 116.41 1dji s GLN 210 Ca 0.28 2.22 -0.03 0.00 0.05 0.00 0.00 55.36 57.88 1dji s GLN 210 Cb 0.20 -3.16 0.14 0.00 1.10 0.00 0.00 33.01 31.28 1dji s GLN 210 CO 0.32 -0.43 0.34 1.03 -0.55 0.00 0.00 175.29 176.01 1dji s ARG 211 N 0.28 2.32 0.22 1.67 0.52 -1.26 -4.97 118.95 117.73 1dji s ARG 211 Ca 0.62 -2.24 -0.08 0.00 -0.52 0.00 0.00 55.73 53.51 1dji s ARG 211 Cb -0.40 -3.66 0.36 0.00 0.52 0.00 0.00 34.95 31.77 1dji s ARG 211 CO 0.37 -1.13 1.69 0.00 0.02 0.00 0.00 175.30 176.25 1dji h ALA 212 N 7.44 0.78 -0.55 2.13 0.00 -1.99 0.26 119.26 127.33 1dji h ALA 212 Ca -0.07 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1dji h ALA 212 Cb 0.99 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1dji h ALA 212 CO 0.71 -0.34 0.37 1.05 0.00 0.00 0.00 179.25 181.04 1dji h GLU 213 N 0.23 0.38 -0.05 0.00 9.09 -1.99 0.13 114.58 122.37 1dji h GLU 213 Ca 0.36 -0.02 -0.13 0.00 0.05 0.00 0.00 59.36 59.62 1dji h GLU 213 Cb 0.58 -0.08 0.01 0.00 -1.65 0.00 0.00 28.75 27.60 1dji h GLU 213 CO -0.48 0.25 -0.47 0.82 0.05 0.00 0.00 179.01 179.18 1dji h ILE 214 N 0.39 1.42 -0.21 -1.06 1.08 -1.42 -2.15 117.51 115.56 1dji h ILE 214 Ca 0.25 -1.90 0.05 0.00 -0.39 0.00 0.00 64.86 62.88 1dji h ILE 214 Cb 0.48 2.42 -0.06 0.00 -3.07 0.00 0.00 36.82 36.60 1dji h ILE 214 CO -0.07 0.55 -0.15 0.44 -0.69 0.00 0.00 178.15 178.23 1dji h ASP 215 N -0.09 -0.50 -0.80 1.72 3.32 -0.07 -0.24 116.42 119.76 1dji h ASP 215 Ca -0.04 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1dji h ASP 215 Cb 1.15 0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.91 1dji h ASP 215 CO 0.09 -0.19 0.39 -0.09 -1.72 0.00 0.00 179.24 177.72 1dji h ARG 216 N -0.15 1.16 -0.51 3.56 2.43 -0.83 0.08 114.38 120.12 1dji h ARG 216 Ca 0.12 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1dji h ARG 216 Cb 0.34 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1dji h ARG 216 CO -0.30 0.89 0.30 0.00 -1.51 0.00 0.00 179.97 179.35 1dji h ALA 217 N 1.20 0.65 0.20 2.80 0.00 -0.67 -0.98 119.26 122.46 1dji h ALA 217 Ca 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1dji h ALA 217 Cb 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1dji h ALA 217 CO -0.03 0.14 -0.10 0.35 0.00 0.00 0.00 179.25 179.61 1dji h PHE 218 N 0.68 -0.25 -0.66 0.00 3.57 -0.57 -2.40 116.94 117.30 1dji h PHE 218 Ca 0.18 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.80 1dji h PHE 218 Cb 0.01 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 38.74 1dji h PHE 218 CO -0.02 -0.09 0.18 1.49 -2.23 0.00 0.00 178.31 177.64 1dji h GLU 219 N -0.36 0.29 -0.87 1.11 4.81 -0.75 0.72 114.58 119.53 1dji h GLU 219 Ca -0.03 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1dji h GLU 219 Cb 0.28 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1dji h GLU 219 CO 0.05 0.20 0.52 0.93 -0.73 0.00 0.00 179.01 179.97 1dji h GLU 220 N 0.30 1.18 -0.14 1.92 5.08 -1.06 0.74 114.58 122.61 1dji h GLU 220 Ca 0.36 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1dji h GLU 220 Cb 0.55 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1dji h GLU 220 CO -0.43 0.83 -0.16 0.00 -1.00 0.00 0.00 179.01 178.26 1dji h ALA 221 N 1.28 0.20 0.11 3.43 0.00 -0.46 -3.31 119.26 120.51 1dji h ALA 221 Ca 0.31 -0.34 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 1dji h ALA 221 Cb -0.04 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1dji h ALA 221 CO -0.06 0.10 -1.19 0.00 0.00 0.00 0.00 179.25 178.10 1dji h ALA 222 N 0.59 0.13 -0.13 0.00 0.00 0.59 -3.46 119.26 116.97 1dji h ALA 222 Ca 0.02 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1dji h ALA 222 Cb 0.71 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1dji h ALA 222 CO 0.04 0.88 0.00 0.41 0.00 0.00 0.00 179.25 180.58 1dji n GLY 223 N 1.39 0.74 0.23 0.00 0.00 0.25 -3.63 105.19 104.18 1dji n GLY 223 Ca -0.09 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 1dji n GLY 223 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1dji h SER 224 N 0.00 -0.45 -1.85 1.61 4.64 -1.95 -3.45 113.55 112.10 1dji h SER 224 Ca 0.00 -0.04 -0.64 0.00 -0.47 0.00 0.00 61.79 60.64 1dji h SER 224 Cb 0.00 0.12 0.11 0.00 -0.31 0.00 0.00 62.40 62.31 1dji h SER 224 CO 0.00 -0.25 -0.10 0.00 -0.87 0.00 0.00 176.83 175.62 1dji n ALA 225 N -2.37 -1.32 1.93 5.18 0.00 -1.24 -4.80 120.51 117.89 1dji n ALA 225 Ca -0.11 0.42 0.14 0.00 0.00 0.00 0.00 53.44 53.90 1dji n ALA 225 Cb 0.25 -1.87 0.81 0.00 0.00 0.00 0.00 19.45 18.64 1dji n ALA 225 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1dji n GLU 226 N 0.95 1.08 -4.15 0.00 2.13 -1.26 -4.80 120.64 114.59 1dji n GLU 226 Ca 0.13 -0.12 -0.10 0.00 0.66 0.00 0.00 57.16 57.73 1dji n GLU 226 Cb 0.28 -1.45 -0.10 0.00 0.27 0.00 0.00 31.44 30.44 1dji n GLU 226 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1dji s THR 227 N -1.99 0.61 -0.25 6.31 2.01 -1.26 -4.55 115.64 116.51 1dji s THR 227 Ca 0.42 -1.82 -0.10 0.00 0.31 0.00 0.00 61.69 60.51 1dji s THR 227 Cb 0.20 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 1dji s THR 227 CO 0.33 -0.84 0.14 -0.76 -0.69 0.00 0.00 174.62 172.80 1dji s LEU 228 N -2.86 3.89 0.42 4.42 1.43 0.15 -4.80 118.68 121.34 1dji s LEU 228 Ca 0.09 -0.00 -0.10 0.00 -1.03 0.00 0.00 54.13 53.09 1dji s LEU 228 Cb 0.04 -2.05 -0.06 0.00 0.03 0.00 0.00 46.19 44.15 1dji s LEU 228 CO -0.05 0.02 0.78 -0.94 0.23 0.00 0.00 176.35 176.39 1dji s SER 229 N 1.30 6.48 0.30 2.29 1.04 -1.26 0.47 113.70 124.32 1dji s SER 229 Ca 0.06 1.11 0.06 0.00 0.48 0.00 0.00 55.95 57.66 1dji s SER 229 Cb -0.14 -2.32 0.78 0.00 0.10 0.00 0.00 66.02 64.44 1dji s SER 229 CO 0.06 -0.43 1.71 0.58 0.98 0.00 0.00 173.24 176.14 1dji h VAL 230 N 0.95 0.51 -0.12 5.02 2.07 -1.93 0.47 116.25 123.23 1dji h VAL 230 Ca -0.47 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 1dji h VAL 230 Cb 1.19 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1dji h VAL 230 CO 0.63 0.09 -0.35 -0.33 0.02 0.00 0.00 177.57 177.64 1dji h GLU 231 N 0.48 0.24 0.11 1.57 3.07 -1.92 -0.27 114.58 117.86 1dji h GLU 231 Ca 0.59 -0.10 -0.27 0.00 -0.50 0.00 0.00 59.36 59.08 1dji h GLU 231 Cb 1.10 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 29.01 1dji h GLU 231 CO -0.50 0.56 -1.19 0.00 -1.40 0.00 0.00 179.01 176.48 1dji h ARG 232 N 0.21 0.36 0.25 2.33 3.08 -0.67 -2.64 114.38 117.30 1dji h ARG 232 Ca 0.02 -0.53 -0.01 0.00 0.07 0.00 0.00 59.98 59.53 1dji h ARG 232 Cb 0.72 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1dji h ARG 232 CO 0.05 1.22 -0.12 1.25 -1.07 0.00 0.00 179.97 181.31 1dji h LEU 233 N 0.13 -0.29 -0.97 3.04 5.85 0.14 0.48 115.31 123.69 1dji h LEU 233 Ca -0.14 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.74 1dji h LEU 233 Cb 1.89 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.90 1dji h LEU 233 CO 0.20 -0.20 0.59 0.58 -0.34 0.00 0.00 178.44 179.27 1dji h VAL 234 N -0.33 0.83 -0.06 1.05 2.07 -1.11 0.70 116.25 119.39 1dji h VAL 234 Ca -0.03 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 1dji h VAL 234 Cb 0.26 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1dji h VAL 234 CO 0.05 0.16 -0.36 0.74 0.02 0.00 0.00 177.57 178.18 1dji h THR 235 N 0.86 1.28 0.26 2.57 2.02 -0.93 -1.29 112.91 117.69 1dji h THR 235 Ca 0.51 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 1dji h THR 235 Cb 0.63 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1dji h THR 235 CO -0.31 0.39 -0.13 0.15 0.37 0.00 0.00 175.52 175.99 1dji h PHE 236 N 0.10 -0.33 -1.00 3.16 3.57 0.24 0.00 116.94 122.69 1dji h PHE 236 Ca 0.01 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.73 1dji h PHE 236 Cb 0.69 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.45 1dji h PHE 236 CO 0.01 0.02 0.63 -0.07 -2.23 0.00 0.00 178.31 176.66 1dji h LEU 237 N -0.73 0.56 0.00 0.59 3.38 -0.24 0.31 115.31 119.19 1dji h LEU 237 Ca -0.04 0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 1dji h LEU 237 Cb 0.49 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1dji h LEU 237 CO 0.06 0.16 -1.00 1.56 0.09 0.00 0.00 178.44 179.31 1dji h GLN 238 N 0.53 0.00 -0.16 1.13 4.20 -1.17 0.16 115.11 119.79 1dji h GLN 238 Ca 0.57 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 59.20 1dji h GLN 238 Cb 1.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 1dji h GLN 238 CO -0.31 0.91 -0.19 1.25 -0.67 0.00 0.00 178.83 179.82 1dji h HIS 239 N -1.00 0.50 0.00 2.96 2.76 -0.80 -2.62 115.15 116.96 1dji h HIS 239 Ca -0.27 -0.16 -0.23 0.00 -2.20 0.00 0.00 60.37 57.52 1dji h HIS 239 Cb 1.18 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 30.00 1dji h HIS 239 CO 0.10 0.81 -1.31 1.04 -1.30 0.00 0.00 177.93 177.27 1dji n GLN 240 N -4.49 0.55 0.00 5.26 1.13 0.10 -4.35 117.38 115.58 1dji n GLN 240 Ca -0.06 0.53 0.15 0.00 -1.94 0.00 0.00 57.00 55.68 1dji n GLN 240 Cb 0.39 -1.71 0.72 0.00 0.11 0.00 0.00 30.24 29.76 1dji n GLN 240 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1dji n GLN 241 N -4.44 0.52 -3.51 -1.09 1.13 -0.65 -3.76 117.38 105.58 1dji n GLN 241 Ca -0.31 -0.06 -0.24 0.00 -1.94 0.00 0.00 57.00 54.44 1dji n GLN 241 Cb 0.65 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.48 1dji n GLN 241 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1dji n ARG 242 N -1.19 -2.76 -2.29 -1.09 5.12 -0.56 -4.51 116.66 109.38 1dji n ARG 242 Ca 0.15 0.33 -0.39 0.00 -1.93 0.00 0.00 57.85 56.00 1dji n ARG 242 Cb 0.25 -4.98 -0.02 0.00 -1.16 0.00 0.00 32.46 26.55 1dji n ARG 242 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1dji s GLU 243 N -6.15 4.17 -0.11 5.56 0.41 0.46 -4.92 118.70 118.13 1dji s GLU 243 Ca 0.44 1.88 0.14 0.00 -0.41 0.00 0.00 54.97 57.03 1dji s GLU 243 Cb -0.24 -2.79 -0.24 0.00 -1.78 0.00 0.00 34.13 29.08 1dji s GLU 243 CO 0.54 -0.23 0.42 -1.91 -0.49 0.00 0.00 175.26 173.59 1dji n GLU 244 N 0.31 0.66 -0.14 1.61 2.13 -1.26 -3.58 120.64 120.36 1dji n GLU 244 Ca 0.03 0.18 0.01 0.00 0.66 0.00 0.00 57.16 58.04 1dji n GLU 244 Cb 0.46 -1.68 0.07 0.00 0.27 0.00 0.00 31.44 30.55 1dji n GLU 244 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1dji n GLU 245 N -2.94 1.60 -1.88 5.31 1.02 -1.26 -4.84 120.64 117.65 1dji n GLU 245 Ca -0.24 -0.52 -0.43 0.00 -0.02 0.00 0.00 57.16 55.96 1dji n GLU 245 Cb 1.09 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.94 1dji n GLU 245 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dji s ALA 246 N -1.38 3.24 -0.18 0.62 0.00 -1.24 -4.48 121.76 118.35 1dji s ALA 246 Ca 0.09 0.78 -0.34 0.00 0.00 0.00 0.00 51.96 52.49 1dji s ALA 246 Cb 0.07 -3.90 0.14 0.00 0.00 0.00 0.00 23.12 19.43 1dji s ALA 246 CO 0.03 -2.02 1.19 0.20 0.00 0.00 0.00 175.76 175.16 1dji s GLY 247 N 5.17 -0.29 0.57 0.00 0.00 -1.26 -4.98 107.32 106.53 1dji s GLY 247 Ca 0.83 1.62 0.38 0.00 0.00 0.00 0.00 44.72 47.54 1dji s GLY 247 CO 0.34 0.56 1.63 -2.55 0.00 0.00 0.00 173.10 173.08 1dji h PRO 248 N 2.02 0.00 -0.14 2.90 0.11 -1.91 1.09 132.00 136.06 1dji h PRO 248 Ca -0.10 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 1dji h PRO 248 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1dji h PRO 248 CO 0.24 0.00 0.08 0.00 -0.21 0.00 0.00 178.00 178.11 1dji h ALA 249 N 1.10 0.18 0.79 -0.75 0.00 -1.95 0.15 119.26 118.78 1dji h ALA 249 Ca 0.62 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.44 1dji h ALA 249 Cb 2.75 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 20.49 1dji h ALA 249 CO -0.01 -0.29 -0.38 1.25 0.00 0.00 0.00 179.25 179.83 1dji h LEU 250 N 0.14 -0.90 -0.95 0.00 5.85 0.97 -1.56 115.31 118.86 1dji h LEU 250 Ca 0.05 0.02 0.21 0.00 0.84 0.00 0.00 57.88 59.01 1dji h LEU 250 Cb 0.06 0.23 -0.12 0.00 0.37 0.00 0.00 40.66 41.21 1dji h LEU 250 CO -0.01 -0.55 0.51 0.00 -0.34 0.00 0.00 178.44 178.06 1dji h ALA 251 N -1.19 1.59 -0.15 1.25 0.00 -1.33 -0.26 119.26 119.17 1dji h ALA 251 Ca -0.11 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1dji h ALA 251 Cb 0.82 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1dji h ALA 251 CO 0.18 -0.23 0.01 -0.07 0.00 0.00 0.00 179.25 179.14 1dji h LEU 252 N 0.56 0.26 -1.19 0.00 3.38 -0.59 -1.91 115.31 115.81 1dji h LEU 252 Ca 0.58 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1dji h LEU 252 Cb 1.04 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1dji h LEU 252 CO -0.46 0.49 0.17 0.77 0.09 0.00 0.00 178.44 179.50 1dji h SER 253 N 0.02 0.68 -0.02 -0.43 4.64 -0.22 0.28 113.55 118.49 1dji h SER 253 Ca 0.04 -0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1dji h SER 253 Cb 0.35 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1dji h SER 253 CO 0.01 0.63 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.50 1dji h LEU 254 N 0.73 -0.10 -0.19 5.97 3.38 -0.82 0.34 115.31 124.63 1dji h LEU 254 Ca 0.17 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1dji h LEU 254 Cb 0.19 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1dji h LEU 254 CO -0.01 -0.05 0.12 0.40 0.09 0.00 0.00 178.44 178.99 1dji h ILE 255 N -0.05 1.05 -0.72 1.22 2.04 -0.80 0.94 117.51 121.19 1dji h ILE 255 Ca 0.02 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1dji h ILE 255 Cb 0.08 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1dji h ILE 255 CO -0.05 0.05 0.39 -0.08 0.00 0.00 0.00 178.15 178.46 1dji h GLU 256 N 0.25 0.99 -0.01 2.37 4.57 -0.63 0.30 114.58 122.42 1dji h GLU 256 Ca 0.07 -0.11 -0.20 0.00 -1.18 0.00 0.00 59.36 57.94 1dji h GLU 256 Cb -0.03 -0.20 0.02 0.00 -0.16 0.00 0.00 28.75 28.38 1dji h GLU 256 CO -0.01 0.73 -0.76 -0.09 -1.18 0.00 0.00 179.01 177.69 1dji h ARG 257 N 1.00 0.53 0.00 1.92 2.43 0.43 -3.41 114.38 117.29 1dji h ARG 257 Ca 0.25 -0.56 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1dji h ARG 257 Cb 0.03 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1dji h ARG 257 CO -0.04 1.19 -1.29 0.66 -1.51 0.00 0.00 179.97 178.98 1dji n TYR 258 N -4.08 0.00 -1.93 2.20 4.01 0.32 -4.99 117.16 112.69 1dji n TYR 258 Ca -0.10 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.21 1dji n TYR 258 Cb 0.75 -0.20 -0.03 0.00 -0.31 0.00 0.00 39.34 39.55 1dji n TYR 258 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1dji s GLU 259 N -2.60 3.93 0.16 -0.72 2.56 0.08 -4.50 118.70 117.62 1dji s GLU 259 Ca -0.02 2.09 -0.02 0.00 0.00 0.00 0.00 54.97 57.02 1dji s GLU 259 Cb 0.07 -4.08 0.00 0.00 2.00 0.00 0.00 34.13 32.12 1dji s GLU 259 CO 0.44 -1.16 1.39 -1.00 -0.56 0.00 0.00 175.26 174.37 1dji h PRO 260 N 10.78 0.39 -6.17 4.30 0.13 -1.90 -3.43 132.00 136.10 1dji h PRO 260 Ca -0.40 -0.35 -0.52 0.00 -0.87 0.00 0.00 66.00 63.85 1dji h PRO 260 Cb 1.19 0.09 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 1dji h PRO 260 CO 0.97 1.01 1.24 0.45 -0.23 0.00 0.00 178.00 181.44 1dji s SER 261 N -7.00 5.67 0.38 1.44 0.15 -1.26 -4.86 113.70 108.23 1dji s SER 261 Ca -0.05 0.25 0.17 0.00 0.70 0.00 0.00 55.95 57.02 1dji s SER 261 Cb 0.10 -2.54 1.08 0.00 -1.71 0.00 0.00 66.02 62.95 1dji s SER 261 CO 0.85 -2.08 1.75 -0.33 1.20 0.00 0.00 173.24 174.63 1dji h GLU 262 N 13.01 0.40 0.40 5.44 4.39 -1.99 0.44 114.58 136.67 1dji h GLU 262 Ca -0.27 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 1dji h GLU 262 Cb 1.13 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1dji h GLU 262 CO 1.21 0.27 -0.19 1.79 -1.16 0.00 0.00 179.01 180.92 1dji h THR 263 N 0.41 0.00 -0.98 1.13 1.35 -1.97 -1.20 112.91 111.65 1dji h THR 263 Ca 0.62 -0.36 0.19 0.00 -0.55 0.00 0.00 66.41 66.31 1dji h THR 263 Cb 1.51 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 67.83 1dji h THR 263 CO -0.34 0.00 0.61 0.00 -0.25 0.00 0.00 175.52 175.54 1dji h ALA 264 N -1.39 1.83 0.35 6.62 0.00 -1.67 0.91 119.26 125.91 1dji h ALA 264 Ca -0.05 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dji h ALA 264 Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1dji h ALA 264 CO 0.09 -0.17 -0.37 -0.22 0.00 0.00 0.00 179.25 178.58 1dji h LYS 265 N 0.67 -0.72 -0.92 0.00 3.64 -0.17 0.30 116.57 119.37 1dji h LYS 265 Ca 0.55 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 60.11 1dji h LYS 265 Cb 0.98 0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.87 1dji h LYS 265 CO -0.32 -0.48 0.54 0.00 -2.27 0.00 0.00 179.45 176.92 1dji h ALA 266 N -0.30 1.41 -0.30 5.00 0.00 0.18 0.31 119.26 125.55 1dji h ALA 266 Ca -0.02 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1dji h ALA 266 Cb 0.68 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1dji h ALA 266 CO -0.07 0.06 0.09 1.04 0.00 0.00 0.00 179.25 180.37 1dji n GLN 267 N -4.74 2.32 -3.86 0.00 6.02 0.21 -4.90 117.38 112.42 1dji n GLN 267 Ca 0.18 -1.33 -0.32 0.00 -0.01 0.00 0.00 57.00 55.52 1dji n GLN 267 Cb 0.40 -1.73 0.01 0.00 1.02 0.00 0.00 30.24 29.95 1dji n GLN 267 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1dji n ARG 268 N 0.12 -1.77 -4.00 -1.09 1.74 0.10 -4.97 116.66 106.78 1dji n ARG 268 Ca 0.16 0.37 -0.09 0.00 -0.77 0.00 0.00 57.85 57.52 1dji n ARG 268 Cb 0.77 -3.99 -0.11 0.00 -1.02 0.00 0.00 32.46 28.11 1dji n ARG 268 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1dji s GLN 269 N -6.45 0.38 -0.14 5.56 -0.21 0.94 -3.26 119.66 116.47 1dji s GLN 269 Ca 0.30 -0.73 0.01 0.00 0.02 0.00 0.00 55.36 54.96 1dji s GLN 269 Cb -0.12 0.14 0.00 0.00 1.00 0.00 0.00 33.01 34.03 1dji s GLN 269 CO 0.89 -0.07 -0.18 1.41 -2.12 0.00 0.00 175.29 175.23 1dji s MET 270 N -1.98 3.16 0.76 2.91 -2.45 0.18 -3.89 119.30 117.99 1dji s MET 270 Ca -0.11 -0.78 -0.08 0.00 -1.25 0.00 0.00 55.69 53.47 1dji s MET 270 Cb -0.06 -2.55 0.09 0.00 1.25 0.00 0.00 34.83 33.56 1dji s MET 270 CO -0.03 0.03 1.08 0.95 1.05 0.00 0.00 175.02 178.10 1dji s THR 271 N 0.75 2.19 0.25 10.11 -4.23 -1.26 0.32 115.64 123.76 1dji s THR 271 Ca -0.07 -0.24 -0.06 0.00 -1.18 0.00 0.00 61.69 60.14 1dji s THR 271 Cb -0.16 -2.95 0.23 0.00 1.34 0.00 0.00 72.50 70.97 1dji s THR 271 CO 0.01 0.00 1.89 0.50 -0.54 0.00 0.00 174.62 176.48 1dji h LYS 272 N -0.81 1.27 -0.22 3.99 3.64 -1.99 0.56 116.57 123.02 1dji h LYS 272 Ca -0.44 -0.12 0.05 0.00 -1.27 0.00 0.00 60.65 58.88 1dji h LYS 272 Cb 1.30 -0.27 -0.05 0.00 -0.41 0.00 0.00 32.23 32.80 1dji h LYS 272 CO 0.55 0.89 -0.11 -0.44 -2.27 0.00 0.00 179.45 178.07 1dji h ASP 273 N 1.29 -0.37 0.38 4.20 3.32 -1.98 0.31 116.42 123.58 1dji h ASP 273 Ca 0.34 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.42 1dji h ASP 273 Cb -0.05 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1dji h ASP 273 CO -0.06 -0.14 -0.25 1.23 -1.72 0.00 0.00 179.24 178.29 1dji h GLY 274 N -0.09 0.00 0.79 2.75 0.00 -1.68 -0.21 103.07 104.63 1dji h GLY 274 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1dji h GLY 274 CO -0.27 0.00 0.02 -2.75 0.00 0.00 0.00 176.54 173.53 1dji h PHE 275 N 0.00 0.18 -0.59 5.60 3.57 0.17 -1.06 116.94 124.81 1dji h PHE 275 Ca -0.00 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1dji h PHE 275 Cb 0.51 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1dji h PHE 275 CO 0.00 0.37 0.13 1.25 -2.23 0.00 0.00 178.31 177.84 1dji h LEU 276 N -0.07 0.91 -0.08 0.59 5.85 -0.12 -1.31 115.31 121.09 1dji h LEU 276 Ca 0.03 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1dji h LEU 276 Cb 0.29 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1dji h LEU 276 CO 0.00 0.92 -0.05 0.24 -0.34 0.00 0.00 178.44 179.21 1dji h MET 277 N 0.87 -0.05 -0.53 1.25 2.86 -0.95 -0.13 114.93 118.24 1dji h MET 277 Ca 0.19 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.89 1dji h MET 277 Cb 0.37 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 1dji h MET 277 CO 0.00 -0.04 0.23 -0.92 1.06 0.00 0.00 176.91 177.25 1dji h TYR 278 N -0.05 0.42 0.00 -0.22 3.20 -0.98 -1.15 116.97 118.18 1dji h TYR 278 Ca 0.05 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1dji h TYR 278 Cb 0.13 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 1dji h TYR 278 CO -0.16 0.17 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.33 1dji h LEU 279 N 0.44 0.00 -0.77 2.82 3.38 -0.42 -2.04 115.31 118.73 1dji h LEU 279 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1dji h LEU 279 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1dji h LEU 279 CO -0.21 0.13 -0.36 0.18 0.09 0.00 0.00 178.44 178.26 1dji n LEU 280 N -3.92 1.56 0.00 1.67 4.77 -0.14 -3.99 117.00 116.95 1dji n LEU 280 Ca -0.02 -0.52 -0.28 0.00 -0.03 0.00 0.00 56.01 55.16 1dji n LEU 280 Cb 0.22 -0.06 0.19 0.00 -2.33 0.00 0.00 43.42 41.44 1dji n LEU 280 CO 0.32 0.29 0.81 -1.54 -1.33 0.00 0.00 177.39 175.94 1dji n SER 281 N -0.29 0.27 0.27 -1.43 3.41 -0.51 -4.85 113.62 110.49 1dji n SER 281 Ca 0.11 -1.56 0.13 0.00 -0.26 0.00 0.00 58.87 57.29 1dji n SER 281 Cb 0.41 -0.94 0.78 0.00 -0.26 0.00 0.00 64.21 64.20 1dji n SER 281 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dji h ALA 282 N -1.63 1.37 0.00 7.33 0.00 -1.90 -0.41 119.26 124.01 1dji h ALA 282 Ca -0.41 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 1dji h ALA 282 Cb 1.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1dji h ALA 282 CO 0.30 0.11 -0.57 -0.44 0.00 0.00 0.00 179.25 178.65 1dji h ASP 283 N 0.00 0.00 0.50 0.00 3.32 -1.93 -3.17 116.42 115.14 1dji h ASP 283 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1dji h ASP 283 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1dji h ASP 283 CO 0.01 0.47 -0.55 0.61 -1.72 0.00 0.00 179.24 178.05 1dji n GLY 284 N 1.23 -1.25 3.68 2.75 0.00 -0.29 -4.93 105.19 106.39 1dji n GLY 284 Ca 0.01 -0.36 -0.45 0.00 0.00 0.00 0.00 46.02 45.23 1dji n GLY 284 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dji n ASN 285 N -1.56 3.11 0.31 1.61 2.85 -0.44 -2.20 115.26 118.93 1dji n ASN 285 Ca 0.05 1.11 0.20 0.00 -0.11 0.00 0.00 54.58 55.83 1dji n ASN 285 Cb 0.35 -1.46 1.01 0.00 1.24 0.00 0.00 39.78 40.92 1dji n ASN 285 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1dji h ALA 286 N 5.20 1.05 -2.34 5.20 0.00 -1.54 -3.38 119.26 123.46 1dji h ALA 286 Ca -0.45 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 53.80 1dji h ALA 286 Cb 1.26 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.89 1dji h ALA 286 CO 0.83 0.02 0.02 0.12 0.00 0.00 0.00 179.25 180.24 1dji s PHE 287 N -4.03 3.14 -0.46 0.00 2.19 -1.26 -0.13 117.98 117.43 1dji s PHE 287 Ca -0.03 0.09 -0.42 0.00 0.33 0.00 0.00 56.93 56.90 1dji s PHE 287 Cb 0.12 -3.09 -0.17 0.00 -1.31 0.00 0.00 43.02 38.57 1dji s PHE 287 CO 0.47 -0.67 2.06 0.45 1.83 0.00 0.00 175.22 179.36 1dji n SER 288 N 5.94 1.16 -0.27 6.13 2.88 0.31 -4.85 113.62 124.93 1dji n SER 288 Ca -0.03 0.72 0.11 0.00 -1.33 0.00 0.00 58.87 58.33 1dji n SER 288 Cb 0.48 -0.98 0.36 0.00 -0.75 0.00 0.00 64.21 63.32 1dji n SER 288 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1dji h LEU 289 N 9.04 0.68 -1.52 2.46 5.85 -1.84 -1.29 115.31 128.69 1dji h LEU 289 Ca -0.20 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1dji h LEU 289 Cb 1.39 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 1dji h LEU 289 CO 1.06 0.36 0.30 0.00 -0.34 0.00 0.00 178.44 179.82 1dji h ALA 290 N 1.59 1.65 -0.00 1.25 0.00 -1.93 -0.90 119.26 120.92 1dji h ALA 290 Ca 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1dji h ALA 290 Cb 0.66 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1dji h ALA 290 CO -0.20 0.32 -0.03 0.72 0.00 0.00 0.00 179.25 180.06 1dji n HIS 291 N -4.46 0.00 -0.48 0.00 8.25 -0.50 -3.66 115.22 114.38 1dji n HIS 291 Ca 0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.38 1dji n HIS 291 Cb 0.06 -0.12 0.15 0.00 1.12 0.00 0.00 29.99 31.20 1dji n HIS 291 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1dji n ARG 292 N -0.97 2.21 -3.77 -0.41 1.74 -0.34 -1.64 116.66 113.48 1dji n ARG 292 Ca 0.19 -2.07 -0.12 0.00 -0.77 0.00 0.00 57.85 55.08 1dji n ARG 292 Cb 0.21 -1.85 -0.08 0.00 -1.02 0.00 0.00 32.46 29.72 1dji n ARG 292 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1dji s ARG 293 N -2.24 0.77 -0.01 5.56 1.70 -1.24 -4.32 118.95 119.16 1dji s ARG 293 Ca 0.39 -0.49 -0.30 0.00 -0.47 0.00 0.00 55.73 54.86 1dji s ARG 293 Cb 0.32 0.33 -0.08 0.00 -0.57 0.00 0.00 34.95 34.95 1dji s ARG 293 CO 0.08 -0.24 1.98 0.08 -1.08 0.00 0.00 175.30 176.13 1dji s VAL 294 N -2.39 3.06 0.00 4.99 1.01 -1.25 -3.03 120.40 122.79 1dji s VAL 294 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1dji s VAL 294 Cb -0.02 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1dji s VAL 294 CO -0.02 -0.01 0.12 0.00 0.00 0.00 0.00 175.10 175.18 1dji n TYR 295 N 8.14 0.00 -2.81 5.22 4.11 -1.26 -4.96 117.16 125.60 1dji n TYR 295 Ca 0.21 -0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.89 1dji n TYR 295 Cb 0.42 -0.00 0.02 0.00 -0.00 0.00 0.00 39.34 39.78 1dji n TYR 295 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1dji s GLN 296 N -0.01 2.80 -0.59 -3.48 -0.21 -1.26 -4.99 119.66 111.92 1dji s GLN 296 Ca 0.00 -0.64 -0.27 0.00 0.02 0.00 0.00 55.36 54.47 1dji s GLN 296 Cb 0.00 -2.52 -0.02 0.00 1.00 0.00 0.00 33.01 31.46 1dji s GLN 296 CO 0.00 -0.50 1.89 0.34 -2.12 0.00 0.00 175.29 174.90 1dji s ASP 297 N -4.32 5.26 -0.16 5.90 -1.08 -1.26 -4.82 116.67 116.18 1dji s ASP 297 Ca 0.53 0.43 0.06 0.00 -0.52 0.00 0.00 52.55 53.05 1dji s ASP 297 Cb -0.10 -2.53 0.43 0.00 -1.46 0.00 0.00 42.92 39.27 1dji s ASP 297 CO 0.38 -2.37 1.26 0.23 0.52 0.00 0.00 175.17 175.20 1dji n MET 298 N 9.13 2.82 -0.14 4.34 2.81 -1.26 -4.23 117.12 130.59 1dji n MET 298 Ca 0.21 -1.72 0.05 0.00 -1.81 0.00 0.00 57.70 54.43 1dji n MET 298 Cb 0.52 -1.86 0.12 0.00 -0.71 0.00 0.00 33.22 31.29 1dji n MET 298 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1dji n ASP 299 N 0.17 2.71 -4.97 7.83 8.00 -1.26 -1.83 116.55 127.20 1dji n ASP 299 Ca 0.19 -1.96 -0.22 0.00 0.71 0.00 0.00 54.79 53.52 1dji n ASP 299 Cb 0.86 -0.18 0.04 0.00 -0.02 0.00 0.00 41.12 41.82 1dji n ASP 299 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1dji s GLN 300 N -0.98 2.59 0.30 -1.24 -0.21 -1.26 -4.77 119.66 114.08 1dji s GLN 300 Ca 0.19 -0.68 -0.29 0.00 0.02 0.00 0.00 55.36 54.59 1dji s GLN 300 Cb 0.10 -2.47 -0.10 0.00 1.00 0.00 0.00 33.01 31.54 1dji s GLN 300 CO 0.13 -0.70 1.23 -1.25 -2.12 0.00 0.00 175.29 172.59 1dji s PRO 301 N -4.78 4.46 0.21 2.91 0.05 -1.26 -3.75 135.00 132.84 1dji s PRO 301 Ca 0.56 2.05 0.06 0.00 0.05 0.00 0.00 61.00 63.73 1dji s PRO 301 Cb -0.10 -3.13 0.64 0.00 0.05 0.00 0.00 34.50 31.96 1dji s PRO 301 CO 0.39 -0.05 1.00 1.28 0.05 0.00 0.00 177.00 179.67 1dji n LEU 302 N 1.13 0.05 0.00 -3.56 4.77 0.30 0.75 117.00 120.44 1dji n LEU 302 Ca 0.00 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.05 1dji n LEU 302 Cb 0.43 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1dji n LEU 302 CO 0.57 -1.13 0.45 -1.54 -1.33 0.00 0.00 177.39 174.41 1dji n SER 303 N -4.67 0.00 -0.06 -1.43 3.41 -1.26 -1.48 113.62 108.13 1dji n SER 303 Ca 0.19 0.37 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 1dji n SER 303 Cb 0.63 -0.37 0.08 0.00 -0.26 0.00 0.00 64.21 64.29 1dji n SER 303 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1dji n HIS 304 N -1.36 0.00 -4.16 7.33 8.25 0.23 -4.67 115.22 120.83 1dji n HIS 304 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 1dji n HIS 304 Cb 0.03 -0.11 -0.07 0.00 1.12 0.00 0.00 29.99 30.96 1dji n HIS 304 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1dji s TYR 305 N -2.92 2.96 0.11 4.41 1.51 -0.55 -0.42 117.35 122.45 1dji s TYR 305 Ca 0.11 -0.09 -0.21 0.00 -1.01 0.00 0.00 57.07 55.87 1dji s TYR 305 Cb 0.17 -1.42 -0.07 0.00 -0.11 0.00 0.00 41.96 40.52 1dji s TYR 305 CO 0.75 0.52 0.64 -0.51 -1.11 0.00 0.00 175.55 175.84 1dji s LEU 306 N -3.03 4.54 -0.10 -1.29 1.43 0.13 -4.69 118.68 115.67 1dji s LEU 306 Ca 0.29 1.39 0.04 0.00 -1.03 0.00 0.00 54.13 54.82 1dji s LEU 306 Cb -0.09 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1dji s LEU 306 CO 0.20 0.24 -0.23 -0.69 0.23 0.00 0.00 176.35 176.11 1dji s VAL 307 N -1.14 2.00 -0.08 -1.59 1.01 -0.44 -1.26 120.40 118.90 1dji s VAL 307 Ca 0.32 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 1dji s VAL 307 Cb -0.20 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.38 1dji s VAL 307 CO 0.21 0.55 1.73 -0.55 0.00 0.00 0.00 175.10 177.04 1dji s SER 308 N 0.42 6.51 -0.01 3.32 0.15 -0.56 -4.39 113.70 119.14 1dji s SER 308 Ca -0.17 2.18 0.03 0.00 0.70 0.00 0.00 55.95 58.68 1dji s SER 308 Cb -0.18 -2.53 -0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1dji s SER 308 CO 0.07 -1.06 -0.08 -0.44 1.20 0.00 0.00 173.24 172.92 1dji s SER 309 N 3.97 1.05 -0.06 5.45 0.01 -1.26 -0.81 113.70 122.05 1dji s SER 309 Ca 0.77 -0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.88 1dji s SER 309 Cb -0.33 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.68 1dji s SER 309 CO 0.32 0.09 -0.04 -0.55 0.41 0.00 0.00 173.24 173.46 1dji s SER 310 N -0.04 4.83 -0.18 2.44 0.15 0.33 -2.23 113.70 118.99 1dji s SER 310 Ca 0.01 0.00 -0.11 0.00 0.70 0.00 0.00 55.95 56.56 1dji s SER 310 Cb -0.05 -1.24 -0.05 0.00 -1.71 0.00 0.00 66.02 62.97 1dji s SER 310 CO -0.00 0.35 0.17 -2.28 1.20 0.00 0.00 173.24 172.67 1dji s HIS 311 N -0.88 3.44 -1.54 3.44 5.04 0.50 -4.03 115.29 121.26 1dji s HIS 311 Ca 0.14 0.41 -0.02 0.00 -1.54 0.00 0.00 55.06 54.05 1dji s HIS 311 Cb -0.11 -2.18 0.02 0.00 0.04 0.00 0.00 32.58 30.35 1dji s HIS 311 CO 0.03 0.32 0.13 0.09 -2.34 0.00 0.00 174.74 172.98 1dji n ASN 312 N 3.38 0.47 -0.59 9.88 3.02 -1.26 -4.61 115.26 125.55 1dji n ASN 312 Ca -0.15 -1.22 0.47 0.00 -0.03 0.00 0.00 54.58 53.64 1dji n ASN 312 Cb 0.52 -1.90 0.76 0.00 -0.61 0.00 0.00 39.78 38.55 1dji n ASN 312 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1dji h THR 313 N -1.74 0.04 0.00 3.41 2.02 -1.77 -0.44 112.91 114.42 1dji h THR 313 Ca -0.65 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1dji h THR 313 Cb 1.39 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1dji h THR 313 CO 0.70 0.00 0.00 0.10 0.37 0.00 0.00 175.52 176.70 1dji h TYR 314 N 0.01 0.00 -3.52 3.16 -0.00 -1.85 -3.36 116.97 111.41 1dji h TYR 314 Ca 0.89 0.00 -0.53 0.00 -0.00 0.00 0.00 58.73 59.09 1dji h TYR 314 Cb 3.28 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 39.98 1dji h TYR 314 CO -0.00 0.00 0.25 -0.51 -0.00 0.00 0.00 178.16 177.90 1dji s LEU 315 N -6.01 4.51 -0.01 0.10 1.43 -0.18 -1.00 118.68 117.51 1dji s LEU 315 Ca -0.01 1.64 0.17 0.00 -1.03 0.00 0.00 54.13 54.90 1dji s LEU 315 Cb 0.10 -3.40 -0.19 0.00 0.03 0.00 0.00 46.19 42.74 1dji s LEU 315 CO 0.47 0.03 0.61 0.18 0.23 0.00 0.00 176.35 177.87 1dji n LEU 316 N 2.51 0.58 0.00 1.79 4.77 -0.88 -4.78 117.00 120.98 1dji n LEU 316 Ca -0.01 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1dji n LEU 316 Cb 0.49 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1dji n LEU 316 CO 0.49 0.22 0.00 -0.62 -1.33 0.00 0.00 177.39 176.14 1dji n GLU 317 N -2.79 0.00 -1.56 3.23 1.02 -1.26 -4.86 120.64 114.42 1dji n GLU 317 Ca -0.14 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.71 1dji n GLU 317 Cb 0.89 0.00 0.14 0.00 -0.02 0.00 0.00 31.44 32.45 1dji n GLU 317 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1dji s ASP 318 N 1.00 3.35 0.00 1.62 -4.77 -1.26 -4.65 116.67 111.96 1dji s ASP 318 Ca 0.00 0.86 0.28 0.00 -3.30 0.00 0.00 52.55 50.39 1dji s ASP 318 Cb 0.00 -1.36 1.06 0.00 -1.09 0.00 0.00 42.92 41.53 1dji s ASP 318 CO 0.00 -2.64 1.80 0.00 0.70 0.00 0.00 175.17 175.03 1dji n GLN 319 N -3.81 0.06 -0.07 2.11 1.13 0.11 -4.01 117.38 112.89 1dji n GLN 319 Ca 0.08 -0.01 -0.10 0.00 -1.94 0.00 0.00 57.00 55.03 1dji n GLN 319 Cb 0.59 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.37 1dji n GLN 319 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1dji n LEU 320 N -1.46 2.37 0.00 1.08 4.77 -1.26 -4.78 117.00 117.71 1dji n LEU 320 Ca 0.07 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1dji n LEU 320 Cb 0.33 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1dji n LEU 320 CO 0.29 0.67 0.00 0.35 -1.33 0.00 0.00 177.39 177.36 1dji n THR 321 N -2.85 0.00 -0.90 -5.08 -2.24 -1.26 -0.20 114.28 101.75 1dji n THR 321 Ca -0.26 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.24 1dji n THR 321 Cb 0.81 1.27 0.22 0.00 -2.10 0.00 0.00 70.33 70.53 1dji n THR 321 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1dji s GLY 322 N 0.00 1.54 0.69 3.38 0.00 -1.26 -4.43 107.32 107.24 1dji s GLY 322 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 44.72 44.19 1dji s GLY 322 CO 0.00 0.30 1.08 2.56 0.00 0.00 0.00 173.10 177.04 1dji s PRO 323 N -4.86 3.02 0.17 2.90 0.04 -1.26 -2.33 135.00 132.67 1dji s PRO 323 Ca 0.67 0.54 0.11 0.00 0.04 0.00 0.00 61.00 62.36 1dji s PRO 323 Cb -0.19 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1dji s PRO 323 CO 0.60 -0.94 -0.24 -1.12 0.04 0.00 0.00 177.00 175.34 1dji s SER 324 N -4.30 3.27 -0.13 6.66 0.01 -1.26 -2.08 113.70 115.87 1dji s SER 324 Ca 0.57 -0.82 -0.30 0.00 1.31 0.00 0.00 55.95 56.71 1dji s SER 324 Cb -0.11 -0.23 0.12 0.00 0.21 0.00 0.00 66.02 66.01 1dji s SER 324 CO 0.52 0.12 0.96 -0.55 0.41 0.00 0.00 173.24 174.71 1dji s SER 325 N -2.44 -0.39 0.40 2.44 0.15 -0.17 -4.83 113.70 108.87 1dji s SER 325 Ca 0.17 0.37 0.11 0.00 0.70 0.00 0.00 55.95 57.31 1dji s SER 325 Cb -0.08 0.33 0.85 0.00 -1.71 0.00 0.00 66.02 65.40 1dji s SER 325 CO 0.08 -0.39 1.93 0.71 1.20 0.00 0.00 173.24 176.77 1dji h THR 326 N 2.52 1.17 -0.76 6.45 1.35 -1.95 -1.37 112.91 120.32 1dji h THR 326 Ca -0.19 -0.78 0.18 0.00 -0.55 0.00 0.00 66.41 65.06 1dji h THR 326 Cb 1.17 1.30 -0.05 0.00 -1.73 0.00 0.00 68.15 68.85 1dji h THR 326 CO 0.32 0.24 0.52 -0.08 -0.25 0.00 0.00 175.52 176.26 1dji h GLU 327 N 0.13 0.27 -0.47 4.72 4.22 -1.94 0.32 114.58 121.82 1dji h GLU 327 Ca 0.03 -0.02 -0.06 0.00 0.08 0.00 0.00 59.36 59.39 1dji h GLU 327 Cb 0.39 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1dji h GLU 327 CO 0.03 0.18 0.04 0.00 -2.18 0.00 0.00 179.01 177.08 1dji h ALA 328 N 1.64 1.20 -0.16 2.92 0.00 -1.52 0.11 119.26 123.45 1dji h ALA 328 Ca 0.38 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1dji h ALA 328 Cb 1.07 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1dji h ALA 328 CO -0.09 0.53 -0.31 1.88 0.00 0.00 0.00 179.25 181.26 1dji h TYR 329 N 0.71 0.62 0.18 0.00 0.05 -0.51 -2.62 116.97 115.40 1dji h TYR 329 Ca 0.15 -0.22 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 1dji h TYR 329 Cb 0.37 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1dji h TYR 329 CO 0.02 0.94 -0.14 0.82 -1.05 0.00 0.00 178.16 178.75 1dji h ILE 330 N 0.13 0.69 -0.37 -2.88 2.04 -0.75 -0.26 117.51 116.12 1dji h ILE 330 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 1dji h ILE 330 Cb 0.90 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 1dji h ILE 330 CO 0.07 0.00 0.13 -0.09 0.00 0.00 0.00 178.15 178.26 1dji h ARG 331 N -0.33 0.27 -0.94 2.37 2.43 -0.86 0.32 114.38 117.66 1dji h ARG 331 Ca -0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1dji h ARG 331 Cb 0.29 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 1dji h ARG 331 CO -0.01 0.18 0.59 0.00 -1.51 0.00 0.00 179.97 179.22 1dji h ALA 332 N 1.24 1.19 -0.33 2.80 0.00 -1.27 -1.21 119.26 121.68 1dji h ALA 332 Ca 0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1dji h ALA 332 Cb 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1dji h ALA 332 CO -0.18 0.62 0.08 -0.07 0.00 0.00 0.00 179.25 179.70 1dji h LEU 333 N 1.28 0.51 -1.55 0.00 3.38 0.07 0.43 115.31 119.43 1dji h LEU 333 Ca 0.34 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1dji h LEU 333 Cb -0.10 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1dji h LEU 333 CO -0.07 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.07 1dji n LYS 335 N -2.50 3.05 -0.78 0.00 5.02 -0.52 -4.89 118.16 117.53 1dji n LYS 335 Ca -0.01 -2.32 0.00 0.00 -2.02 0.00 0.00 58.31 53.96 1dji n LYS 335 Cb 0.12 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 1dji n LYS 335 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dji n GLY 336 N 1.12 0.60 3.73 0.72 0.00 0.85 -5.01 105.19 107.20 1dji n GLY 336 Ca 0.21 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1dji n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dji n ARG 338 N 3.14 0.71 -3.53 0.00 5.12 0.01 -4.58 116.66 117.53 1dji n ARG 338 Ca 0.11 0.09 -0.42 0.00 -1.93 0.00 0.00 57.85 55.70 1dji n ARG 338 Cb 0.38 -1.49 -0.09 0.00 -1.16 0.00 0.00 32.46 30.10 1dji n ARG 338 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1dji s LEU 340 N 1.49 4.24 -0.12 0.00 1.43 -0.23 -0.51 118.68 124.98 1dji s LEU 340 Ca 0.03 0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1dji s LEU 340 Cb -0.24 -3.03 0.00 0.00 0.03 0.00 0.00 46.19 42.96 1dji s LEU 340 CO 0.03 -0.08 -0.22 -1.61 0.23 0.00 0.00 176.35 174.70 1dji s GLU 341 N -3.75 3.07 -0.16 1.70 2.02 -1.26 -0.74 118.70 119.58 1dji s GLU 341 Ca 0.36 -0.85 0.01 0.00 0.02 0.00 0.00 54.97 54.51 1dji s GLU 341 Cb -0.10 -2.39 0.02 0.00 0.10 0.00 0.00 34.13 31.76 1dji s GLU 341 CO 0.30 0.11 -0.18 -0.51 0.02 0.00 0.00 175.26 175.00 1dji s LEU 342 N 0.53 1.95 -0.48 1.80 1.02 0.05 -3.75 118.68 119.80 1dji s LEU 342 Ca -0.14 -0.57 -0.09 0.00 0.02 0.00 0.00 54.13 53.35 1dji s LEU 342 Cb -0.17 -1.35 0.12 0.00 0.02 0.00 0.00 46.19 44.82 1dji s LEU 342 CO 0.05 -0.01 0.36 -1.81 0.02 0.00 0.00 176.35 174.95 1dji s ASP 343 N 1.28 5.73 -0.19 2.29 1.01 -1.26 -0.70 116.67 124.82 1dji s ASP 343 Ca 0.03 -1.92 -0.17 0.00 0.71 0.00 0.00 52.55 51.20 1dji s ASP 343 Cb -0.13 -2.02 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 1dji s ASP 343 CO -0.10 -0.70 0.46 0.00 0.21 0.00 0.00 175.17 175.04 1dji s TRP 345 N 1.35 1.00 0.44 0.00 0.52 0.32 -0.26 118.94 122.31 1dji s TRP 345 Ca 0.22 -0.80 -0.24 0.00 0.02 0.00 0.00 56.10 55.30 1dji s TRP 345 Cb -0.15 -0.55 -0.08 0.00 -1.15 0.00 0.00 33.47 31.54 1dji s TRP 345 CO 0.09 -0.06 1.22 -0.51 0.02 0.00 0.00 176.95 177.70 1dji s ASP 346 N -2.87 6.19 0.31 2.95 1.11 -1.26 0.76 116.67 123.86 1dji s ASP 346 Ca 0.10 2.44 0.03 0.00 0.18 0.00 0.00 52.55 55.30 1dji s ASP 346 Cb 0.02 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.35 1dji s ASP 346 CO -0.02 -0.91 0.11 -0.83 1.18 0.00 0.00 175.17 174.69 1dji s GLY 347 N -1.13 2.03 1.01 0.21 0.00 -1.10 -4.56 107.32 103.78 1dji s GLY 347 Ca 0.61 -1.79 -0.12 0.00 0.00 0.00 0.00 44.72 43.42 1dji s GLY 347 CO 0.40 -1.68 0.87 -1.05 0.00 0.00 0.00 173.10 171.64 1dji n PRO 348 N -0.61 -1.07 -2.17 2.90 -0.02 -1.26 -2.91 135.00 129.86 1dji n PRO 348 Ca -0.01 -0.26 -0.16 0.00 -2.02 0.00 0.00 63.50 61.05 1dji n PRO 348 Cb 0.66 -2.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 1dji n PRO 348 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1dji n ASN 349 N -3.67 -4.56 -2.31 2.55 3.02 -1.26 -1.47 115.26 107.57 1dji n ASN 349 Ca 0.08 0.18 -0.15 0.00 -0.03 0.00 0.00 54.58 54.66 1dji n ASN 349 Cb 0.54 -3.91 -0.01 0.00 -0.61 0.00 0.00 39.78 35.78 1dji n ASN 349 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dji n GLN 350 N -2.66 -1.96 -3.83 3.52 1.13 -1.15 -4.92 117.38 107.51 1dji n GLN 350 Ca -0.18 0.75 -0.36 0.00 -1.94 0.00 0.00 57.00 55.27 1dji n GLN 350 Cb 0.61 -5.33 -0.13 0.00 0.11 0.00 0.00 30.24 25.49 1dji n GLN 350 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1dji s GLU 351 N -4.82 2.98 0.60 -1.09 0.41 -0.54 -4.87 118.70 111.36 1dji s GLU 351 Ca 0.00 -0.91 -0.20 0.00 -0.41 0.00 0.00 54.97 53.45 1dji s GLU 351 Cb 0.00 -3.24 -0.03 0.00 -1.78 0.00 0.00 34.13 29.08 1dji s GLU 351 CO 0.00 -0.44 1.32 -2.30 -0.49 0.00 0.00 175.26 173.35 1dji n PRO 352 N 4.79 1.38 -4.48 0.39 -0.02 -1.26 -2.73 135.00 133.07 1dji n PRO 352 Ca -0.15 0.52 -0.23 0.00 -2.02 0.00 0.00 63.50 61.62 1dji n PRO 352 Cb 0.47 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 31.30 1dji n PRO 352 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1dji s ILE 353 N -1.34 1.81 -0.04 4.25 -4.36 0.23 -1.80 121.20 119.95 1dji s ILE 353 Ca 0.77 -2.12 0.05 0.00 -0.26 0.00 0.00 60.65 59.09 1dji s ILE 353 Cb -0.40 -2.60 -0.01 0.00 1.25 0.00 0.00 42.46 40.71 1dji s ILE 353 CO 0.45 -0.21 -0.18 -0.63 0.24 0.00 0.00 174.94 174.60 1dji s ILE 354 N -2.89 1.49 -0.05 8.37 1.01 0.30 -0.52 121.20 128.91 1dji s ILE 354 Ca 0.32 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 1dji s ILE 354 Cb 0.04 -1.27 0.11 0.00 0.01 0.00 0.00 42.46 41.35 1dji s ILE 354 CO 0.14 0.43 1.33 -0.72 0.00 0.00 0.00 174.94 176.12 1dji s TYR 355 N -0.07 0.01 -0.42 3.97 1.13 -1.08 -1.16 117.35 119.73 1dji s TYR 355 Ca -0.02 -0.08 -0.24 0.00 -1.41 0.00 0.00 57.07 55.32 1dji s TYR 355 Cb -0.11 0.54 0.02 0.00 -1.10 0.00 0.00 41.96 41.31 1dji s TYR 355 CO 0.02 -0.17 0.85 -1.58 -2.51 0.00 0.00 175.55 172.15 1dji s HIS 356 N -2.06 3.01 0.13 -3.49 5.65 -1.26 -4.63 115.29 112.65 1dji s HIS 356 Ca 0.27 0.41 -0.35 0.00 0.25 0.00 0.00 55.06 55.64 1dji s HIS 356 Cb 0.01 -3.69 -0.16 0.00 -1.18 0.00 0.00 32.58 27.57 1dji s HIS 356 CO -0.02 -0.94 1.37 0.41 -0.65 0.00 0.00 174.74 174.91 1dji n GLY 357 N 4.78 0.57 2.25 1.59 0.00 -1.26 -2.26 105.19 110.87 1dji n GLY 357 Ca 0.04 0.64 -0.12 0.00 0.00 0.00 0.00 46.02 46.58 1dji n GLY 357 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1dji n TYR 358 N 2.47 -0.43 -4.14 1.61 4.01 -1.26 -5.01 117.16 114.41 1dji n TYR 358 Ca 0.17 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.83 1dji n TYR 358 Cb 0.24 -2.58 -0.03 0.00 -0.31 0.00 0.00 39.34 36.66 1dji n TYR 358 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1dji n THR 359 N -3.70 0.00 -0.46 -0.72 -2.24 -0.96 -5.04 114.28 101.16 1dji n THR 359 Ca -0.14 -0.84 0.08 0.00 -2.27 0.00 0.00 64.05 60.88 1dji n THR 359 Cb 0.56 0.35 0.25 0.00 -2.10 0.00 0.00 70.33 69.39 1dji n THR 359 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1dji n PHE 360 N -0.28 0.87 -1.72 4.78 3.72 0.71 -4.95 117.46 120.59 1dji n PHE 360 Ca -0.00 -0.60 -0.42 0.00 -0.05 0.00 0.00 57.45 56.38 1dji n PHE 360 Cb 0.21 -0.13 -0.01 0.00 -0.94 0.00 0.00 39.48 38.62 1dji n PHE 360 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1dji n THR 361 N 0.62 1.73 -0.62 4.37 -2.24 -1.11 -4.65 114.28 112.38 1dji n THR 361 Ca 0.19 -0.43 -0.31 0.00 -2.27 0.00 0.00 64.05 61.23 1dji n THR 361 Cb 0.65 -1.69 0.19 0.00 -2.10 0.00 0.00 70.33 67.39 1dji n THR 361 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1dji n SER 362 N 1.08 -1.12 -4.45 3.42 3.41 -0.98 -4.67 113.62 110.31 1dji n SER 362 Ca 0.05 0.13 -0.28 0.00 -0.26 0.00 0.00 58.87 58.52 1dji n SER 362 Cb 0.36 -1.29 -0.12 0.00 -0.26 0.00 0.00 64.21 62.90 1dji n SER 362 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1dji s LYS 363 N -4.25 1.63 0.13 4.33 1.02 -1.26 -4.18 119.74 117.16 1dji s LYS 363 Ca 0.65 -1.38 -0.00 0.00 0.02 0.00 0.00 55.97 55.25 1dji s LYS 363 Cb -0.22 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 1dji s LYS 363 CO 0.63 0.43 0.03 0.96 -0.92 0.00 0.00 175.35 176.48 1dji s ILE 364 N -1.45 0.24 0.16 2.17 -4.36 -0.31 -4.95 121.20 112.70 1dji s ILE 364 Ca 0.19 -1.91 -0.27 0.00 -0.26 0.00 0.00 60.65 58.40 1dji s ILE 364 Cb -0.09 -1.98 -0.07 0.00 1.25 0.00 0.00 42.46 41.56 1dji s ILE 364 CO 0.10 -0.54 0.85 -0.76 0.24 0.00 0.00 174.94 174.83 1dji s LEU 365 N -3.06 4.57 0.24 0.37 1.43 -1.26 0.11 118.68 121.08 1dji s LEU 365 Ca 0.22 1.72 -0.06 0.00 -1.03 0.00 0.00 54.13 54.98 1dji s LEU 365 Cb 0.07 -3.42 0.31 0.00 0.03 0.00 0.00 46.19 43.18 1dji s LEU 365 CO 0.01 0.12 1.85 0.15 0.23 0.00 0.00 176.35 178.70 1dji h PHE 366 N 4.71 0.96 -0.05 0.29 3.57 -1.64 -1.05 116.94 123.73 1dji h PHE 366 Ca -0.45 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 1dji h PHE 366 Cb 1.21 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 1dji h PHE 366 CO 0.64 0.50 0.02 0.00 -2.23 0.00 0.00 178.31 177.23 1dji h ASP 368 N -0.11 0.87 -0.47 0.00 3.32 -1.86 -0.85 116.42 117.32 1dji h ASP 368 Ca 0.02 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1dji h ASP 368 Cb 0.21 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1dji h ASP 368 CO -0.00 0.51 0.31 0.58 -1.72 0.00 0.00 179.24 178.92 1dji h VAL 369 N 0.98 1.12 -0.50 -1.35 2.07 -0.86 -2.57 116.25 115.13 1dji h VAL 369 Ca 0.43 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.70 1dji h VAL 369 Cb 0.31 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1dji h VAL 369 CO -0.22 0.11 0.19 -0.07 0.02 0.00 0.00 177.57 177.60 1dji h LEU 370 N 0.63 0.65 0.29 2.57 3.38 -0.14 -1.14 115.31 121.55 1dji h LEU 370 Ca 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1dji h LEU 370 Cb -0.07 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1dji h LEU 370 CO -0.04 0.60 -0.14 0.03 0.09 0.00 0.00 178.44 178.98 1dji h ARG 371 N 0.71 -0.37 -0.60 1.13 3.08 -0.95 0.10 114.38 117.48 1dji h ARG 371 Ca 0.17 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.32 1dji h ARG 371 Cb 0.16 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 1dji h ARG 371 CO -0.01 -0.25 0.26 0.00 -1.07 0.00 0.00 179.97 178.90 1dji h ALA 372 N 0.32 0.78 -0.38 0.04 0.00 -1.15 0.20 119.26 119.06 1dji h ALA 372 Ca -0.04 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1dji h ALA 372 Cb 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1dji h ALA 372 CO 0.07 -0.12 0.22 0.82 0.00 0.00 0.00 179.25 180.23 1dji h ILE 373 N 0.48 1.14 -0.35 0.00 2.04 -0.87 -1.43 117.51 118.53 1dji h ILE 373 Ca 0.29 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.85 1dji h ILE 373 Cb 0.29 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1dji h ILE 373 CO -0.25 0.14 0.05 -0.09 0.00 0.00 0.00 178.15 178.01 1dji h ARG 374 N 0.49 0.16 0.00 2.37 2.43 0.67 0.21 114.38 120.70 1dji h ARG 374 Ca 0.14 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1dji h ARG 374 Cb 0.04 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1dji h ARG 374 CO -0.02 0.10 -0.23 -0.44 -1.51 0.00 0.00 179.97 177.87 1dji h ASP 375 N 0.16 0.00 -0.00 -3.80 3.32 -0.21 -3.33 116.42 112.56 1dji h ASP 375 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1dji h ASP 375 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1dji h ASP 375 CO -0.24 0.23 -0.02 -1.22 -1.72 0.00 0.00 179.24 176.27 1dji n TYR 376 N -4.06 0.00 -0.33 4.55 4.02 -0.58 -4.76 117.16 115.99 1dji n TYR 376 Ca -0.02 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 58.06 1dji n TYR 376 Cb 0.30 0.00 0.40 0.00 -0.02 0.00 0.00 39.34 40.02 1dji n TYR 376 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1dji h ALA 377 N 0.20 1.77 -0.20 -0.72 0.00 -0.71 -2.30 119.26 117.30 1dji h ALA 377 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1dji h ALA 377 Cb 0.04 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1dji h ALA 377 CO 0.00 -0.37 0.00 1.19 0.00 0.00 0.00 179.25 180.07 1dji n PHE 378 N -4.97 0.36 -0.08 0.00 3.72 -1.26 -4.63 117.46 110.60 1dji n PHE 378 Ca 0.27 -0.60 0.06 0.00 -0.05 0.00 0.00 57.45 57.13 1dji n PHE 378 Cb 0.80 -0.09 0.41 0.00 -0.94 0.00 0.00 39.48 39.66 1dji n PHE 378 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1dji h LYS 379 N 1.22 0.60 0.00 -1.08 3.64 -1.71 -3.02 116.57 116.22 1dji h LYS 379 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1dji h LYS 379 Cb 0.80 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1dji h LYS 379 CO 0.03 0.39 -1.04 0.00 -2.27 0.00 0.00 179.45 176.57 1dji n ALA 380 N -2.47 3.65 -3.55 5.00 0.00 -1.26 -5.00 120.51 116.86 1dji n ALA 380 Ca 0.07 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.93 1dji n ALA 380 Cb 0.16 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 1dji n ALA 380 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1dji s SER 381 N -2.89 -0.54 0.28 0.00 0.15 -1.14 -4.63 113.70 104.92 1dji s SER 381 Ca 0.03 0.65 0.23 0.00 0.70 0.00 0.00 55.95 57.55 1dji s SER 381 Cb 0.12 0.52 0.12 0.00 -1.71 0.00 0.00 66.02 65.06 1dji s SER 381 CO 0.66 -0.46 1.23 1.55 1.20 0.00 0.00 173.24 177.42 1dji h PRO 382 N 3.02 0.00 -7.14 5.44 0.13 -1.86 -3.36 132.00 128.22 1dji h PRO 382 Ca -0.24 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.37 1dji h PRO 382 Cb 1.15 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.40 1dji h PRO 382 CO 0.32 0.00 0.42 0.71 -0.23 0.00 0.00 178.00 179.22 1dji s TYR 383 N -3.31 2.41 0.26 1.56 2.02 -1.26 -1.08 117.35 117.95 1dji s TYR 383 Ca 0.02 1.55 -0.30 0.00 -0.37 0.00 0.00 57.07 57.97 1dji s TYR 383 Cb 0.08 -3.36 -0.14 0.00 -0.40 0.00 0.00 41.96 38.14 1dji s TYR 383 CO 0.75 -2.07 1.20 -0.35 -1.57 0.00 0.00 175.55 173.52 1dji n PRO 384 N -2.05 1.64 -3.74 -1.71 -0.04 -1.25 -4.67 135.00 123.19 1dji n PRO 384 Ca 0.12 0.58 -0.36 0.00 -0.04 0.00 0.00 63.50 63.81 1dji n PRO 384 Cb 0.51 -2.10 -0.07 0.00 -0.04 0.00 0.00 33.50 31.80 1dji n PRO 384 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1dji s VAL 385 N -0.60 5.41 -0.17 0.52 1.01 -0.82 -4.83 120.40 120.93 1dji s VAL 385 Ca 0.64 0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.85 1dji s VAL 385 Cb -0.69 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1dji s VAL 385 CO 0.56 0.49 -0.03 -0.63 0.00 0.00 0.00 175.10 175.49 1dji s ILE 386 N -0.07 3.89 -0.29 2.22 1.01 -0.28 -0.46 121.20 127.23 1dji s ILE 386 Ca 0.12 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.34 1dji s ILE 386 Cb -0.12 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 1dji s ILE 386 CO 0.01 0.47 0.10 -0.76 0.00 0.00 0.00 174.94 174.76 1dji s LEU 387 N 0.60 3.82 -0.44 2.97 1.43 -0.08 -1.07 118.68 125.92 1dji s LEU 387 Ca -0.02 -0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 52.33 1dji s LEU 387 Cb -0.14 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.17 1dji s LEU 387 CO 0.02 -0.15 0.76 -0.55 0.23 0.00 0.00 176.35 176.66 1dji s SER 388 N 1.57 6.41 -0.21 2.29 0.15 0.08 -0.56 113.70 123.42 1dji s SER 388 Ca 0.04 -0.11 -0.17 0.00 0.70 0.00 0.00 55.95 56.42 1dji s SER 388 Cb -0.17 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1dji s SER 388 CO 0.04 -0.88 0.43 -0.76 1.20 0.00 0.00 173.24 173.27 1dji s LEU 389 N 3.20 4.14 -0.13 3.45 1.43 0.73 -0.77 118.68 130.74 1dji s LEU 389 Ca 0.29 0.54 0.18 0.00 -1.03 0.00 0.00 54.13 54.11 1dji s LEU 389 Cb -0.12 -2.57 0.73 0.00 0.03 0.00 0.00 46.19 44.26 1dji s LEU 389 CO 0.22 -0.12 1.64 1.21 0.23 0.00 0.00 176.35 179.53 1dji n GLU 390 N 4.65 3.85 0.00 1.70 2.13 0.12 -4.57 120.64 128.53 1dji n GLU 390 Ca -0.07 -2.92 0.00 0.00 0.66 0.00 0.00 57.16 54.83 1dji n GLU 390 Cb 0.51 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 30.29 1dji n GLU 390 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1dji n ASN 391 N 1.03 0.00 -0.19 4.31 5.15 -1.26 -4.45 115.26 119.85 1dji n ASN 391 Ca 0.26 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 54.30 1dji n ASN 391 Cb 0.92 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 40.26 1dji n ASN 391 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1dji n HIS 392 N 0.37 0.00 -2.64 1.20 8.25 0.64 -4.97 115.22 118.06 1dji n HIS 392 Ca 0.00 -0.63 -0.32 0.00 -0.26 0.00 0.00 57.72 56.51 1dji n HIS 392 Cb 0.00 -0.11 -0.04 0.00 1.12 0.00 0.00 29.99 30.96 1dji n HIS 392 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dji s SER 394 N -2.85 2.68 0.17 0.00 1.04 -1.26 -4.71 113.70 108.77 1dji s SER 394 Ca 0.57 1.17 -0.15 0.00 0.48 0.00 0.00 55.95 58.03 1dji s SER 394 Cb -0.10 -1.83 0.07 0.00 0.10 0.00 0.00 66.02 64.26 1dji s SER 394 CO 0.27 -3.09 1.79 -0.07 0.98 0.00 0.00 173.24 173.12 1dji h LEU 395 N -1.87 0.38 0.08 2.42 3.38 -1.92 0.11 115.31 117.88 1dji h LEU 395 Ca -0.54 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 1dji h LEU 395 Cb 1.33 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1dji h LEU 395 CO 0.58 0.27 -0.04 -0.08 0.09 0.00 0.00 178.44 179.26 1dji h GLU 396 N 0.49 -0.10 -0.00 1.13 4.57 -2.00 -2.00 114.58 116.67 1dji h GLU 396 Ca 0.18 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.33 1dji h GLU 396 Cb 0.05 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1dji h GLU 396 CO -0.10 -0.01 -0.17 1.96 -1.18 0.00 0.00 179.01 179.50 1dji h GLN 397 N -0.17 0.00 -0.41 1.92 4.20 -1.85 0.13 115.11 118.93 1dji h GLN 397 Ca -0.01 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1dji h GLN 397 Cb 0.14 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1dji h GLN 397 CO 0.02 0.18 0.08 1.96 -0.67 0.00 0.00 178.83 180.40 1dji h GLN 398 N 0.00 0.62 -0.22 1.46 4.20 -0.44 0.43 115.11 121.17 1dji h GLN 398 Ca -0.00 -0.11 -0.16 0.00 0.06 0.00 0.00 58.65 58.44 1dji h GLN 398 Cb 0.31 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1dji h GLN 398 CO 0.02 0.58 -0.52 0.00 -0.67 0.00 0.00 178.83 178.25 1dji h ARG 399 N 0.60 0.62 -0.78 1.46 3.08 -0.07 -1.82 114.38 117.48 1dji h ARG 399 Ca 0.14 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 59.77 1dji h ARG 399 Cb 0.26 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1dji h ARG 399 CO -0.00 0.99 0.34 0.28 -1.07 0.00 0.00 179.97 180.50 1dji h VAL 400 N 0.49 1.25 0.52 2.04 2.07 -0.13 -1.37 116.25 121.11 1dji h VAL 400 Ca 0.02 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1dji h VAL 400 Cb 1.06 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1dji h VAL 400 CO 0.10 0.31 -0.38 0.24 0.02 0.00 0.00 177.57 177.87 1dji h MET 401 N 1.12 -0.84 -0.85 1.57 2.86 -0.46 -0.70 114.93 117.62 1dji h MET 401 Ca 0.26 0.06 0.10 0.00 -2.06 0.00 0.00 59.70 58.06 1dji h MET 401 Cb 0.17 0.19 -0.06 0.00 0.06 0.00 0.00 31.60 31.96 1dji h MET 401 CO -0.03 -0.56 0.55 0.00 1.06 0.00 0.00 176.91 177.93 1dji h ALA 402 N -0.53 1.72 -0.18 6.32 0.00 -1.19 0.44 119.26 125.83 1dji h ALA 402 Ca -0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1dji h ALA 402 Cb 0.74 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1dji h ALA 402 CO 0.02 0.10 0.09 0.00 0.00 0.00 0.00 179.25 179.46 1dji h ARG 403 N 0.79 0.25 -0.60 0.00 3.08 -0.47 -1.44 114.38 115.99 1dji h ARG 403 Ca 0.40 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 1dji h ARG 403 Cb 0.47 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1dji h ARG 403 CO -0.17 0.27 0.36 0.45 -1.07 0.00 0.00 179.97 179.81 1dji h HIS 404 N 0.18 0.80 -0.08 3.04 3.86 -0.22 0.35 115.15 123.07 1dji h HIS 404 Ca 0.06 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1dji h HIS 404 Cb 0.09 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.26 1dji h HIS 404 CO -0.03 0.55 -0.13 -0.07 0.86 0.00 0.00 177.93 179.11 1dji h LEU 405 N 0.81 -0.38 0.09 2.43 3.38 -0.64 0.41 115.31 121.41 1dji h LEU 405 Ca 0.22 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1dji h LEU 405 Cb -0.01 0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1dji h LEU 405 CO -0.04 -0.17 -0.04 -0.09 0.09 0.00 0.00 178.44 178.19 1dji h ARG 406 N -0.17 -0.11 -0.24 1.13 2.43 -0.98 0.02 114.38 116.45 1dji h ARG 406 Ca 0.07 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1dji h ARG 406 Cb 0.28 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1dji h ARG 406 CO -0.18 0.11 0.12 0.00 -1.51 0.00 0.00 179.97 178.51 1dji h ALA 407 N 0.57 0.31 0.00 2.80 0.00 -0.07 -1.70 119.26 121.17 1dji h ALA 407 Ca -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1dji h ALA 407 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1dji h ALA 407 CO 0.02 -0.14 -0.00 0.82 0.00 0.00 0.00 179.25 179.95 1dji h ILE 408 N 0.27 1.76 0.00 0.00 2.04 -0.18 -3.35 117.51 118.04 1dji h ILE 408 Ca 0.08 -2.29 -0.11 0.00 1.00 0.00 0.00 64.86 63.55 1dji h ILE 408 Cb 0.10 3.31 -0.02 0.00 -0.74 0.00 0.00 36.82 39.48 1dji h ILE 408 CO -0.01 0.59 -0.50 -0.07 0.00 0.00 0.00 178.15 178.16 1dji h LEU 409 N -0.98 0.00 0.00 1.44 4.07 -1.11 -3.48 115.31 115.25 1dji h LEU 409 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1dji h LEU 409 Cb 0.97 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.71 1dji h LEU 409 CO 0.00 0.50 0.00 0.61 -1.08 0.00 0.00 178.44 178.47 1dji n GLY 410 N 0.06 3.31 0.08 0.83 0.00 -0.64 -1.37 105.19 107.46 1dji n GLY 410 Ca -0.01 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1dji n GLY 410 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dji n PRO 411 N 14.00 0.14 0.17 1.61 -0.04 -1.26 -2.54 135.00 147.08 1dji n PRO 411 Ca 0.00 0.28 0.02 0.00 -0.04 0.00 0.00 63.50 63.76 1dji n PRO 411 Cb 0.00 -1.73 0.31 0.00 -0.04 0.00 0.00 33.50 32.04 1dji n PRO 411 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1dji h ILE 412 N 0.00 1.27 -2.91 0.52 2.04 -1.51 -3.43 117.51 113.49 1dji h ILE 412 Ca 0.00 -1.55 -0.54 0.00 1.00 0.00 0.00 64.86 63.77 1dji h ILE 412 Cb 0.45 1.85 0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1dji h ILE 412 CO 0.00 0.44 0.82 -0.22 0.00 0.00 0.00 178.15 179.18 1dji s LEU 413 N -7.86 4.35 -0.49 1.44 2.96 -1.05 -1.04 118.68 116.97 1dji s LEU 413 Ca -0.02 2.28 -0.23 0.00 -0.22 0.00 0.00 54.13 55.94 1dji s LEU 413 Cb 0.13 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.29 1dji s LEU 413 CO 0.73 -0.72 0.83 -0.22 -1.32 0.00 0.00 176.35 175.65 1dji s LEU 414 N 1.87 4.26 -0.07 -0.68 2.96 -0.54 -4.85 118.68 121.62 1dji s LEU 414 Ca 0.66 -0.27 0.12 0.00 -0.22 0.00 0.00 54.13 54.42 1dji s LEU 414 Cb -0.35 -2.88 0.32 0.00 0.50 0.00 0.00 46.19 43.78 1dji s LEU 414 CO 0.29 -1.03 1.25 -0.90 -1.32 0.00 0.00 176.35 174.63 1dji n ASP 415 N 6.96 2.98 -3.66 3.68 5.75 -1.26 -4.67 116.55 126.33 1dji n ASP 415 Ca 0.01 -2.45 -0.14 0.00 -0.01 0.00 0.00 54.79 52.20 1dji n ASP 415 Cb 0.48 -0.31 -0.08 0.00 -1.03 0.00 0.00 41.12 40.18 1dji n ASP 415 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1dji s GLN 416 N -1.80 0.74 0.75 0.11 0.74 -1.26 -4.83 119.66 114.11 1dji s GLN 416 Ca 0.26 0.77 -0.16 0.00 0.05 0.00 0.00 55.36 56.29 1dji s GLN 416 Cb 0.19 0.36 -0.02 0.00 1.10 0.00 0.00 33.01 34.63 1dji s GLN 416 CO 0.09 -0.11 0.56 -2.30 -0.55 0.00 0.00 175.29 172.99 1dji n PRO 417 N 2.57 0.24 -3.40 1.67 -0.02 -1.26 -4.94 135.00 129.85 1dji n PRO 417 Ca -0.14 0.12 -0.33 0.00 -2.02 0.00 0.00 63.50 61.14 1dji n PRO 417 Cb 0.56 -1.88 -0.05 0.00 -0.02 0.00 0.00 33.50 32.11 1dji n PRO 417 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1dji s LEU 418 N -0.66 4.20 0.20 2.45 1.43 -1.26 -5.03 118.68 120.00 1dji s LEU 418 Ca 0.65 0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 54.40 1dji s LEU 418 Cb -0.33 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.20 1dji s LEU 418 CO 0.58 -0.04 1.23 -0.62 0.23 0.00 0.00 176.35 177.73 1dji s ASP 419 N -2.23 7.03 0.00 2.29 2.15 -1.26 -2.80 116.67 121.85 1dji s ASP 419 Ca 0.46 2.30 0.00 0.00 0.43 0.00 0.00 52.55 55.73 1dji s ASP 419 Cb -0.12 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 1dji s ASP 419 CO 0.21 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 1dji n GLY 420 N 2.15 3.23 3.49 2.66 0.00 -1.26 -5.00 105.19 110.46 1dji n GLY 420 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1dji n GLY 420 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dji s VAL 421 N -2.66 4.90 0.00 1.61 1.01 -1.12 -4.81 120.40 119.33 1dji s VAL 421 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1dji s VAL 421 Cb 0.00 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1dji s VAL 421 CO 0.00 -0.60 0.00 0.35 0.00 0.00 0.00 175.10 174.85 1dji n THR 422 N 5.70 0.00 0.61 3.92 -2.24 -1.26 -4.72 114.28 116.29 1dji n THR 422 Ca -0.04 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.81 1dji n THR 422 Cb 0.47 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.42 1dji n THR 422 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1dji n THR 423 N -1.08 0.00 -4.00 4.28 -2.24 -1.26 -5.03 114.28 104.95 1dji n THR 423 Ca 0.00 -0.37 -0.10 0.00 -2.27 0.00 0.00 64.05 61.30 1dji n THR 423 Cb 0.15 1.18 -0.04 0.00 -2.10 0.00 0.00 70.33 69.52 1dji n THR 423 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1dji s SER 424 N -1.64 0.11 0.67 3.42 0.01 -1.26 -4.95 113.70 110.07 1dji s SER 424 Ca 0.12 -1.06 -0.14 0.00 1.31 0.00 0.00 55.95 56.19 1dji s SER 424 Cb 0.11 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.97 1dji s SER 424 CO 0.33 -1.21 1.09 -0.76 0.41 0.00 0.00 173.24 173.09 1dji s LEU 425 N -3.07 3.30 1.22 2.44 1.43 -1.26 -4.93 118.68 117.82 1dji s LEU 425 Ca 0.24 1.86 -0.16 0.00 -1.03 0.00 0.00 54.13 55.04 1dji s LEU 425 Cb -0.01 -4.53 0.30 0.00 0.03 0.00 0.00 46.19 41.98 1dji s LEU 425 CO 0.11 -1.58 1.01 -2.84 0.23 0.00 0.00 176.35 173.28 1dji s PRO 426 N -4.41 -1.39 0.32 1.29 0.02 -1.26 -4.32 135.00 125.25 1dji s PRO 426 Ca 0.64 0.56 0.07 0.00 0.02 0.00 0.00 61.00 62.28 1dji s PRO 426 Cb -0.18 -1.52 -0.02 0.00 0.02 0.00 0.00 34.50 32.80 1dji s PRO 426 CO 0.46 -3.96 0.40 -1.54 -0.33 0.00 0.00 177.00 172.03 1dji s SER 427 N -2.83 5.85 0.26 2.53 1.04 -1.25 -0.54 113.70 118.76 1dji s SER 427 Ca 0.68 -0.23 -0.05 0.00 0.48 0.00 0.00 55.95 56.84 1dji s SER 427 Cb -0.21 -1.26 0.31 0.00 0.10 0.00 0.00 66.02 64.95 1dji s SER 427 CO 0.62 -0.35 1.89 -0.65 0.98 0.00 0.00 173.24 175.73 1dji h PRO 428 N 1.03 1.16 -0.24 4.02 0.11 -1.66 -1.62 132.00 134.80 1dji h PRO 428 Ca -0.46 -0.12 0.01 0.00 0.11 0.00 0.00 66.00 65.53 1dji h PRO 428 Cb 1.25 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1dji h PRO 428 CO 0.55 0.84 0.14 0.93 -0.21 0.00 0.00 178.00 180.26 1dji h GLU 429 N 1.17 0.29 0.00 1.05 4.39 -1.69 -1.36 114.58 118.42 1dji h GLU 429 Ca 0.30 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 1dji h GLU 429 Cb 0.01 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1dji h GLU 429 CO -0.05 0.19 -0.03 1.96 -1.16 0.00 0.00 179.01 179.92 1dji h GLN 430 N 0.29 0.00 -0.70 2.33 4.20 -1.66 -2.16 115.11 117.42 1dji h GLN 430 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1dji h GLN 430 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1dji h GLN 430 CO -0.04 0.03 0.00 1.28 -0.67 0.00 0.00 178.83 179.43 1dji n LEU 431 N -4.26 3.93 -4.60 1.46 4.77 -0.67 -4.94 117.00 112.69 1dji n LEU 431 Ca -0.03 -2.03 -0.51 0.00 -0.03 0.00 0.00 56.01 53.41 1dji n LEU 431 Cb 0.11 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.67 1dji n LEU 431 CO 0.32 0.96 0.95 0.29 -1.33 0.00 0.00 177.39 178.58 1dji n LYS 432 N 1.52 1.31 -1.01 3.23 5.02 -0.58 -0.91 118.16 126.75 1dji n LYS 432 Ca 0.24 0.47 -0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1dji n LYS 432 Cb 0.62 -2.14 -0.00 0.00 -0.02 0.00 0.00 35.03 33.50 1dji n LYS 432 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dji n GLY 433 N 2.68 0.43 3.74 0.72 0.00 -0.24 -4.92 105.19 107.59 1dji n GLY 433 Ca 0.18 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1dji n GLY 433 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dji s LYS 434 N -0.56 2.69 -0.19 1.61 -0.14 -0.08 -4.72 119.74 118.35 1dji s LYS 434 Ca 0.00 -0.89 -0.00 0.00 -1.36 0.00 0.00 55.97 53.72 1dji s LYS 434 Cb 0.00 -2.56 0.01 0.00 -1.68 0.00 0.00 37.83 33.59 1dji s LYS 434 CO 0.00 0.50 -0.15 0.42 -0.76 0.00 0.00 175.35 175.36 1dji s ILE 435 N -1.58 2.49 0.09 2.17 1.01 -0.21 -1.94 121.20 123.23 1dji s ILE 435 Ca 0.29 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 60.22 1dji s ILE 435 Cb -0.11 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1dji s ILE 435 CO 0.21 0.50 -0.16 -1.48 0.00 0.00 0.00 174.94 174.02 1dji s LEU 436 N 1.30 2.79 0.12 2.97 2.34 0.39 -1.47 118.68 127.12 1dji s LEU 436 Ca 0.04 -0.47 -0.12 0.00 0.06 0.00 0.00 54.13 53.64 1dji s LEU 436 Cb -0.14 -1.62 -0.06 0.00 -0.56 0.00 0.00 46.19 43.81 1dji s LEU 436 CO -0.09 0.20 0.48 -0.76 -1.06 0.00 0.00 176.35 175.12 1dji s LEU 437 N -1.98 4.34 -0.10 1.48 1.43 -1.26 -0.91 118.68 121.69 1dji s LEU 437 Ca 0.18 0.95 0.02 0.00 -1.03 0.00 0.00 54.13 54.25 1dji s LEU 437 Cb -0.11 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 42.97 1dji s LEU 437 CO 0.10 0.13 -0.17 -0.75 0.23 0.00 0.00 176.35 175.89 1dji s LYS 438 N -1.96 2.33 -0.05 1.70 2.36 0.27 -4.22 119.74 120.18 1dji s LYS 438 Ca 0.36 -0.62 -0.17 0.00 -2.55 0.00 0.00 55.97 52.99 1dji s LYS 438 Cb -0.14 -1.89 0.06 0.00 -1.05 0.00 0.00 37.83 34.80 1dji s LYS 438 CO 0.19 0.03 0.78 0.41 1.55 0.00 0.00 175.35 178.30 1dji n GLY 439 N 3.92 0.23 3.75 5.54 0.00 -0.87 -0.19 105.19 117.57 1dji n GLY 439 Ca -0.20 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 1dji n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dji s LYS 440 N -2.00 4.75 -0.00 1.61 1.02 -1.26 0.21 119.74 124.06 1dji s LYS 440 Ca 0.19 1.58 0.07 0.00 0.02 0.00 0.00 55.97 57.82 1dji s LYS 440 Cb -0.00 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 1dji s LYS 440 CO -0.02 0.35 -0.21 0.21 -0.92 0.00 0.00 175.35 174.76 1dji s LYS 441 N -0.93 2.16 0.22 1.68 2.20 -1.26 -4.74 119.74 119.06 1dji s LYS 441 Ca 0.44 -0.91 -0.32 0.00 -0.36 0.00 0.00 55.97 54.82 1dji s LYS 441 Cb -0.27 -2.16 -0.13 0.00 -1.51 0.00 0.00 37.83 33.76 1dji s LYS 441 CO 0.34 0.57 1.57 1.28 -0.36 0.00 0.00 175.35 178.74 1dji n LEU 442 N 2.09 3.55 -4.47 5.43 4.77 -1.26 -4.83 117.00 122.28 1dji n LEU 442 Ca -0.16 1.11 -0.47 0.00 -0.03 0.00 0.00 56.01 56.46 1dji n LEU 442 Cb 0.52 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.09 1dji n LEU 442 CO 0.24 -0.15 0.21 0.61 -1.33 0.00 0.00 177.39 176.97 1dji n GLY 443 N 2.91 -1.20 0.00 -0.72 0.00 -1.26 -5.01 105.19 99.92 1dji n GLY 443 Ca 0.13 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1dji n GLY 443 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dji n GLY 444 N 1.71 2.24 2.46 -0.02 0.00 -1.26 -5.15 105.19 105.17 1dji n GLY 444 Ca 0.15 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1dji n GLY 444 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dji n LEU 445 N 0.00 0.00 0.00 0.99 4.77 -1.26 -5.30 117.00 116.20 1dji n LEU 445 Ca 0.00 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1dji n LEU 445 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1dji n LEU 445 CO 0.00 -0.35 0.00 0.47 -1.33 0.00 0.00 177.39 176.18 1dji n ASP 484 N 2.21 0.00 0.25 -1.43 8.00 -1.26 -5.36 116.55 118.96 1dji n ASP 484 Ca 0.00 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.65 1dji n ASP 484 Cb 0.00 0.00 0.68 0.00 -0.02 0.00 0.00 41.12 41.78 1dji n ASP 484 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1dji h LYS 485 N 0.00 0.00 -0.01 -1.24 2.10 -2.02 2.90 116.57 118.30 1dji h LYS 485 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1dji h LYS 485 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1dji h LYS 485 CO 0.00 0.00 -0.22 1.28 -2.00 0.00 0.00 179.45 178.51 1dji n LEU 486 N -3.04 1.12 -0.04 7.07 4.77 -1.26 -4.21 117.00 121.42 1dji n LEU 486 Ca 0.02 -0.31 -0.05 0.00 -0.03 0.00 0.00 56.01 55.63 1dji n LEU 486 Cb 0.57 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1dji n LEU 486 CO 0.15 0.21 -0.76 0.29 -1.33 0.00 0.00 177.39 175.95 1dji n LYS 487 N -0.50 0.25 -4.31 3.23 5.02 0.93 -4.95 118.16 117.83 1dji n LYS 487 Ca 0.13 0.04 -0.31 0.00 -2.02 0.00 0.00 58.31 56.15 1dji n LYS 487 Cb 0.35 -1.16 -0.16 0.00 -0.02 0.00 0.00 35.03 34.04 1dji n LYS 487 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1dji s LEU 488 N -5.44 1.95 0.51 -0.35 2.96 0.13 -4.81 118.68 113.62 1dji s LEU 488 Ca -0.10 -0.56 -0.19 0.00 -0.22 0.00 0.00 54.13 53.06 1dji s LEU 488 Cb 0.03 -1.33 -0.07 0.00 0.50 0.00 0.00 46.19 45.31 1dji s LEU 488 CO 0.18 0.01 1.03 0.68 -1.32 0.00 0.00 176.35 176.94 1dji s VAL 489 N 1.15 3.90 0.25 1.68 -7.23 -1.26 -4.53 120.40 114.35 1dji s VAL 489 Ca -0.00 1.09 -0.01 0.00 -1.81 0.00 0.00 61.98 61.25 1dji s VAL 489 Cb -0.14 -3.46 0.05 0.00 0.56 0.00 0.00 36.38 33.38 1dji s VAL 489 CO -0.07 -0.34 1.67 -0.65 -0.31 0.00 0.00 175.10 175.39 1dji h PRO 490 N 1.27 0.61 -0.89 4.82 0.11 -1.97 -1.07 132.00 134.89 1dji h PRO 490 Ca -0.49 -0.24 0.21 0.00 0.11 0.00 0.00 66.00 65.59 1dji h PRO 490 Cb 1.21 -0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.17 1dji h PRO 490 CO 0.59 0.81 0.40 0.93 -0.21 0.00 0.00 178.00 180.52 1dji h GLU 491 N 0.54 0.42 0.00 1.05 3.07 -1.95 0.47 114.58 118.17 1dji h GLU 491 Ca 0.08 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.82 1dji h GLU 491 Cb 0.71 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 1dji h GLU 491 CO 0.05 0.28 -0.57 -0.07 -1.40 0.00 0.00 179.01 177.31 1dji h LEU 492 N 0.43 0.00 -1.33 1.33 3.38 -1.82 -3.36 115.31 113.94 1dji h LEU 492 Ca 0.54 -0.54 0.25 0.00 0.09 0.00 0.00 57.88 58.22 1dji h LEU 492 Cb 1.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 1dji h LEU 492 CO -0.50 1.10 0.65 -1.28 0.09 0.00 0.00 178.44 178.49 1dji h SER 493 N -1.00 0.49 0.88 -0.43 0.87 -0.76 0.16 113.55 113.76 1dji h SER 493 Ca -0.14 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1dji h SER 493 Cb 0.92 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1dji h SER 493 CO -0.08 0.12 0.00 0.47 -0.53 0.00 0.00 176.83 176.81 1dji n ASP 494 N -4.63 0.44 -0.01 6.23 8.00 0.16 -2.79 116.55 123.95 1dji n ASP 494 Ca 0.24 0.58 0.13 0.00 0.71 0.00 0.00 54.79 56.45 1dji n ASP 494 Cb 0.81 -0.68 0.43 0.00 -0.02 0.00 0.00 41.12 41.66 1dji n ASP 494 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1dji n MET 495 N -1.95 0.05 -2.93 -1.24 2.81 0.55 -4.73 117.12 109.68 1dji n MET 495 Ca 0.04 -0.02 -0.43 0.00 -1.81 0.00 0.00 57.70 55.48 1dji n MET 495 Cb 0.28 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.24 1dji n MET 495 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1dji s ILE 496 N -2.96 4.63 -0.06 2.02 -1.09 -1.12 -4.49 121.20 118.13 1dji s ILE 496 Ca 0.14 0.64 -0.10 0.00 -2.23 0.00 0.00 60.65 59.10 1dji s ILE 496 Cb 0.18 -4.32 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 1dji s ILE 496 CO 0.61 -0.66 -0.19 -0.38 -1.23 0.00 0.00 174.94 173.09 1dji n ILE 497 N 6.10 1.29 0.73 2.92 2.08 -1.26 -4.86 119.36 126.36 1dji n ILE 497 Ca 0.03 0.25 0.08 0.00 0.56 0.00 0.00 62.75 63.68 1dji n ILE 497 Cb 0.48 -1.98 0.01 0.00 -0.75 0.00 0.00 39.64 37.40 1dji n ILE 497 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1dji n TYR 498 N -3.95 0.00 -3.35 1.39 4.01 -1.26 -4.75 117.16 109.24 1dji n TYR 498 Ca -0.08 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.41 1dji n TYR 498 Cb 0.28 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.23 1dji n TYR 498 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1dji s LYS 500 N -1.54 4.24 0.16 0.00 2.20 -0.16 -2.04 119.74 122.60 1dji s LYS 500 Ca 0.36 1.10 -0.31 0.00 -0.36 0.00 0.00 55.97 56.76 1dji s LYS 500 Cb 0.13 -3.62 -0.11 0.00 -1.51 0.00 0.00 37.83 32.72 1dji s LYS 500 CO -0.09 -0.50 1.76 0.45 -0.36 0.00 0.00 175.35 176.61 1dji s SER 501 N 1.25 6.42 0.03 1.43 0.15 0.55 -1.53 113.70 122.00 1dji s SER 501 Ca 0.39 2.79 -0.02 0.00 0.70 0.00 0.00 55.95 59.81 1dji s SER 501 Cb -0.16 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.55 1dji s SER 501 CO 0.08 -0.97 0.02 -0.69 1.20 0.00 0.00 173.24 172.88 1dji s VAL 502 N 1.90 0.14 0.09 4.45 1.01 -0.79 -4.64 120.40 122.56 1dji s VAL 502 Ca 0.77 -1.19 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 1dji s VAL 502 Cb -0.47 -0.79 -0.07 0.00 0.00 0.00 0.00 36.38 35.05 1dji s VAL 502 CO 0.34 -0.66 0.60 -1.00 0.00 0.00 0.00 175.10 174.38 1dji s HIS 503 N -2.45 3.82 -0.05 5.22 3.76 -1.26 -4.19 115.29 120.13 1dji s HIS 503 Ca -0.07 1.33 -0.31 0.00 -0.15 0.00 0.00 55.06 55.87 1dji s HIS 503 Cb -0.02 -2.54 -0.09 0.00 1.11 0.00 0.00 32.58 31.04 1dji s HIS 503 CO -0.04 0.58 2.02 0.34 -0.85 0.00 0.00 174.74 176.79 1dji n PHE 504 N 1.70 2.33 0.00 1.40 7.35 -1.26 -4.88 117.46 124.11 1dji n PHE 504 Ca -0.10 -0.24 0.00 0.00 -0.76 0.00 0.00 57.45 56.35 1dji n PHE 504 Cb 0.50 -2.76 0.00 0.00 0.35 0.00 0.00 39.48 37.58 1dji n PHE 504 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1dji n GLY 505 N 4.87 0.40 3.87 7.13 0.00 -1.26 -5.08 105.19 115.12 1dji n GLY 505 Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1dji n GLY 505 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dji s GLY 506 N -1.59 -0.28 -0.12 -0.02 0.00 -1.26 -5.08 107.32 98.96 1dji s GLY 506 Ca 0.00 0.38 -0.21 0.00 0.00 0.00 0.00 44.72 44.89 1dji s GLY 506 CO 0.00 4.31 0.62 -1.36 0.00 0.00 0.00 173.10 176.68 1dji s PHE 507 N -2.05 3.50 0.00 1.90 0.08 -1.26 -3.43 117.98 116.72 1dji s PHE 507 Ca 0.26 1.06 0.00 0.00 0.12 0.00 0.00 56.93 58.37 1dji s PHE 507 Cb 0.02 -2.74 0.00 0.00 -0.57 0.00 0.00 43.02 39.73 1dji s PHE 507 CO -0.03 0.02 0.00 0.45 -0.10 0.00 0.00 175.22 175.56 1dji n SER 508 N 4.16 -0.59 0.00 1.36 2.88 -1.26 -4.68 113.62 115.50 1dji n SER 508 Ca -0.03 -0.53 -0.01 0.00 -1.33 0.00 0.00 58.87 56.97 1dji n SER 508 Cb 0.51 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1dji n SER 508 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1dji h SER 509 N -0.59 -0.03 -0.89 -3.46 0.02 -1.97 -3.44 113.55 103.19 1dji h SER 509 Ca 0.00 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.19 1dji h SER 509 Cb 0.00 0.01 0.02 0.00 0.14 0.00 0.00 62.40 62.57 1dji h SER 509 CO 0.00 0.10 0.45 -0.81 -1.14 0.00 0.00 176.83 175.43 1dji n PRO 510 N -2.77 0.00 -3.84 3.45 -0.04 -1.26 -5.19 135.00 125.35 1dji n PRO 510 Ca -0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1dji n PRO 510 Cb 0.01 -1.34 0.02 0.00 -0.04 0.00 0.00 33.50 32.16 1dji n PRO 510 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1dji s GLY 511 N 1.90 0.26 -0.07 0.55 0.00 -1.26 -5.03 107.32 103.67 1dji s GLY 511 Ca 0.90 -0.57 0.04 0.00 0.00 0.00 0.00 44.72 45.08 1dji s GLY 511 CO 0.67 0.74 0.89 -1.30 0.00 0.00 0.00 173.10 174.09 1dji n THR 512 N -0.59 0.85 0.00 0.90 -2.24 -1.26 -4.35 114.28 107.59 1dji n THR 512 Ca -0.06 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1dji n THR 512 Cb 0.60 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1dji n THR 512 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1dji n SER 513 N 0.18 0.00 -4.53 3.42 2.88 -1.26 -4.79 113.62 109.51 1dji n SER 513 Ca 0.09 0.19 -0.38 0.00 -1.33 0.00 0.00 58.87 57.43 1dji n SER 513 Cb 0.54 -0.25 -0.08 0.00 -0.75 0.00 0.00 64.21 63.68 1dji n SER 513 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dji n GLY 514 N 2.19 -0.07 0.00 0.46 0.00 -1.22 -4.72 105.19 101.82 1dji n GLY 514 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1dji n GLY 514 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dji n GLN 515 N 8.78 0.00 -2.21 1.61 10.64 -1.26 -4.80 117.38 130.14 1dji n GLN 515 Ca 0.49 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 55.35 1dji n GLN 515 Cb 0.33 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.71 1dji n GLN 515 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1dji s ALA 516 N 0.00 3.16 0.56 2.61 0.00 -1.26 -4.90 121.76 121.93 1dji s ALA 516 Ca 0.00 -0.09 0.26 0.00 0.00 0.00 0.00 51.96 52.13 1dji s ALA 516 Cb 0.00 -2.98 1.51 0.00 0.00 0.00 0.00 23.12 21.65 1dji s ALA 516 CO 0.00 -0.46 2.04 0.27 0.00 0.00 0.00 175.76 177.61 1dji h PHE 517 N 0.23 0.00 -0.46 0.00 -5.15 -1.91 0.31 116.94 109.95 1dji h PHE 517 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1dji h PHE 517 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.36 1dji h PHE 517 CO 0.64 0.00 0.00 2.48 -2.00 0.00 0.00 178.31 179.43 1dji n TYR 518 N -4.05 1.46 -4.73 6.09 0.18 -1.26 -4.66 117.16 110.18 1dji n TYR 518 Ca 0.05 -0.52 -0.33 0.00 1.88 0.00 0.00 57.90 58.98 1dji n TYR 518 Cb 0.46 -0.35 -0.14 0.00 -0.38 0.00 0.00 39.34 38.93 1dji n TYR 518 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1dji s GLU 519 N -2.16 3.38 -0.18 -3.48 2.02 0.11 -0.98 118.70 117.40 1dji s GLU 519 Ca 0.41 -0.66 -0.01 0.00 0.02 0.00 0.00 54.97 54.73 1dji s GLU 519 Cb 0.30 -2.66 -0.00 0.00 0.10 0.00 0.00 34.13 31.87 1dji s GLU 519 CO 0.14 0.25 -0.12 1.41 0.02 0.00 0.00 175.26 176.96 1dji s MET 520 N 0.28 3.23 0.04 1.61 1.75 -0.58 -4.48 119.30 121.15 1dji s MET 520 Ca -0.09 -0.72 -0.00 0.00 -1.25 0.00 0.00 55.69 53.63 1dji s MET 520 Cb -0.15 -2.74 -0.04 0.00 2.84 0.00 0.00 34.83 34.73 1dji s MET 520 CO 0.05 -0.09 0.18 0.00 -0.65 0.00 0.00 175.02 174.51 1dji s ALA 521 N 1.10 3.91 0.14 4.11 0.00 -1.24 -1.88 121.76 127.90 1dji s ALA 521 Ca 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.18 1dji s ALA 521 Cb -0.14 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1dji s ALA 521 CO -0.04 0.79 -0.06 -1.12 0.00 0.00 0.00 175.76 175.33 1dji s SER 522 N -2.33 4.53 -0.02 0.00 0.01 -1.26 -1.43 113.70 113.19 1dji s SER 522 Ca 0.32 -0.41 -0.02 0.00 1.31 0.00 0.00 55.95 57.15 1dji s SER 522 Cb -0.13 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 65.21 1dji s SER 522 CO 0.24 0.14 0.05 -0.36 0.41 0.00 0.00 173.24 173.72 1dji s PHE 523 N -1.46 -0.05 0.67 2.43 0.40 0.92 -4.75 117.98 116.14 1dji s PHE 523 Ca 0.24 0.13 -0.13 0.00 -0.60 0.00 0.00 56.93 56.58 1dji s PHE 523 Cb -0.10 0.02 -0.00 0.00 0.51 0.00 0.00 43.02 43.45 1dji s PHE 523 CO 0.16 -0.03 1.07 -1.54 0.70 0.00 0.00 175.22 175.57 1dji s SER 524 N 0.01 5.38 0.24 1.36 1.04 -1.26 -1.48 113.70 118.99 1dji s SER 524 Ca -0.00 1.73 -0.07 0.00 0.48 0.00 0.00 55.95 58.09 1dji s SER 524 Cb -0.00 -2.51 0.43 0.00 0.10 0.00 0.00 66.02 64.03 1dji s SER 524 CO 0.00 -1.44 1.66 -0.08 0.98 0.00 0.00 173.24 174.36 1dji h GLU 525 N -0.37 0.16 0.09 4.02 4.81 -1.09 0.05 114.58 122.24 1dji h GLU 525 Ca -0.45 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1dji h GLU 525 Cb 1.22 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1dji h GLU 525 CO 0.56 0.10 -0.04 0.77 -0.73 0.00 0.00 179.01 179.67 1dji h SER 526 N 0.16 -0.10 -0.53 1.04 0.02 -1.91 -1.81 113.55 110.42 1dji h SER 526 Ca 0.40 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.30 1dji h SER 526 Cb 0.69 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1dji h SER 526 CO -0.59 -0.07 0.11 -0.09 -1.14 0.00 0.00 176.83 175.06 1dji h ARG 527 N -0.12 0.87 -0.35 3.45 2.43 -1.73 -2.45 114.38 116.48 1dji h ARG 527 Ca -0.01 -0.22 0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1dji h ARG 527 Cb 0.09 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1dji h ARG 527 CO 0.02 0.83 0.15 0.00 -1.51 0.00 0.00 179.97 179.46 1dji h ALA 528 N 1.00 0.42 -0.68 2.80 0.00 -0.89 0.14 119.26 122.04 1dji h ALA 528 Ca 0.17 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1dji h ALA 528 Cb 0.36 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1dji h ALA 528 CO 0.01 -0.23 0.39 -0.07 0.00 0.00 0.00 179.25 179.35 1dji h LEU 529 N 0.32 0.60 -0.19 0.00 3.38 -1.17 0.32 115.31 118.58 1dji h LEU 529 Ca 0.15 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1dji h LEU 529 Cb 0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1dji h LEU 529 CO -0.13 0.40 0.11 -0.09 0.09 0.00 0.00 178.44 178.82 1dji h ARG 530 N 0.74 0.26 -0.61 1.13 2.43 -0.92 0.45 114.38 117.85 1dji h ARG 530 Ca 0.30 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1dji h ARG 530 Cb 0.14 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1dji h ARG 530 CO -0.16 0.23 0.29 -0.07 -1.51 0.00 0.00 179.97 178.75 1dji h LEU 531 N 0.22 0.78 -0.57 3.80 3.38 0.02 0.16 115.31 123.11 1dji h LEU 531 Ca 0.07 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1dji h LEU 531 Cb 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1dji h LEU 531 CO -0.01 0.67 -0.69 -0.07 0.09 0.00 0.00 178.44 178.43 1dji h LEU 532 N 0.87 0.19 -0.19 1.67 3.38 0.33 0.65 115.31 122.21 1dji h LEU 532 Ca 0.21 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1dji h LEU 532 Cb 0.10 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1dji h LEU 532 CO -0.03 0.82 -0.22 -0.61 0.09 0.00 0.00 178.44 178.49 1dji h GLN 533 N 0.11 0.48 0.11 1.13 5.75 0.51 -3.04 115.11 120.16 1dji h GLN 533 Ca -0.02 -0.27 -0.36 0.00 -0.15 0.00 0.00 58.65 57.85 1dji h GLN 533 Cb 1.22 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.77 1dji h GLN 533 CO 0.10 0.85 -2.02 0.39 -2.65 0.00 0.00 178.83 175.50 1dji n GLU 534 N -4.43 0.74 -2.52 1.69 1.02 0.52 -4.61 120.64 113.04 1dji n GLU 534 Ca -0.06 0.25 -0.17 0.00 -0.02 0.00 0.00 57.16 57.16 1dji n GLU 534 Cb 0.42 -1.70 0.02 0.00 -0.02 0.00 0.00 31.44 30.16 1dji n GLU 534 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1dji n SER 535 N -3.43 3.26 -0.26 1.62 7.64 0.23 -4.94 113.62 117.73 1dji n SER 535 Ca -0.32 -3.19 -0.11 0.00 1.01 0.00 0.00 58.87 56.26 1dji n SER 535 Cb 1.04 -0.47 -0.07 0.00 -1.01 0.00 0.00 64.21 63.70 1dji n SER 535 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1dji h GLY 536 N 2.68 -0.73 1.40 0.23 0.00 -1.42 0.11 103.07 105.33 1dji h GLY 536 Ca 0.12 0.69 -0.03 0.00 0.00 0.00 0.00 47.33 48.11 1dji h GLY 536 CO 0.65 -0.08 0.21 -0.57 0.00 0.00 0.00 176.54 176.75 1dji h ASN 537 N -0.20 0.71 -0.42 0.19 -0.73 -1.89 0.82 115.58 114.05 1dji h ASN 537 Ca 0.15 -0.09 -0.03 0.00 1.87 0.00 0.00 56.30 58.20 1dji h ASN 537 Cb 0.53 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.92 1dji h ASN 537 CO -0.76 0.64 0.14 1.23 -0.37 0.00 0.00 177.43 178.31 1dji h GLY 538 N 0.90 0.71 0.87 1.57 0.00 -1.45 0.12 103.07 105.78 1dji h GLY 538 Ca 0.18 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1dji h GLY 538 CO -0.02 0.39 0.03 -2.75 0.00 0.00 0.00 176.54 174.20 1dji h PHE 539 N 0.54 0.12 -0.09 5.60 3.04 -0.28 0.32 116.94 126.19 1dji h PHE 539 Ca 0.14 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.12 1dji h PHE 539 Cb 0.26 -0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.67 1dji h PHE 539 CO 0.01 0.22 -0.29 0.28 -2.02 0.00 0.00 178.31 176.51 1dji h VAL 540 N -0.01 0.34 -0.88 1.41 2.07 -0.58 0.52 116.25 119.12 1dji h VAL 540 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1dji h VAL 540 Cb 0.15 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1dji h VAL 540 CO -0.00 0.00 0.56 0.03 0.02 0.00 0.00 177.57 178.18 1dji h ARG 541 N -0.39 1.17 -0.76 1.57 3.08 -0.64 -1.34 114.38 117.08 1dji h ARG 541 Ca 0.09 -0.09 0.09 0.00 0.07 0.00 0.00 59.98 60.14 1dji h ARG 541 Cb 0.52 -0.26 -0.07 0.00 0.08 0.00 0.00 29.97 30.24 1dji h ARG 541 CO -0.31 0.79 0.41 1.25 -1.07 0.00 0.00 179.97 181.05 1dji h HIS 542 N 1.20 0.75 0.00 3.04 2.76 0.66 -2.32 115.15 121.24 1dji h HIS 542 Ca 0.32 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 1dji h HIS 542 Cb -0.10 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 28.63 1dji h HIS 542 CO -0.01 0.30 0.00 0.09 -1.30 0.00 0.00 177.93 177.02 1dji n ASN 543 N -4.79 0.00 -0.07 3.26 3.02 0.08 -1.74 115.26 115.02 1dji n ASN 543 Ca 0.12 0.45 -0.11 0.00 -0.03 0.00 0.00 54.58 55.01 1dji n ASN 543 Cb 0.26 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 38.91 1dji n ASN 543 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1dji h VAL 544 N 0.00 1.18 -0.00 2.41 2.07 -1.15 -3.30 116.25 117.46 1dji h VAL 544 Ca 0.00 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1dji h VAL 544 Cb 0.30 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1dji h VAL 544 CO 0.00 0.18 -0.41 -1.54 0.02 0.00 0.00 177.57 175.82 1dji n SER 545 N -4.79 0.79 -4.34 0.57 3.41 -1.21 -4.46 113.62 103.58 1dji n SER 545 Ca -0.03 -0.89 -0.31 0.00 -0.26 0.00 0.00 58.87 57.37 1dji n SER 545 Cb 0.14 0.81 -0.15 0.00 -0.26 0.00 0.00 64.21 64.75 1dji n SER 545 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dji s LEU 547 N -0.57 4.33 -0.03 0.00 1.43 -1.26 -4.23 118.68 118.35 1dji s LEU 547 Ca 0.09 1.46 0.07 0.00 -1.03 0.00 0.00 54.13 54.72 1dji s LEU 547 Cb -0.11 -3.38 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 1dji s LEU 547 CO -0.00 -0.23 -0.26 -0.44 0.23 0.00 0.00 176.35 175.65 1dji s SER 548 N 0.95 3.05 -0.13 2.29 0.01 -1.26 -3.73 113.70 114.88 1dji s SER 548 Ca 0.46 -0.48 -0.02 0.00 1.31 0.00 0.00 55.95 57.21 1dji s SER 548 Cb -0.19 -0.52 -0.03 0.00 0.21 0.00 0.00 66.02 65.49 1dji s SER 548 CO 0.23 0.29 -0.05 -0.60 0.41 0.00 0.00 173.24 173.52 1dji s ARG 549 N -0.45 3.38 0.01 12.44 3.52 -0.52 -1.40 118.95 135.93 1dji s ARG 549 Ca 0.05 -0.54 0.08 0.00 -0.13 0.00 0.00 55.73 55.20 1dji s ARG 549 Cb -0.11 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.45 1dji s ARG 549 CO 0.01 0.37 -0.24 0.42 -0.81 0.00 0.00 175.30 175.05 1dji s ILE 550 N -0.00 2.28 0.05 4.11 -1.09 0.63 -0.05 121.20 127.13 1dji s ILE 550 Ca 0.00 -1.18 0.01 0.00 -2.23 0.00 0.00 60.65 57.25 1dji s ILE 550 Cb -0.13 -1.86 -0.03 0.00 -1.58 0.00 0.00 42.46 38.86 1dji s ILE 550 CO 0.03 0.47 -0.05 -0.72 -1.23 0.00 0.00 174.94 173.44 1dji s TYR 551 N -0.73 0.60 0.43 3.97 -0.85 -0.55 -0.88 117.35 119.34 1dji s TYR 551 Ca 0.11 -0.76 -0.25 0.00 -0.52 0.00 0.00 57.07 55.66 1dji s TYR 551 Cb -0.10 -0.38 -0.09 0.00 0.38 0.00 0.00 41.96 41.76 1dji s TYR 551 CO 0.01 -0.20 1.27 -2.30 -1.52 0.00 0.00 175.55 172.82 1dji n PRO 552 N 0.76 1.92 -1.65 -3.49 -0.02 -1.26 -0.55 135.00 130.71 1dji n PRO 552 Ca -0.18 0.68 -0.38 0.00 -2.02 0.00 0.00 63.50 61.60 1dji n PRO 552 Cb 0.58 -2.39 0.05 0.00 -0.02 0.00 0.00 33.50 31.72 1dji n PRO 552 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dji n ALA 553 N -0.26 0.53 -0.04 3.55 0.00 -1.26 -4.65 120.51 118.38 1dji n ALA 553 Ca 0.07 0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.69 1dji n ALA 553 Cb 0.40 -2.18 0.58 0.00 0.00 0.00 0.00 19.45 18.25 1dji n ALA 553 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1dji h GLY 554 N 0.66 0.36 1.78 0.00 0.00 -2.02 -1.32 103.07 102.53 1dji h GLY 554 Ca -0.49 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1dji h GLY 554 CO 0.52 0.05 0.00 -2.67 0.00 0.00 0.00 176.54 174.44 1dji n TRP 555 N -4.44 0.00 -1.26 5.60 4.27 -1.26 -3.92 117.44 116.42 1dji n TRP 555 Ca 0.10 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.49 1dji n TRP 555 Cb 0.46 -0.39 -0.11 0.00 -1.36 0.00 0.00 31.31 29.91 1dji n TRP 555 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1dji n ARG 556 N -1.39 2.47 0.15 -2.67 1.74 -0.50 -4.57 116.66 111.89 1dji n ARG 556 Ca 0.05 -1.73 0.11 0.00 -0.77 0.00 0.00 57.85 55.51 1dji n ARG 556 Cb 0.14 -2.17 0.54 0.00 -1.02 0.00 0.00 32.46 29.96 1dji n ARG 556 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1dji n THR 557 N 2.01 1.02 1.33 0.55 -2.24 -1.25 -0.35 114.28 115.34 1dji n THR 557 Ca 0.50 0.60 0.09 0.00 -2.27 0.00 0.00 64.05 62.96 1dji n THR 557 Cb 0.69 -1.58 0.33 0.00 -2.10 0.00 0.00 70.33 67.67 1dji n THR 557 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1dji n ASP 558 N -2.22 1.33 -1.43 3.42 5.75 -1.26 -0.72 116.55 121.42 1dji n ASP 558 Ca -0.00 -1.74 -0.16 0.00 -0.01 0.00 0.00 54.79 52.87 1dji n ASP 558 Cb 0.08 -0.11 -0.05 0.00 -1.03 0.00 0.00 41.12 40.01 1dji n ASP 558 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1dji n SER 559 N 0.13 -4.92 -4.57 -1.12 7.64 0.53 -4.69 113.62 106.62 1dji n SER 559 Ca 0.14 0.28 -0.29 0.00 1.01 0.00 0.00 58.87 60.01 1dji n SER 559 Cb 0.26 -3.90 0.22 0.00 -1.01 0.00 0.00 64.21 59.77 1dji n SER 559 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1dji s SER 560 N -2.66 1.75 0.14 6.43 1.04 -1.25 -4.68 113.70 114.46 1dji s SER 560 Ca 0.00 1.51 0.09 0.00 0.48 0.00 0.00 55.95 58.03 1dji s SER 560 Cb 0.00 -2.22 -0.04 0.00 0.10 0.00 0.00 66.02 63.86 1dji s SER 560 CO 0.00 -3.72 -0.22 0.20 0.98 0.00 0.00 173.24 170.48 1dji s ASN 561 N -2.83 2.84 0.56 7.02 0.01 -1.26 -4.75 114.94 116.52 1dji s ASN 561 Ca 0.67 -0.77 0.05 0.00 -0.71 0.00 0.00 52.86 52.10 1dji s ASN 561 Cb -0.23 -0.17 0.06 0.00 0.41 0.00 0.00 41.25 41.32 1dji s ASN 561 CO 0.62 0.06 0.77 -0.72 -1.51 0.00 0.00 177.10 176.32 1dji s TYR 562 N -1.46 2.22 -0.13 2.20 1.13 -1.26 -4.94 117.35 115.11 1dji s TYR 562 Ca 0.12 -0.35 -0.29 0.00 -1.41 0.00 0.00 57.07 55.15 1dji s TYR 562 Cb -0.09 -2.57 -0.01 0.00 -1.10 0.00 0.00 41.96 38.20 1dji s TYR 562 CO 0.06 -0.99 0.98 0.45 -2.51 0.00 0.00 175.55 173.54 1dji s SER 563 N -4.53 7.18 0.20 -0.18 0.15 -1.26 -4.86 113.70 110.41 1dji s SER 563 Ca 0.60 1.45 -0.00 0.00 0.70 0.00 0.00 55.95 58.70 1dji s SER 563 Cb -0.08 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.85 1dji s SER 563 CO 0.38 -0.47 1.51 1.55 1.20 0.00 0.00 173.24 177.42 1dji h PRO 564 N 7.18 0.43 -0.62 5.44 0.13 -1.97 -3.28 132.00 139.31 1dji h PRO 564 Ca -0.29 -0.29 0.13 0.00 -0.87 0.00 0.00 66.00 64.68 1dji h PRO 564 Cb 1.13 0.04 -0.11 0.00 0.13 0.00 0.00 31.00 32.19 1dji h PRO 564 CO 0.87 0.90 -0.04 0.28 -0.23 0.00 0.00 178.00 179.77 1dji h VAL 565 N 0.32 0.46 -0.36 1.56 2.07 -1.96 0.32 116.25 118.66 1dji h VAL 565 Ca -0.00 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.60 1dji h VAL 565 Cb 1.12 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1dji h VAL 565 CO 0.10 0.01 0.29 1.05 0.02 0.00 0.00 177.57 179.05 1dji h GLU 566 N 0.08 0.00 0.08 1.57 4.11 -1.90 0.85 114.58 119.36 1dji h GLU 566 Ca 0.32 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.57 1dji h GLU 566 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1dji h GLU 566 CO -0.56 0.00 -0.88 0.52 0.07 0.00 0.00 179.01 178.15 1dji h MET 567 N 0.00 0.17 -0.70 1.06 2.86 -0.64 -3.30 114.93 114.38 1dji h MET 567 Ca 0.17 -0.30 0.14 0.00 -2.06 0.00 0.00 59.70 57.65 1dji h MET 567 Cb 0.75 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.47 1dji h MET 567 CO -0.00 1.14 0.47 -1.49 1.06 0.00 0.00 176.91 178.09 1dji h TRP 568 N -0.58 0.44 0.00 -0.22 6.55 0.25 0.17 115.95 122.56 1dji h TRP 568 Ca -0.19 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.66 1dji h TRP 568 Cb 1.49 -0.14 0.00 0.00 -0.86 0.00 0.00 29.16 29.65 1dji h TRP 568 CO 0.18 0.18 0.00 0.09 -1.05 0.00 0.00 178.44 177.84 1dji n ASN 569 N -4.47 0.00 -0.43 -3.49 3.02 0.18 -0.81 115.26 109.26 1dji n ASN 569 Ca 0.13 0.40 0.04 0.00 -0.03 0.00 0.00 54.58 55.11 1dji n ASN 569 Cb 0.50 -0.43 0.10 0.00 -0.61 0.00 0.00 39.78 39.33 1dji n ASN 569 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dji n GLY 570 N -0.64 2.39 1.94 7.41 0.00 0.55 -4.47 105.19 112.37 1dji n GLY 570 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1dji n GLY 570 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dji n GLY 571 N 0.23 0.76 3.68 -0.02 0.00 0.01 -3.47 105.19 106.39 1dji n GLY 571 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1dji n GLY 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dji n GLN 573 N 5.96 0.70 -3.11 0.00 0.00 -1.24 -4.27 117.38 115.42 1dji n GLN 573 Ca 0.16 0.20 -0.43 0.00 0.00 0.00 0.00 57.00 56.93 1dji n GLN 573 Cb 0.42 -1.63 0.01 0.00 0.00 0.00 0.00 30.24 29.03 1dji n GLN 573 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1dji n ILE 574 N -3.30 5.06 -3.02 -0.39 5.41 -0.50 -1.33 119.36 121.29 1dji n ILE 574 Ca -0.36 -5.76 -0.44 0.00 1.00 0.00 0.00 62.75 57.19 1dji n ILE 574 Cb 1.04 -2.23 -0.03 0.00 -0.71 0.00 0.00 39.64 37.70 1dji n ILE 574 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1dji s VAL 575 N -2.35 4.79 0.02 1.39 1.01 -1.26 -0.27 120.40 123.74 1dji s VAL 575 Ca 0.31 -1.27 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1dji s VAL 575 Cb 0.01 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 1dji s VAL 575 CO 0.05 -1.32 1.01 0.00 0.00 0.00 0.00 175.10 174.84 1dji s ALA 576 N 2.63 3.20 0.23 5.51 0.00 -0.05 -4.37 121.76 128.91 1dji s ALA 576 Ca 0.22 0.59 0.07 0.00 0.00 0.00 0.00 51.96 52.84 1dji s ALA 576 Cb -0.14 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1dji s ALA 576 CO -0.01 -0.24 -0.11 -0.51 0.00 0.00 0.00 175.76 174.89 1dji s LEU 577 N 0.93 2.52 -0.74 0.00 1.43 -0.95 -4.19 118.68 117.68 1dji s LEU 577 Ca 0.53 -1.08 -0.25 0.00 -1.03 0.00 0.00 54.13 52.29 1dji s LEU 577 Cb -0.22 -0.65 0.05 0.00 0.03 0.00 0.00 46.19 45.40 1dji s LEU 577 CO 0.28 -0.24 1.19 0.20 0.23 0.00 0.00 176.35 178.02 1dji s ASN 578 N -3.35 6.21 0.49 2.29 0.01 -1.26 -0.37 114.94 118.96 1dji s ASN 578 Ca 0.25 -0.76 0.33 0.00 -0.71 0.00 0.00 52.86 51.97 1dji s ASN 578 Cb 0.01 -2.51 1.77 0.00 0.41 0.00 0.00 41.25 40.92 1dji s ASN 578 CO 0.08 -1.66 2.02 -0.26 -1.51 0.00 0.00 177.10 175.77 1dji h PHE 579 N 9.83 0.00 -0.00 2.20 -1.00 -1.92 -2.60 116.94 123.44 1dji h PHE 579 Ca -0.23 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.55 1dji h PHE 579 Cb 1.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.61 1dji h PHE 579 CO 1.09 0.00 -0.17 0.00 -1.61 0.00 0.00 178.31 177.62 1dji n GLN 580 N -2.69 0.62 -3.61 1.51 0.00 -1.26 -4.81 117.38 107.14 1dji n GLN 580 Ca -0.02 -0.26 -0.40 0.00 0.00 0.00 0.00 57.00 56.32 1dji n GLN 580 Cb 0.08 -1.49 -0.11 0.00 0.00 0.00 0.00 30.24 28.71 1dji n GLN 580 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1dji s THR 581 N -2.56 4.53 0.56 -0.39 2.01 -0.98 -4.98 115.64 113.83 1dji s THR 581 Ca 0.25 -0.84 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 1dji s THR 581 Cb 0.20 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1dji s THR 581 CO 0.51 -0.21 1.29 -2.84 -0.69 0.00 0.00 174.62 172.68 1dji s PRO 582 N 1.55 3.10 0.00 4.92 0.02 -1.26 -4.65 135.00 138.68 1dji s PRO 582 Ca 0.02 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1dji s PRO 582 Cb -0.19 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.19 1dji s PRO 582 CO 0.06 -1.16 0.00 0.41 -0.33 0.00 0.00 177.00 175.98 1dji n GLY 583 N 0.67 1.25 0.31 0.52 0.00 -1.26 -4.94 105.19 101.73 1dji n GLY 583 Ca 0.12 -1.08 0.06 0.00 0.00 0.00 0.00 46.02 45.11 1dji n GLY 583 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dji h PRO 584 N 0.00 0.43 0.02 1.61 0.11 -1.98 -1.40 132.00 130.79 1dji h PRO 584 Ca 0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1dji h PRO 584 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1dji h PRO 584 CO 0.00 0.29 -0.01 0.93 -0.21 0.00 0.00 178.00 179.00 1dji h GLU 585 N 0.45 -0.02 0.00 1.05 3.07 -1.92 0.28 114.58 117.49 1dji h GLU 585 Ca 0.15 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.94 1dji h GLU 585 Cb 0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1dji h GLU 585 CO -0.03 0.13 -0.35 0.52 -1.40 0.00 0.00 179.01 177.87 1dji h MET 586 N -0.16 0.00 0.20 2.33 2.86 -1.76 -1.11 114.93 117.28 1dji h MET 586 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1dji h MET 586 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1dji h MET 586 CO 0.00 0.35 -0.10 -0.44 1.06 0.00 0.00 176.91 177.79 1dji h ASP 587 N 0.00 -0.23 -0.35 1.22 3.32 -0.74 0.13 116.42 119.76 1dji h ASP 587 Ca -0.00 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 1dji h ASP 587 Cb 0.84 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 1dji h ASP 587 CO 0.05 0.01 0.14 0.58 -1.72 0.00 0.00 179.24 178.29 1dji h VAL 588 N -0.47 1.17 0.58 -1.35 2.07 -0.33 -1.21 116.25 116.71 1dji h VAL 588 Ca -0.03 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1dji h VAL 588 Cb 0.36 0.71 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1dji h VAL 588 CO 0.05 0.22 -0.28 0.22 0.02 0.00 0.00 177.57 177.79 1dji h TYR 589 N 0.59 -0.73 0.00 1.57 3.20 -0.73 -1.51 116.97 119.36 1dji h TYR 589 Ca 0.14 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1dji h TYR 589 Cb 0.17 0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.68 1dji h TYR 589 CO 0.01 -0.40 0.00 -0.07 -1.64 0.00 0.00 178.16 176.05 1dji h LEU 590 N -0.93 0.00 0.15 2.82 3.38 -0.71 -1.95 115.31 118.07 1dji h LEU 590 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1dji h LEU 590 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1dji h LEU 590 CO 0.13 0.00 -0.07 1.23 0.09 0.00 0.00 178.44 179.82 1dji h GLY 591 N 2.24 -0.21 0.08 0.83 0.00 -0.96 -1.80 103.07 103.25 1dji h GLY 591 Ca 0.00 0.08 0.13 0.00 0.00 0.00 0.00 47.33 47.53 1dji h GLY 591 CO 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 176.54 176.58 1dji n PHE 593 N -5.16 0.08 0.14 0.00 3.72 -0.76 -2.53 117.46 112.95 1dji n PHE 593 Ca 0.10 -0.04 0.06 0.00 -0.05 0.00 0.00 57.45 57.52 1dji n PHE 593 Cb 0.36 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.94 1dji n PHE 593 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1dji h GLN 594 N 0.72 0.00 -7.13 -1.08 5.75 -0.33 -3.29 115.11 109.74 1dji h GLN 594 Ca 0.00 0.00 -0.47 0.00 -0.15 0.00 0.00 58.65 58.03 1dji h GLN 594 Cb 0.16 0.00 0.21 0.00 1.07 0.00 0.00 27.48 28.92 1dji h GLN 594 CO 0.00 0.26 -0.03 -3.47 -2.65 0.00 0.00 178.83 172.94 1dji n ASP 595 N -3.06 -1.16 -4.16 -0.69 -0.08 -1.05 -2.21 116.55 104.14 1dji n ASP 595 Ca 0.00 0.03 -0.33 0.00 -1.51 0.00 0.00 54.79 52.99 1dji n ASP 595 Cb 0.67 -1.31 -0.03 0.00 2.34 0.00 0.00 41.12 42.79 1dji n ASP 595 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1dji n ASN 596 N -4.42 -2.18 -0.45 1.67 5.15 -0.65 -0.50 115.26 113.87 1dji n ASN 596 Ca 0.06 -1.03 -0.06 0.00 -0.60 0.00 0.00 54.58 52.95 1dji n ASN 596 Cb 0.54 -2.74 -0.03 0.00 -0.53 0.00 0.00 39.78 37.02 1dji n ASN 596 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dji n GLY 597 N -1.63 0.74 2.65 8.20 0.00 -0.80 -2.83 105.19 111.52 1dji n GLY 597 Ca -0.06 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 1dji n GLY 597 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dji n GLY 598 N -1.05 -0.51 0.10 -0.02 0.00 0.34 -4.71 105.19 99.34 1dji n GLY 598 Ca -0.06 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1dji n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dji n GLY 600 N 1.13 0.16 3.03 0.00 0.00 -1.26 -4.59 105.19 103.66 1dji n GLY 600 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1dji n GLY 600 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dji s TYR 601 N -2.00 2.01 -0.15 1.61 2.02 -1.26 -1.50 117.35 118.09 1dji s TYR 601 Ca 0.00 -1.01 0.00 0.00 -0.37 0.00 0.00 57.07 55.69 1dji s TYR 601 Cb 0.00 -1.47 0.03 0.00 -0.40 0.00 0.00 41.96 40.12 1dji s TYR 601 CO 0.00 -0.54 -0.12 0.08 -1.57 0.00 0.00 175.55 173.40 1dji s VAL 602 N 1.20 1.45 0.22 0.71 1.01 -0.39 -4.90 120.40 119.69 1dji s VAL 602 Ca -0.02 -0.62 -0.32 0.00 0.00 0.00 0.00 61.98 61.03 1dji s VAL 602 Cb -0.14 -1.41 -0.12 0.00 0.00 0.00 0.00 36.38 34.71 1dji s VAL 602 CO -0.05 0.38 1.71 -0.22 0.00 0.00 0.00 175.10 176.92 1dji s LEU 603 N 1.53 4.37 0.75 3.92 2.96 -1.26 0.21 118.68 131.15 1dji s LEU 603 Ca 0.04 2.88 -0.11 0.00 -0.22 0.00 0.00 54.13 56.72 1dji s LEU 603 Cb -0.13 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 43.00 1dji s LEU 603 CO -0.10 -0.97 1.08 -0.54 -1.32 0.00 0.00 176.35 174.50 1dji s LYS 604 N 1.01 2.43 0.81 1.98 1.02 0.44 -4.86 119.74 122.57 1dji s LYS 604 Ca 0.74 1.08 -0.13 0.00 0.02 0.00 0.00 55.97 57.68 1dji s LYS 604 Cb -0.50 -1.92 0.08 0.00 -0.52 0.00 0.00 37.83 34.98 1dji s LYS 604 CO 0.34 -1.50 1.21 -2.14 -0.92 0.00 0.00 175.35 172.34 1dji s PRO 605 N -4.95 1.61 0.13 -1.68 0.02 -1.26 -4.84 135.00 124.02 1dji s PRO 605 Ca 0.60 1.77 -0.21 0.00 0.02 0.00 0.00 61.00 63.18 1dji s PRO 605 Cb -0.16 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1dji s PRO 605 CO 0.56 -2.24 1.70 0.00 -0.33 0.00 0.00 177.00 176.69 1dji h ALA 606 N -0.91 0.09 0.00 -1.55 0.00 -1.97 -1.49 119.26 113.42 1dji h ALA 606 Ca -0.46 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1dji h ALA 606 Cb 1.30 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1dji h ALA 606 CO 0.46 -0.50 0.15 0.27 0.00 0.00 0.00 179.25 179.63 1dji h PHE 607 N -0.03 0.00 -0.22 0.00 -0.00 -1.96 0.92 116.94 115.65 1dji h PHE 607 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.06 1dji h PHE 607 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.12 1dji h PHE 607 CO -0.21 0.00 0.00 1.28 -0.00 0.00 0.00 178.31 179.38 1dji n LEU 608 N -2.65 2.65 -0.33 2.10 4.77 -0.57 -3.57 117.00 119.40 1dji n LEU 608 Ca -0.02 -1.07 0.03 0.00 -0.03 0.00 0.00 56.01 54.93 1dji n LEU 608 Cb 0.19 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1dji n LEU 608 CO 0.13 0.53 0.51 0.54 -1.33 0.00 0.00 177.39 177.78 1dji n ARG 609 N 0.99 2.10 -3.47 3.23 1.74 0.32 -4.53 116.66 117.03 1dji n ARG 609 Ca 0.17 -1.56 -0.43 0.00 -0.77 0.00 0.00 57.85 55.27 1dji n ARG 609 Cb 0.50 -1.14 -0.08 0.00 -1.02 0.00 0.00 32.46 30.71 1dji n ARG 609 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1dji s ASP 610 N -0.87 5.94 0.00 0.55 2.15 -0.95 -4.93 116.67 118.56 1dji s ASP 610 Ca 0.11 -1.43 0.00 0.00 0.43 0.00 0.00 52.55 51.67 1dji s ASP 610 Cb 0.06 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.58 1dji s ASP 610 CO 0.09 -0.61 0.62 -0.81 -0.17 0.00 0.00 175.17 174.29 1dji n PRO 611 N 5.09 0.00 -0.07 4.34 -0.04 -1.26 0.30 135.00 143.35 1dji n PRO 611 Ca -0.11 0.19 0.05 0.00 -0.04 0.00 0.00 63.50 63.59 1dji n PRO 611 Cb 0.43 -1.59 0.07 0.00 -0.04 0.00 0.00 33.50 32.37 1dji n PRO 611 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1dji n ASN 612 N -1.12 1.93 -4.65 3.54 3.02 -1.26 -4.95 115.26 111.77 1dji n ASN 612 Ca 0.00 -2.51 -0.36 0.00 -0.03 0.00 0.00 54.58 51.68 1dji n ASN 612 Cb 0.09 -0.24 0.09 0.00 -0.61 0.00 0.00 39.78 39.11 1dji n ASN 612 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1dji n THR 613 N -0.92 3.19 -0.20 3.41 -1.04 0.15 -4.89 114.28 113.97 1dji n THR 613 Ca 0.08 -0.38 0.07 0.00 -2.04 0.00 0.00 64.05 61.78 1dji n THR 613 Cb 0.50 -1.20 0.20 0.00 -1.82 0.00 0.00 70.33 68.01 1dji n THR 613 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1dji n THR 614 N -2.46 0.97 -1.65 12.58 -2.24 -1.26 -4.93 114.28 115.28 1dji n THR 614 Ca 0.14 -0.98 -0.39 0.00 -2.27 0.00 0.00 64.05 60.54 1dji n THR 614 Cb 0.49 0.52 0.03 0.00 -2.10 0.00 0.00 70.33 69.28 1dji n THR 614 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1dji n PHE 615 N 0.83 1.46 -3.14 4.78 7.35 -1.26 -4.95 117.46 122.53 1dji n PHE 615 Ca 0.15 0.48 0.04 0.00 -0.76 0.00 0.00 57.45 57.36 1dji n PHE 615 Cb 0.48 -2.25 -0.00 0.00 0.35 0.00 0.00 39.48 38.05 1dji n PHE 615 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1dji s ASN 616 N -0.90 -1.33 0.56 -2.13 3.84 -1.26 -4.17 114.94 109.54 1dji s ASN 616 Ca 0.68 -0.03 0.35 0.00 0.21 0.00 0.00 52.86 54.07 1dji s ASN 616 Cb -0.47 1.80 1.50 0.00 -0.55 0.00 0.00 41.25 43.52 1dji s ASN 616 CO 0.52 -0.22 1.77 0.77 -2.79 0.00 0.00 177.10 177.15 1dji h SER 617 N 7.54 0.00 0.79 -4.21 4.64 -1.96 0.99 113.55 121.34 1dji h SER 617 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1dji h SER 617 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1dji h SER 617 CO 0.08 0.00 -0.37 0.54 -0.87 0.00 0.00 176.83 176.22 1dji n ARG 618 N -4.01 0.09 -3.22 4.77 1.74 -1.26 -4.28 116.66 110.49 1dji n ARG 618 Ca 0.23 0.04 -0.24 0.00 -0.77 0.00 0.00 57.85 57.10 1dji n ARG 618 Cb 1.20 -1.57 -0.07 0.00 -1.02 0.00 0.00 32.46 31.00 1dji n ARG 618 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dji n ALA 619 N -1.60 2.51 -2.02 7.54 0.00 0.34 -5.11 120.51 122.16 1dji n ALA 619 Ca 0.05 -3.37 -0.42 0.00 0.00 0.00 0.00 53.44 49.70 1dji n ALA 619 Cb 0.37 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 1dji n ALA 619 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1dji s LEU 620 N -1.02 4.37 0.43 0.00 1.43 -1.10 -4.44 118.68 118.36 1dji s LEU 620 Ca 0.35 2.50 0.04 0.00 -1.03 0.00 0.00 54.13 55.98 1dji s LEU 620 Cb 0.15 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 1dji s LEU 620 CO -0.12 -0.73 0.12 0.42 0.23 0.00 0.00 176.35 176.27 1dji s THR 621 N 0.94 0.64 0.44 5.49 -4.23 -1.26 -5.09 115.64 112.56 1dji s THR 621 Ca 0.66 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.93 1dji s THR 621 Cb -0.40 -2.31 -0.08 0.00 1.34 0.00 0.00 72.50 71.05 1dji s THR 621 CO 0.33 0.00 1.24 -1.58 -0.54 0.00 0.00 174.62 174.07 1dji s GLN 622 N -3.71 3.82 0.00 3.99 2.00 -1.26 -4.75 119.66 119.75 1dji s GLN 622 Ca 0.21 1.98 0.00 0.00 -2.00 0.00 0.00 55.36 55.55 1dji s GLN 622 Cb 0.02 -2.58 0.00 0.00 0.80 0.00 0.00 33.01 31.25 1dji s GLN 622 CO 0.13 -0.56 0.00 0.41 -0.50 0.00 0.00 175.29 174.78 1dji n GLY 623 N 0.61 1.32 0.44 2.59 0.00 -1.26 -4.98 105.19 103.91 1dji n GLY 623 Ca 0.06 -1.00 0.25 0.00 0.00 0.00 0.00 46.02 45.33 1dji n GLY 623 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dji h PRO 624 N 0.00 0.00 0.00 1.61 0.14 -2.03 0.14 132.00 131.86 1dji h PRO 624 Ca 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 66.00 66.00 1dji h PRO 624 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 31.12 1dji h PRO 624 CO 0.00 0.00 -0.67 0.11 0.14 0.00 0.00 178.00 177.58 1dji h TRP 625 N 0.00 0.00 -2.95 1.56 0.09 -1.94 -3.41 115.95 109.31 1dji h TRP 625 Ca 0.33 0.00 -0.55 0.00 0.09 0.00 0.00 58.89 58.76 1dji h TRP 625 Cb 1.65 0.00 -0.06 0.00 0.08 0.00 0.00 29.16 30.83 1dji h TRP 625 CO 0.00 0.67 1.11 -0.46 0.09 0.00 0.00 178.44 179.84 1dji s TRP 626 N -3.42 2.29 -0.46 0.12 -0.11 0.49 -4.33 118.94 113.52 1dji s TRP 626 Ca -0.01 0.56 0.07 0.00 1.22 0.00 0.00 56.10 57.94 1dji s TRP 626 Cb 0.12 -4.35 0.25 0.00 -1.50 0.00 0.00 33.47 27.99 1dji s TRP 626 CO 0.77 -2.01 0.79 0.54 -4.62 0.00 0.00 176.95 172.41 1dji n ARG 627 N 8.47 0.77 -1.56 5.86 1.74 -0.07 -4.77 116.66 127.11 1dji n ARG 627 Ca 0.14 -2.22 -0.48 0.00 -0.77 0.00 0.00 57.85 54.52 1dji n ARG 627 Cb 0.49 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 1dji n ARG 627 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1dji n PRO 628 N 1.49 1.06 -4.19 5.56 -0.02 -1.22 -4.58 135.00 133.09 1dji n PRO 628 Ca 0.13 0.38 -0.16 0.00 -2.02 0.00 0.00 63.50 61.83 1dji n PRO 628 Cb 0.60 -1.79 -0.11 0.00 -0.02 0.00 0.00 33.50 32.18 1dji n PRO 628 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1dji s GLU 629 N -0.72 0.89 -0.29 -0.52 0.41 0.02 -4.75 118.70 113.73 1dji s GLU 629 Ca 0.69 -1.15 -0.06 0.00 -0.41 0.00 0.00 54.97 54.04 1dji s GLU 629 Cb -0.83 -0.66 0.01 0.00 -1.78 0.00 0.00 34.13 30.87 1dji s GLU 629 CO 0.55 0.12 0.07 1.03 -0.49 0.00 0.00 175.26 176.53 1dji s ARG 630 N -2.62 3.00 -0.15 1.61 0.52 0.32 -1.36 118.95 120.27 1dji s ARG 630 Ca 0.05 -0.91 -0.04 0.00 -0.52 0.00 0.00 55.73 54.31 1dji s ARG 630 Cb -0.04 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 1dji s ARG 630 CO 0.01 -0.46 -0.02 -1.17 0.02 0.00 0.00 175.30 173.67 1dji s LEU 631 N 1.47 3.34 -0.09 2.53 2.96 0.24 -0.97 118.68 128.15 1dji s LEU 631 Ca 0.02 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1dji s LEU 631 Cb -0.17 -1.81 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 1dji s LEU 631 CO 0.02 0.19 -0.24 -0.13 -1.32 0.00 0.00 176.35 174.86 1dji s ARG 632 N 0.26 2.95 -0.10 1.98 0.52 0.82 -0.21 118.95 125.18 1dji s ARG 632 Ca -0.02 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.31 1dji s ARG 632 Cb -0.14 -2.27 0.02 0.00 0.52 0.00 0.00 34.95 33.08 1dji s ARG 632 CO 0.03 0.22 -0.11 0.08 0.02 0.00 0.00 175.30 175.54 1dji s VAL 633 N 0.24 1.19 -0.26 3.52 1.01 -0.02 -0.14 120.40 125.94 1dji s VAL 633 Ca -0.16 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1dji s VAL 633 Cb -0.17 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.08 1dji s VAL 633 CO 0.08 0.38 -0.00 -0.60 0.00 0.00 0.00 175.10 174.96 1dji s ARG 634 N 1.24 3.00 -0.50 2.72 3.52 -0.55 -0.46 118.95 127.92 1dji s ARG 634 Ca -0.03 -0.89 -0.25 0.00 -0.13 0.00 0.00 55.73 54.43 1dji s ARG 634 Cb -0.14 -3.15 0.03 0.00 -1.56 0.00 0.00 34.95 30.14 1dji s ARG 634 CO -0.04 -0.40 0.96 0.42 -0.81 0.00 0.00 175.30 175.44 1dji s ILE 635 N 1.41 4.40 -0.02 4.11 -1.09 0.26 -2.07 121.20 128.19 1dji s ILE 635 Ca 0.02 0.60 -0.01 0.00 -2.23 0.00 0.00 60.65 59.03 1dji s ILE 635 Cb -0.17 -4.50 -0.00 0.00 -1.58 0.00 0.00 42.46 36.21 1dji s ILE 635 CO -0.01 -0.98 -0.02 0.40 -1.23 0.00 0.00 174.94 173.09 1dji h ILE 636 N 6.07 0.00 -4.13 2.92 2.04 -1.54 0.88 117.51 123.75 1dji h ILE 636 Ca -0.25 -0.17 -0.17 0.00 1.00 0.00 0.00 64.86 65.27 1dji h ILE 636 Cb 1.07 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.04 1dji h ILE 636 CO 1.06 0.00 -0.35 -0.94 0.00 0.00 0.00 178.15 177.93 1dji s SER 637 N -3.72 0.17 0.10 1.72 1.04 -1.14 0.28 113.70 112.15 1dji s SER 637 Ca -0.02 -1.21 0.09 0.00 0.48 0.00 0.00 55.95 55.30 1dji s SER 637 Cb 0.00 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 1dji s SER 637 CO 0.02 -1.03 -0.23 -0.83 0.98 0.00 0.00 173.24 172.15 1dji s GLY 638 N -3.11 1.33 -0.10 7.32 0.00 -0.19 -0.55 107.32 112.02 1dji s GLY 638 Ca 0.31 -1.29 0.03 0.00 0.00 0.00 0.00 44.72 43.77 1dji s GLY 638 CO 0.12 -1.26 -0.20 1.20 0.00 0.00 0.00 173.10 172.96 1dji s GLN 639 N -1.80 2.66 -1.29 2.90 1.11 -0.35 -3.12 119.66 119.78 1dji s GLN 639 Ca 0.09 -0.74 -0.24 0.00 0.01 0.00 0.00 55.36 54.48 1dji s GLN 639 Cb -0.10 -2.09 0.03 0.00 -1.01 0.00 0.00 33.01 29.84 1dji s GLN 639 CO 0.04 0.08 0.53 1.04 0.01 0.00 0.00 175.29 176.99 1dji n GLN 640 N 3.78 -0.67 -2.11 2.91 6.02 -0.14 -2.13 117.38 125.04 1dji n GLN 640 Ca -0.20 0.13 -0.42 0.00 -0.01 0.00 0.00 57.00 56.50 1dji n GLN 640 Cb 0.52 -3.03 -0.03 0.00 1.02 0.00 0.00 30.24 28.72 1dji n GLN 640 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1dji s LEU 641 N -7.33 4.33 0.26 1.08 1.43 0.20 -3.94 118.68 114.72 1dji s LEU 641 Ca 0.36 2.25 -0.30 0.00 -1.03 0.00 0.00 54.13 55.40 1dji s LEU 641 Cb -0.19 -3.56 -0.13 0.00 0.03 0.00 0.00 46.19 42.34 1dji s LEU 641 CO 0.96 -0.78 1.32 -0.81 0.23 0.00 0.00 176.35 177.27 1dji n PRO 642 N 5.45 1.90 -2.49 1.29 -0.04 -1.26 -4.74 135.00 135.10 1dji n PRO 642 Ca 0.14 0.67 -0.39 0.00 -0.04 0.00 0.00 63.50 63.88 1dji n PRO 642 Cb 0.42 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 1dji n PRO 642 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1dji s LYS 643 N -0.81 3.43 0.00 0.54 2.36 -1.26 -4.94 119.74 119.06 1dji s LYS 643 Ca 0.65 -0.97 0.00 0.00 -2.55 0.00 0.00 55.97 53.10 1dji s LYS 643 Cb -0.66 -5.28 0.00 0.00 -1.05 0.00 0.00 37.83 30.84 1dji s LYS 643 CO 0.53 -2.37 0.00 1.33 1.55 0.00 0.00 175.35 176.39 1dji n VAL 644 N 7.01 0.00 -2.59 4.02 0.24 -1.26 -4.49 118.33 121.26 1dji n VAL 644 Ca 0.33 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.47 1dji n VAL 644 Cb 0.50 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.89 1dji n VAL 644 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1dji n ASN 645 N 0.00 2.67 -1.94 -1.34 3.02 -1.26 -5.08 115.26 111.33 1dji n ASN 645 Ca 0.00 -3.08 0.00 0.00 -0.03 0.00 0.00 54.58 51.47 1dji n ASN 645 Cb 0.00 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 1dji n ASN 645 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1dji n LYS 646 N -0.22 1.69 nan 3.52 3.00 -1.26 -5.18 118.16 nan 1dji n LYS 646 Ca 0.20 0.00 nan 0.00 -0.00 0.00 0.00 58.31 nan 1dji n LYS 646 Cb 0.76 0.00 nan 0.00 0.00 0.00 0.00 35.03 nan 1dji n LYS 646 CO 0.00 0.00 nan 0.27 0.00 0.00 0.00 177.40 nan 1dji n ASN 647 N -1.68 nan 0.00 3.14 0.23 -1.26 -5.07 115.26 nan 1dji n ASN 647 Ca 0.00 nan 0.00 0.00 -0.53 0.00 0.00 54.58 nan 1dji n ASN 647 Cb 0.00 nan 0.00 0.00 -2.08 0.00 0.00 39.78 nan 1dji n ASN 647 CO 0.00 nan 0.00 -0.24 -0.93 0.00 0.00 177.26 nan 1dji n SER 650 N nan 0.00 -2.73 0.53 2.88 -1.26 -5.69 113.62 nan 1dji n SER 650 Ca nan 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 nan 1dji n SER 650 Cb nan 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 nan 1dji n SER 650 CO nan 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 nan 1dji n ILE 651 N 0.00 0.19 -1.16 2.46 2.08 -1.26 -4.94 119.36 116.74 1dji n ILE 651 Ca 0.00 -0.05 -0.34 0.00 0.56 0.00 0.00 62.75 62.92 1dji n ILE 651 Cb 0.00 0.00 0.12 0.00 -0.75 0.00 0.00 39.64 39.01 1dji n ILE 651 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1dji n VAL 652 N 0.77 2.13 -3.43 1.39 0.24 -1.26 -4.62 118.33 113.55 1dji n VAL 652 Ca 0.12 -0.25 -0.26 0.00 -2.04 0.00 0.00 64.34 61.91 1dji n VAL 652 Cb 0.07 -1.14 -0.09 0.00 -1.47 0.00 0.00 33.84 31.21 1dji n VAL 652 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1dji n ASP 653 N -2.72 1.78 -4.77 -1.34 9.92 -1.26 -2.08 116.55 116.08 1dji n ASP 653 Ca 0.13 -2.98 -0.36 0.00 -0.53 0.00 0.00 54.79 51.04 1dji n ASP 653 Cb 0.50 -0.66 -0.01 0.00 -0.64 0.00 0.00 41.12 40.32 1dji n ASP 653 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1dji s PRO 654 N -1.46 3.66 0.05 -0.24 0.04 -1.12 -1.29 135.00 134.65 1dji s PRO 654 Ca 0.34 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 63.09 1dji s PRO 654 Cb 0.10 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1dji s PRO 654 CO -0.10 -0.62 -0.01 -1.59 0.04 0.00 0.00 177.00 174.71 1dji s LYS 655 N -2.85 0.59 -0.05 4.56 -2.85 -0.77 -1.00 119.74 117.36 1dji s LYS 655 Ca 0.66 -1.11 0.05 0.00 -1.00 0.00 0.00 55.97 54.57 1dji s LYS 655 Cb -0.27 0.21 -0.00 0.00 -2.06 0.00 0.00 37.83 35.70 1dji s LYS 655 CO 0.32 -0.12 -0.20 0.08 0.10 0.00 0.00 175.35 175.54 1dji s VAL 656 N -3.57 1.69 -0.12 1.79 1.01 -1.26 -1.97 120.40 117.97 1dji s VAL 656 Ca 0.04 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 1dji s VAL 656 Cb 0.05 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1dji s VAL 656 CO -0.09 0.48 -0.10 -0.63 0.00 0.00 0.00 175.10 174.76 1dji s ILE 657 N 0.02 3.35 -0.17 2.22 -1.09 0.19 -0.43 121.20 125.29 1dji s ILE 657 Ca -0.06 -0.57 0.01 0.00 -2.23 0.00 0.00 60.65 57.80 1dji s ILE 657 Cb -0.13 -2.40 0.01 0.00 -1.58 0.00 0.00 42.46 38.36 1dji s ILE 657 CO 0.03 0.54 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.41 1dji s VAL 658 N 0.04 2.33 0.08 2.92 1.01 0.41 -0.28 120.40 126.91 1dji s VAL 658 Ca -0.03 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.18 1dji s VAL 658 Cb -0.14 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1dji s VAL 658 CO 0.04 0.52 -0.24 -1.61 0.00 0.00 0.00 175.10 173.81 1dji s GLU 659 N 1.11 1.48 -0.24 2.72 2.02 0.60 -0.78 118.70 125.61 1dji s GLU 659 Ca 0.00 -1.14 -0.05 0.00 0.02 0.00 0.00 54.97 53.80 1dji s GLU 659 Cb -0.14 -1.74 -0.01 0.00 0.10 0.00 0.00 34.13 32.34 1dji s GLU 659 CO -0.07 0.43 0.01 0.42 0.02 0.00 0.00 175.26 176.07 1dji s ILE 660 N -0.93 3.69 -0.15 -1.63 -1.09 0.76 -0.15 121.20 121.71 1dji s ILE 660 Ca 0.10 -0.47 -0.03 0.00 -2.23 0.00 0.00 60.65 58.03 1dji s ILE 660 Cb -0.10 -2.74 -0.02 0.00 -1.58 0.00 0.00 42.46 38.02 1dji s ILE 660 CO 0.03 0.33 -0.06 -1.00 -1.23 0.00 0.00 174.94 173.01 1dji s HIS 661 N 1.51 2.96 -0.89 3.97 3.76 0.22 -2.13 115.29 124.68 1dji s HIS 661 Ca 0.05 -0.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 1dji s HIS 661 Cb -0.15 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.60 1dji s HIS 661 CO -0.01 -0.13 0.00 0.41 -0.85 0.00 0.00 174.74 174.17 1dji n GLY 662 N 3.63 -0.79 3.70 -2.22 0.00 -1.26 0.61 105.19 108.86 1dji n GLY 662 Ca -0.18 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1dji n GLY 662 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1dji s VAL 663 N -4.00 2.12 0.27 1.61 -7.23 -1.26 -4.69 120.40 107.21 1dji s VAL 663 Ca 0.00 0.05 -0.05 0.00 -1.81 0.00 0.00 61.98 60.17 1dji s VAL 663 Cb 0.00 -2.51 0.36 0.00 0.56 0.00 0.00 36.38 34.79 1dji s VAL 663 CO 0.00 -0.03 1.60 1.23 -0.31 0.00 0.00 175.10 177.58 1dji h GLY 664 N -0.74 0.92 2.00 2.32 0.00 -1.99 0.70 103.07 106.28 1dji h GLY 664 Ca -0.47 0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1dji h GLY 664 CO 0.47 -0.38 -0.00 0.07 0.00 0.00 0.00 176.54 176.69 1dji h ARG 665 N 0.04 0.00 0.00 4.80 0.11 -1.89 -2.93 114.38 114.51 1dji h ARG 665 Ca 0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.56 1dji h ARG 665 Cb 0.88 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.96 1dji h ARG 665 CO -0.84 0.00 -0.58 -0.25 0.10 0.00 0.00 179.97 178.40 1dji n ASP 666 N -3.10 0.56 -4.74 0.08 8.00 0.23 -4.90 116.55 112.67 1dji n ASP 666 Ca 0.01 -0.12 -0.41 0.00 0.71 0.00 0.00 54.79 54.97 1dji n ASP 666 Cb 0.31 0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.65 1dji n ASP 666 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1dji s THR 667 N -3.07 2.88 0.15 -3.53 -4.23 -1.11 -4.72 115.64 102.01 1dji s THR 667 Ca 0.09 0.75 -0.24 0.00 -1.18 0.00 0.00 61.69 61.11 1dji s THR 667 Cb 0.16 -3.48 0.07 0.00 1.34 0.00 0.00 72.50 70.59 1dji s THR 667 CO 0.71 0.12 0.66 -0.83 -0.54 0.00 0.00 174.62 174.75 1dji s GLY 668 N 0.26 -0.52 -0.05 3.99 0.00 -0.91 -4.96 107.32 105.14 1dji s GLY 668 Ca 0.57 0.44 -0.12 0.00 0.00 0.00 0.00 44.72 45.61 1dji s GLY 668 CO 0.42 0.15 0.28 -0.45 0.00 0.00 0.00 173.10 173.50 1dji s SER 669 N -2.74 -0.21 0.03 1.64 0.15 -1.26 -0.17 113.70 111.15 1dji s SER 669 Ca 0.03 0.24 -0.09 0.00 0.70 0.00 0.00 55.95 56.83 1dji s SER 669 Cb -0.02 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1dji s SER 669 CO -0.09 -0.30 0.19 -0.13 1.20 0.00 0.00 173.24 174.11 1dji s ARG 670 N -0.76 0.66 0.04 5.44 1.81 0.04 -4.97 118.95 121.21 1dji s ARG 670 Ca -0.09 -0.58 0.03 0.00 -1.72 0.00 0.00 55.73 53.37 1dji s ARG 670 Cb -0.04 0.28 -0.02 0.00 -0.45 0.00 0.00 34.95 34.71 1dji s ARG 670 CO 0.02 -0.19 -0.09 1.14 -0.68 0.00 0.00 175.30 175.51 1dji s GLN 671 N -2.35 0.57 0.81 3.54 -2.07 -1.26 -0.44 119.66 118.45 1dji s GLN 671 Ca -0.07 -0.73 -0.09 0.00 -1.82 0.00 0.00 55.36 52.65 1dji s GLN 671 Cb -0.02 -0.38 0.13 0.00 -1.09 0.00 0.00 33.01 31.64 1dji s GLN 671 CO -0.03 0.08 1.13 0.95 -1.32 0.00 0.00 175.29 176.10 1dji s THR 672 N -1.25 2.12 1.07 3.63 -4.23 0.43 -4.98 115.64 112.43 1dji s THR 672 Ca -0.08 -0.23 -0.17 0.00 -1.18 0.00 0.00 61.69 60.03 1dji s THR 672 Cb -0.09 -2.89 0.23 0.00 1.34 0.00 0.00 72.50 71.09 1dji s THR 672 CO 0.01 0.00 1.20 0.00 -0.54 0.00 0.00 174.62 175.29 1dji s ALA 673 N -3.47 1.43 -0.17 3.99 0.00 -1.26 -4.54 121.76 117.74 1dji s ALA 673 Ca 0.67 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 51.54 1dji s ALA 673 Cb -0.07 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 1dji s ALA 673 CO 0.48 -2.95 0.09 0.08 0.00 0.00 0.00 175.76 173.46 1dji s VAL 674 N -3.42 5.04 -0.10 0.00 1.01 -1.26 -4.44 120.40 117.24 1dji s VAL 674 Ca 0.71 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.60 1dji s VAL 674 Cb -0.08 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1dji s VAL 674 CO 0.54 0.49 0.35 -0.63 0.00 0.00 0.00 175.10 175.86 1dji s ILE 675 N 0.05 5.21 -0.06 2.22 -1.09 -0.17 -4.98 121.20 122.39 1dji s ILE 675 Ca 0.07 0.69 -0.19 0.00 -2.23 0.00 0.00 60.65 59.00 1dji s ILE 675 Cb -0.12 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 37.04 1dji s ILE 675 CO 0.00 0.46 0.51 -0.89 -1.23 0.00 0.00 174.94 173.79 1dji s THR 676 N -0.15 5.06 -1.41 2.92 2.01 -1.26 -2.78 115.64 120.03 1dji s THR 676 Ca 0.21 1.05 -0.03 0.00 0.31 0.00 0.00 61.69 63.22 1dji s THR 676 Cb -0.14 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1dji s THR 676 CO 0.08 0.40 0.37 0.59 -0.69 0.00 0.00 174.62 175.37 1dji n ASN 677 N 3.04 -0.53 -3.38 3.53 3.02 -1.19 -4.97 115.26 114.78 1dji n ASN 677 Ca -0.08 -1.07 -0.08 0.00 -0.03 0.00 0.00 54.58 53.32 1dji n ASN 677 Cb 0.51 -2.75 -0.08 0.00 -0.61 0.00 0.00 39.78 36.86 1dji n ASN 677 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1dji s ASN 678 N -4.29 0.04 -0.00 6.41 3.84 -0.88 -4.87 114.94 115.18 1dji s ASN 678 Ca 0.05 0.39 0.01 0.00 0.21 0.00 0.00 52.86 53.52 1dji s ASN 678 Cb -0.02 1.23 -0.01 0.00 -0.55 0.00 0.00 41.25 41.90 1dji s ASN 678 CO 0.91 -0.29 0.03 0.61 -2.79 0.00 0.00 177.10 175.57 1dji n GLY 679 N 5.37 0.43 0.19 1.21 0.00 -1.26 -4.27 105.19 106.86 1dji n GLY 679 Ca -0.04 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 1dji n GLY 679 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1dji h PHE 680 N 0.00 0.80 -0.00 1.61 3.57 -1.88 0.58 116.94 121.62 1dji h PHE 680 Ca 0.00 -0.30 -0.22 0.00 3.53 0.00 0.00 57.97 60.98 1dji h PHE 680 Cb 0.03 -0.14 -0.15 0.00 2.79 0.00 0.00 35.95 38.48 1dji h PHE 680 CO 0.00 1.07 -0.35 0.27 -2.23 0.00 0.00 178.31 177.07 1dji n ASN 681 N -4.22 -1.89 -4.70 0.41 6.94 -1.24 -0.96 115.26 109.59 1dji n ASN 681 Ca -0.06 -2.45 -0.36 0.00 -0.02 0.00 0.00 54.58 51.69 1dji n ASN 681 Cb 0.56 1.01 0.08 0.00 -2.36 0.00 0.00 39.78 39.07 1dji n ASN 681 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1dji n PRO 682 N -0.64 0.81 -4.10 -0.53 -0.04 -1.18 -4.75 135.00 124.57 1dji n PRO 682 Ca -0.04 0.34 -0.22 0.00 -0.04 0.00 0.00 63.50 63.54 1dji n PRO 682 Cb 0.85 -2.45 -0.17 0.00 -0.04 0.00 0.00 33.50 31.69 1dji n PRO 682 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1dji s ARG 683 N -3.51 1.00 -0.15 0.54 3.52 -1.26 -1.02 118.95 118.07 1dji s ARG 683 Ca 0.79 -0.12 -0.05 0.00 -0.13 0.00 0.00 55.73 56.22 1dji s ARG 683 Cb -0.36 -1.06 -0.07 0.00 -1.56 0.00 0.00 34.95 31.90 1dji s ARG 683 CO 0.44 -0.14 -0.17 0.91 -0.81 0.00 0.00 175.30 175.52 1dji n TRP 684 N 4.39 0.00 -3.77 5.12 8.01 0.14 -4.98 117.44 126.36 1dji n TRP 684 Ca -0.19 0.00 -0.25 0.00 -1.31 0.00 0.00 57.50 55.76 1dji n TRP 684 Cb 0.51 -0.55 0.02 0.00 -2.01 0.00 0.00 31.31 29.28 1dji n TRP 684 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1dji n ASP 685 N -3.44 -1.89 -4.27 -0.99 -0.08 0.29 -4.98 116.55 101.18 1dji n ASP 685 Ca -0.29 -0.92 -0.27 0.00 -1.51 0.00 0.00 54.79 51.80 1dji n ASP 685 Cb 0.73 -3.61 -0.15 0.00 2.34 0.00 0.00 41.12 40.44 1dji n ASP 685 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 1dji s MET 686 N -6.12 1.60 -0.02 -0.67 1.75 0.13 -4.95 119.30 111.02 1dji s MET 686 Ca 0.11 -0.95 0.04 0.00 -1.25 0.00 0.00 55.69 53.65 1dji s MET 686 Cb -0.04 -1.69 -0.01 0.00 2.84 0.00 0.00 34.83 35.94 1dji s MET 686 CO 0.85 0.44 -0.15 -2.00 -0.65 0.00 0.00 175.02 173.51 1dji s GLU 687 N -1.02 1.33 0.08 4.11 2.12 -1.26 0.90 118.70 124.95 1dji s GLU 687 Ca 0.09 -0.51 0.10 0.00 0.36 0.00 0.00 54.97 55.00 1dji s GLU 687 Cb -0.09 -1.23 -0.03 0.00 0.26 0.00 0.00 34.13 33.04 1dji s GLU 687 CO 0.01 0.26 -0.25 -0.06 -0.54 0.00 0.00 175.26 174.69 1dji s PHE 688 N -0.14 2.37 -0.09 5.30 0.08 0.39 -4.96 117.98 120.92 1dji s PHE 688 Ca 0.02 -0.37 0.04 0.00 0.12 0.00 0.00 56.93 56.73 1dji s PHE 688 Cb -0.08 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 41.02 1dji s PHE 688 CO 0.00 0.23 -0.22 -2.00 -0.10 0.00 0.00 175.22 173.13 1dji s GLU 689 N -1.60 2.82 0.06 0.44 -6.30 -1.26 -0.84 118.70 112.03 1dji s GLU 689 Ca 0.13 -0.81 0.09 0.00 -2.50 0.00 0.00 54.97 51.89 1dji s GLU 689 Cb -0.10 -2.15 -0.03 0.00 0.00 0.00 0.00 34.13 31.85 1dji s GLU 689 CO 0.04 0.16 -0.25 -0.06 0.02 0.00 0.00 175.26 175.18 1dji s PHE 690 N 0.37 2.14 -0.24 5.30 0.08 0.70 -4.97 117.98 121.37 1dji s PHE 690 Ca -0.18 -0.40 -0.09 0.00 0.12 0.00 0.00 56.93 56.39 1dji s PHE 690 Cb -0.17 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 40.99 1dji s PHE 690 CO 0.08 0.16 0.11 -2.00 -0.10 0.00 0.00 175.22 173.47 1dji s GLU 691 N -1.42 3.87 -0.23 0.44 2.56 -1.26 -0.59 118.70 122.06 1dji s GLU 691 Ca 0.11 -0.37 0.02 0.00 0.00 0.00 0.00 54.97 54.72 1dji s GLU 691 Cb -0.10 -3.41 0.05 0.00 2.00 0.00 0.00 34.13 32.68 1dji s GLU 691 CO 0.03 -0.03 -0.11 0.08 -0.56 0.00 0.00 175.26 174.68 1dji s VAL 692 N 1.24 1.87 0.14 3.70 1.01 -0.46 -4.82 120.40 123.07 1dji s VAL 692 Ca 0.06 -1.30 0.07 0.00 0.00 0.00 0.00 61.98 60.81 1dji s VAL 692 Cb -0.14 -1.97 -0.19 0.00 0.00 0.00 0.00 36.38 34.07 1dji s VAL 692 CO 0.05 0.07 1.32 0.71 0.00 0.00 0.00 175.10 177.24 1dji h THR 693 N 6.56 1.69 -2.14 3.92 1.35 -1.86 0.10 112.91 122.52 1dji h THR 693 Ca -0.24 -3.28 -0.57 0.00 -0.55 0.00 0.00 66.41 61.77 1dji h THR 693 Cb 1.07 2.77 -0.41 0.00 -1.73 0.00 0.00 68.15 69.86 1dji h THR 693 CO 0.47 0.94 -0.83 0.52 -0.25 0.00 0.00 175.52 176.37 1dji n VAL 694 N -3.40 1.46 -0.02 6.82 0.31 -1.26 -0.89 118.33 121.35 1dji n VAL 694 Ca -0.00 -4.96 0.23 0.00 -0.01 0.00 0.00 64.34 59.60 1dji n VAL 694 Cb 0.90 -1.53 0.72 0.00 -0.91 0.00 0.00 33.84 33.03 1dji n VAL 694 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1dji h PRO 695 N 3.58 0.00 0.00 5.55 0.13 -1.80 0.57 132.00 140.03 1dji h PRO 695 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1dji h PRO 695 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1dji h PRO 695 CO 0.69 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 1dji n ASP 696 N -3.97 0.35 -0.20 1.44 8.00 -1.26 -1.49 116.55 119.42 1dji n ASP 696 Ca 0.12 0.62 0.02 0.00 0.71 0.00 0.00 54.79 56.26 1dji n ASP 696 Cb 0.76 -0.68 0.04 0.00 -0.02 0.00 0.00 41.12 41.22 1dji n ASP 696 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1dji n LEU 697 N -1.92 1.85 -4.91 0.64 4.77 0.19 -4.83 117.00 112.79 1dji n LEU 697 Ca 0.01 -1.51 -0.28 0.00 -0.03 0.00 0.00 56.01 54.20 1dji n LEU 697 Cb 0.12 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1dji n LEU 697 CO 0.12 0.44 0.11 0.00 -1.33 0.00 0.00 177.39 176.73 1dji s ALA 698 N -0.68 3.73 0.01 -1.18 0.00 -0.55 -4.29 121.76 118.80 1dji s ALA 698 Ca 0.07 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.36 1dji s ALA 698 Cb 0.04 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 1dji s ALA 698 CO 0.06 0.36 -0.04 -0.51 0.00 0.00 0.00 175.76 175.62 1dji s LEU 699 N -3.38 2.11 -0.17 0.00 1.02 0.20 -0.67 118.68 117.79 1dji s LEU 699 Ca 0.41 -0.26 -0.02 0.00 0.02 0.00 0.00 54.13 54.27 1dji s LEU 699 Cb -0.11 -0.12 -0.02 0.00 0.02 0.00 0.00 46.19 45.96 1dji s LEU 699 CO 0.29 -0.08 -0.07 -0.69 0.02 0.00 0.00 176.35 175.81 1dji s VAL 700 N -0.66 3.40 -0.08 -1.59 1.01 0.55 -0.61 120.40 122.42 1dji s VAL 700 Ca -0.05 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.46 1dji s VAL 700 Cb -0.05 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1dji s VAL 700 CO -0.00 0.48 -0.20 -0.60 0.00 0.00 0.00 175.10 174.77 1dji s ARG 701 N 0.76 2.82 -0.22 2.72 3.52 0.79 -0.35 118.95 128.98 1dji s ARG 701 Ca -0.03 -0.82 -0.05 0.00 -0.13 0.00 0.00 55.73 54.70 1dji s ARG 701 Cb -0.15 -2.33 -0.02 0.00 -1.56 0.00 0.00 34.95 30.90 1dji s ARG 701 CO 0.02 0.35 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.79 1dji s PHE 702 N -0.05 3.00 -0.07 5.12 0.08 0.10 -0.29 117.98 125.87 1dji s PHE 702 Ca -0.05 -0.73 0.03 0.00 0.12 0.00 0.00 56.93 56.30 1dji s PHE 702 Cb -0.14 -2.13 0.01 0.00 -0.57 0.00 0.00 43.02 40.18 1dji s PHE 702 CO 0.04 -0.45 -0.16 1.41 -0.10 0.00 0.00 175.22 175.96 1dji s MET 703 N 1.43 2.09 -0.16 0.44 -2.45 0.61 -1.10 119.30 120.17 1dji s MET 703 Ca 0.05 -0.58 -0.04 0.00 -1.25 0.00 0.00 55.69 53.88 1dji s MET 703 Cb -0.15 -1.68 -0.03 0.00 1.25 0.00 0.00 34.83 34.23 1dji s MET 703 CO -0.01 0.11 -0.03 0.08 1.05 0.00 0.00 175.02 176.22 1dji s VAL 704 N 0.46 3.90 0.13 10.11 1.01 -0.09 0.54 120.40 136.46 1dji s VAL 704 Ca -0.14 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 61.59 1dji s VAL 704 Cb -0.16 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1dji s VAL 704 CO 0.05 0.48 -0.23 -1.61 0.00 0.00 0.00 175.10 173.80 1dji s GLU 705 N 0.45 1.27 -0.32 2.72 2.02 -0.83 0.41 118.70 124.41 1dji s GLU 705 Ca -0.03 -1.29 -0.15 0.00 0.02 0.00 0.00 54.97 53.52 1dji s GLU 705 Cb -0.14 -1.59 -0.02 0.00 0.10 0.00 0.00 34.13 32.48 1dji s GLU 705 CO 0.03 0.36 0.35 0.34 0.02 0.00 0.00 175.26 176.36 1dji s ASP 706 N -2.14 6.17 0.14 -0.19 -1.08 0.40 -1.85 116.67 118.11 1dji s ASP 706 Ca 0.12 -0.12 -0.30 0.00 -0.52 0.00 0.00 52.55 51.72 1dji s ASP 706 Cb -0.09 -2.19 -0.07 0.00 -1.46 0.00 0.00 42.92 39.10 1dji s ASP 706 CO 0.06 -0.28 1.23 -0.47 0.52 0.00 0.00 175.17 176.22 1dji s TYR 707 N 2.00 3.40 -0.16 -5.34 5.04 -0.41 -2.24 117.35 119.64 1dji s TYR 707 Ca 0.12 1.31 -0.01 0.00 -2.44 0.00 0.00 57.07 56.04 1dji s TYR 707 Cb -0.16 -3.47 0.04 0.00 0.35 0.00 0.00 41.96 38.72 1dji s TYR 707 CO 0.11 -1.42 -0.02 -0.51 -1.34 0.00 0.00 175.55 172.37 1dji s ASP 708 N 0.56 2.67 0.28 4.32 1.01 -1.26 -4.68 116.67 119.58 1dji s ASP 708 Ca 0.56 -0.62 -0.02 0.00 0.71 0.00 0.00 52.55 53.19 1dji s ASP 708 Cb -0.32 -0.75 0.41 0.00 1.01 0.00 0.00 42.92 43.26 1dji s ASP 708 CO 0.33 -0.22 1.86 0.77 0.21 0.00 0.00 175.17 178.13 1dji h SER 709 N 8.18 0.83 0.03 0.27 4.64 -1.96 -3.30 113.55 122.24 1dji h SER 709 Ca -0.21 -0.11 -0.19 0.00 -0.47 0.00 0.00 61.79 60.81 1dji h SER 709 Cb 1.11 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.97 1dji h SER 709 CO 0.36 0.75 -1.02 0.77 -0.87 0.00 0.00 176.83 176.82 1dji h SER 710 N 0.89 0.11 -1.08 4.97 4.64 -2.03 -3.49 113.55 117.57 1dji h SER 710 Ca 0.21 -0.73 -0.49 0.00 -0.47 0.00 0.00 61.79 60.31 1dji h SER 710 Cb 0.18 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1dji h SER 710 CO -0.02 1.42 -0.24 -0.94 -0.87 0.00 0.00 176.83 176.18 1dji s SER 711 N -6.75 5.14 0.38 4.97 1.04 -1.24 -5.09 113.70 112.15 1dji s SER 711 Ca -0.24 -0.79 -0.26 0.00 0.48 0.00 0.00 55.95 55.14 1dji s SER 711 Cb 0.03 -0.12 -0.09 0.00 0.10 0.00 0.00 66.02 65.95 1dji s SER 711 CO 0.66 -1.00 1.17 -0.75 0.98 0.00 0.00 173.24 174.31 1dji s LYS 712 N -4.39 4.13 0.00 4.02 2.47 -1.26 -4.27 119.74 120.44 1dji s LYS 712 Ca 0.52 1.86 -0.30 0.00 -1.56 0.00 0.00 55.97 56.49 1dji s LYS 712 Cb -0.06 -2.75 -0.07 0.00 -1.46 0.00 0.00 37.83 33.49 1dji s LYS 712 CO 0.32 -0.26 1.75 -0.80 0.16 0.00 0.00 175.35 176.52 1dji s ASN 713 N -1.06 6.58 0.73 1.43 0.01 -1.26 -4.72 114.94 116.66 1dji s ASN 713 Ca 0.55 2.43 -0.15 0.00 -0.71 0.00 0.00 52.86 54.99 1dji s ASN 713 Cb -0.31 -2.54 0.04 0.00 0.41 0.00 0.00 41.25 38.85 1dji s ASN 713 CO 0.40 -0.96 1.20 -1.81 -1.51 0.00 0.00 177.10 174.42 1dji s ASP 714 N 3.45 4.19 0.04 -1.22 1.11 -0.95 -4.69 116.67 118.61 1dji s ASP 714 Ca 0.78 2.33 -0.23 0.00 0.18 0.00 0.00 52.55 55.60 1dji s ASP 714 Cb -0.38 -2.59 -0.06 0.00 1.07 0.00 0.00 42.92 40.97 1dji s ASP 714 CO 0.34 -2.26 0.71 0.12 1.18 0.00 0.00 175.17 175.26 1dji s PHE 715 N -2.03 3.74 -0.20 4.23 2.19 -1.26 -0.46 117.98 124.19 1dji s PHE 715 Ca 0.74 1.41 -0.10 0.00 0.33 0.00 0.00 56.93 59.30 1dji s PHE 715 Cb -0.28 -2.74 -0.09 0.00 -1.31 0.00 0.00 43.02 38.60 1dji s PHE 715 CO 0.46 0.33 -0.26 -0.89 1.83 0.00 0.00 175.22 176.69 1dji n ILE 716 N 2.61 1.11 -3.67 3.12 5.41 0.16 -4.82 119.36 123.29 1dji n ILE 716 Ca -0.04 -0.28 -0.02 0.00 1.00 0.00 0.00 62.75 63.41 1dji n ILE 716 Cb 0.50 -1.78 -0.01 0.00 -0.71 0.00 0.00 39.64 37.64 1dji n ILE 716 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1dji s GLY 717 N -5.36 -0.33 0.21 7.39 0.00 -1.11 -4.80 107.32 103.31 1dji s GLY 717 Ca -0.28 0.54 -0.18 0.00 0.00 0.00 0.00 44.72 44.79 1dji s GLY 717 CO 0.36 0.12 0.56 1.62 0.00 0.00 0.00 173.10 175.75 1dji s GLN 718 N -2.86 1.45 -0.27 2.90 -0.44 -0.14 -0.92 119.66 119.38 1dji s GLN 718 Ca 0.12 -0.88 -0.16 0.00 -2.50 0.00 0.00 55.36 51.94 1dji s GLN 718 Cb 0.01 0.54 0.08 0.00 -1.64 0.00 0.00 33.01 32.00 1dji s GLN 718 CO -0.02 -0.62 0.67 0.45 0.50 0.00 0.00 175.29 176.27 1dji s SER 719 N -2.88 -0.89 -0.12 6.67 0.15 -0.26 0.26 113.70 116.65 1dji s SER 719 Ca 0.10 1.45 0.02 0.00 0.70 0.00 0.00 55.95 58.22 1dji s SER 719 Cb -0.02 1.34 0.01 0.00 -1.71 0.00 0.00 66.02 65.64 1dji s SER 719 CO -0.01 -0.24 -0.19 -0.89 1.20 0.00 0.00 173.24 173.11 1dji s THR 720 N 1.47 1.79 -0.13 6.45 2.01 -1.26 0.02 115.64 125.99 1dji s THR 720 Ca -0.09 -0.83 -0.00 0.00 0.31 0.00 0.00 61.69 61.08 1dji s THR 720 Cb -0.05 -1.59 0.02 0.00 0.01 0.00 0.00 72.50 70.89 1dji s THR 720 CO -0.17 0.50 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.53 1dji s ILE 721 N 0.78 1.24 0.33 1.82 1.01 0.52 -4.60 121.20 122.29 1dji s ILE 721 Ca -0.10 -0.42 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 1dji s ILE 721 Cb -0.16 -1.21 -0.11 0.00 0.01 0.00 0.00 42.46 40.99 1dji s ILE 721 CO 0.01 0.40 1.55 -2.65 0.00 0.00 0.00 174.94 174.25 1dji n PRO 722 N 4.85 2.68 -0.35 2.79 -0.02 -1.26 -0.33 135.00 143.35 1dji n PRO 722 Ca -0.14 0.95 0.01 0.00 -2.02 0.00 0.00 63.50 62.30 1dji n PRO 722 Cb 0.50 -2.71 0.07 0.00 -0.02 0.00 0.00 33.50 31.35 1dji n PRO 722 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1dji n TRP 723 N 1.44 0.14 1.45 6.00 -0.00 0.15 -0.51 117.44 126.11 1dji n TRP 723 Ca 0.06 1.14 0.08 0.00 -0.00 0.00 0.00 57.50 58.77 1dji n TRP 723 Cb 0.37 -0.92 0.47 0.00 -0.00 0.00 0.00 31.31 31.24 1dji n TRP 723 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1dji n ASN 724 N -5.42 0.00 -0.32 5.87 3.02 -1.26 -2.35 115.26 114.80 1dji n ASN 724 Ca 0.11 -0.96 0.04 0.00 -0.03 0.00 0.00 54.58 53.75 1dji n ASN 724 Cb 0.41 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.60 1dji n ASN 724 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1dji n SER 725 N -0.84 1.60 -4.59 6.41 7.64 0.33 -4.95 113.62 119.23 1dji n SER 725 Ca 0.12 -1.30 -0.42 0.00 1.01 0.00 0.00 58.87 58.27 1dji n SER 725 Cb 0.05 0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.32 1dji n SER 725 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1dji s LEU 726 N -0.88 3.49 0.59 -3.43 2.96 -0.99 0.12 118.68 120.54 1dji s LEU 726 Ca 0.10 0.66 -0.16 0.00 -0.22 0.00 0.00 54.13 54.50 1dji s LEU 726 Cb 0.07 -3.30 -0.04 0.00 0.50 0.00 0.00 46.19 43.42 1dji s LEU 726 CO 0.13 -1.62 1.06 -0.54 -1.32 0.00 0.00 176.35 174.05 1dji s LYS 727 N 5.35 3.33 0.44 1.98 -0.14 0.81 -4.91 119.74 126.61 1dji s LYS 727 Ca 0.61 1.21 0.08 0.00 -1.36 0.00 0.00 55.97 56.50 1dji s LYS 727 Cb -0.13 -2.03 0.00 0.00 -1.68 0.00 0.00 37.83 33.99 1dji s LYS 727 CO 0.29 -0.80 0.49 -0.65 -0.76 0.00 0.00 175.35 173.93 1dji s GLN 728 N -4.06 2.62 2.12 1.68 -0.21 -1.26 -4.71 119.66 115.84 1dji s GLN 728 Ca 0.64 -1.45 0.00 0.00 0.02 0.00 0.00 55.36 54.56 1dji s GLN 728 Cb -0.16 -2.54 0.00 0.00 1.00 0.00 0.00 33.01 31.31 1dji s GLN 728 CO 0.37 -0.31 0.00 0.41 -2.12 0.00 0.00 175.29 173.64 1dji n GLY 729 N -1.74 -0.38 3.69 3.09 0.00 -1.19 -4.66 105.19 104.00 1dji n GLY 729 Ca 0.06 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 1dji n GLY 729 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dji s TYR 730 N 0.00 3.49 0.14 1.61 2.02 -1.26 -1.65 117.35 121.70 1dji s TYR 730 Ca 0.00 1.20 -0.09 0.00 -0.37 0.00 0.00 57.07 57.82 1dji s TYR 730 Cb 0.00 -2.88 -0.01 0.00 -0.40 0.00 0.00 41.96 38.67 1dji s TYR 730 CO 0.00 -0.07 0.25 1.03 -1.57 0.00 0.00 175.55 175.19 1dji s ARG 731 N 1.46 1.04 -0.10 -0.62 1.81 0.27 -4.98 118.95 117.83 1dji s ARG 731 Ca 0.37 -1.09 -0.01 0.00 -1.72 0.00 0.00 55.73 53.27 1dji s ARG 731 Cb -0.17 0.37 -0.03 0.00 -0.45 0.00 0.00 34.95 34.67 1dji s ARG 731 CO 0.15 -0.37 -0.04 -1.01 -0.68 0.00 0.00 175.30 173.35 1dji s HIS 732 N -3.93 3.02 -0.34 -0.53 3.76 -0.94 -0.14 115.29 116.20 1dji s HIS 732 Ca 0.13 -0.05 -0.14 0.00 -0.15 0.00 0.00 55.06 54.84 1dji s HIS 732 Cb 0.04 -1.82 -0.02 0.00 1.11 0.00 0.00 32.58 31.89 1dji s HIS 732 CO -0.04 0.23 0.31 0.08 -0.85 0.00 0.00 174.74 174.47 1dji s VAL 733 N -0.40 5.22 -0.38 -0.90 1.01 0.19 -1.35 120.40 123.79 1dji s VAL 733 Ca 0.07 -0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 1dji s VAL 733 Cb -0.12 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.50 1dji s VAL 733 CO 0.02 -0.05 0.93 -1.00 0.00 0.00 0.00 175.10 175.01 1dji s HIS 734 N 1.90 3.06 0.25 5.22 3.76 -1.26 -1.46 115.29 126.77 1dji s HIS 734 Ca 0.10 0.74 -0.30 0.00 -0.15 0.00 0.00 55.06 55.45 1dji s HIS 734 Cb -0.17 -3.69 -0.09 0.00 1.11 0.00 0.00 32.58 29.74 1dji s HIS 734 CO 0.11 -0.86 1.07 -0.51 -0.85 0.00 0.00 174.74 173.71 1dji s LEU 735 N 3.52 4.56 0.21 0.89 1.43 -0.83 -4.71 118.68 123.75 1dji s LEU 735 Ca 0.38 2.19 0.09 0.00 -1.03 0.00 0.00 54.13 55.76 1dji s LEU 735 Cb -0.12 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 1dji s LEU 735 CO 0.20 -0.11 -0.05 -0.76 0.23 0.00 0.00 176.35 175.85 1dji s LEU 736 N -1.20 3.09 0.78 1.79 1.43 0.14 -1.66 118.68 123.05 1dji s LEU 736 Ca 0.45 -0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 52.86 1dji s LEU 736 Cb -0.31 -1.71 0.07 0.00 0.03 0.00 0.00 46.19 44.28 1dji s LEU 736 CO 0.38 0.07 1.13 -0.94 0.23 0.00 0.00 176.35 177.22 1dji s SER 737 N -3.13 4.60 0.36 2.29 1.04 0.86 -0.97 113.70 118.76 1dji s SER 737 Ca 0.27 0.69 0.17 0.00 0.48 0.00 0.00 55.95 57.56 1dji s SER 737 Cb -0.08 -1.23 1.10 0.00 0.10 0.00 0.00 66.02 65.91 1dji s SER 737 CO 0.17 -1.81 1.69 0.50 0.98 0.00 0.00 173.24 174.77 1dji h LYS 738 N -0.92 0.34 -0.60 4.02 3.64 -1.89 0.39 116.57 121.54 1dji h LYS 738 Ca -0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1dji h LYS 738 Cb 1.33 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1dji h LYS 738 CO 0.64 0.23 0.00 0.09 -2.27 0.00 0.00 179.45 178.14 1dji n ASN 739 N -4.89 2.91 0.00 4.20 3.02 -1.26 -4.51 115.26 114.73 1dji n ASN 739 Ca 0.30 -2.27 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 1dji n ASN 739 Cb 0.98 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 1dji n ASN 739 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dji n GLY 740 N 0.70 0.47 3.81 7.41 0.00 0.14 -5.01 105.19 112.71 1dji n GLY 740 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1dji n GLY 740 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dji s ASP 741 N -2.17 6.46 0.28 1.61 1.01 -1.25 -4.71 116.67 117.90 1dji s ASP 741 Ca 0.00 1.80 -0.29 0.00 0.71 0.00 0.00 52.55 54.77 1dji s ASP 741 Cb 0.00 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.29 1dji s ASP 741 CO 0.00 -0.70 1.04 -1.10 0.21 0.00 0.00 175.17 174.62 1dji s GLN 742 N -3.47 4.66 -0.46 8.23 -1.52 -1.26 -0.10 119.66 125.74 1dji s GLN 742 Ca 0.64 1.67 -0.10 0.00 -1.95 0.00 0.00 55.36 55.62 1dji s GLN 742 Cb -0.13 -3.14 0.11 0.00 -0.22 0.00 0.00 33.01 29.62 1dji s GLN 742 CO 0.22 0.28 0.33 -1.01 -0.25 0.00 0.00 175.29 174.86 1dji s HIS 743 N -1.23 3.38 0.29 0.91 3.76 -0.66 -4.86 115.29 116.87 1dji s HIS 743 Ca 0.45 -1.68 0.02 0.00 -0.15 0.00 0.00 55.06 53.70 1dji s HIS 743 Cb -0.29 -3.34 0.71 0.00 1.11 0.00 0.00 32.58 30.78 1dji s HIS 743 CO 0.36 -0.94 1.44 -0.35 -0.85 0.00 0.00 174.74 174.40 1dji n PRO 744 N 4.95 -0.07 -0.01 8.40 -0.04 -1.26 -2.56 135.00 144.41 1dji n PRO 744 Ca -0.09 1.37 0.01 0.00 -0.04 0.00 0.00 63.50 64.74 1dji n PRO 744 Cb 0.41 -2.18 0.01 0.00 -0.04 0.00 0.00 33.50 31.70 1dji n PRO 744 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1dji n SER 745 N -5.34 1.39 -4.60 3.54 7.64 -1.26 -4.98 113.62 110.01 1dji n SER 745 Ca 0.22 -1.32 -0.42 0.00 1.01 0.00 0.00 58.87 58.35 1dji n SER 745 Cb 0.72 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.86 1dji n SER 745 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dji s ALA 746 N -0.36 3.47 0.17 -0.43 0.00 -1.06 -4.37 121.76 119.18 1dji s ALA 746 Ca 0.02 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.48 1dji s ALA 746 Cb 0.01 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1dji s ALA 746 CO 0.02 -1.40 0.06 0.95 0.00 0.00 0.00 175.76 175.39 1dji s THR 747 N 3.14 0.28 -0.04 0.00 -4.23 -0.91 -1.96 115.64 111.92 1dji s THR 747 Ca 0.34 -1.96 0.05 0.00 -1.18 0.00 0.00 61.69 58.95 1dji s THR 747 Cb -0.13 -2.23 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 1dji s THR 747 CO 0.15 -0.32 -0.21 -0.76 -0.54 0.00 0.00 174.62 172.95 1dji s LEU 748 N -3.13 2.00 -0.21 4.79 1.43 -0.53 -1.20 118.68 121.81 1dji s LEU 748 Ca 0.29 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.90 1dji s LEU 748 Cb 0.07 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 1dji s LEU 748 CO 0.06 0.21 0.09 0.12 0.23 0.00 0.00 176.35 177.06 1dji s PHE 749 N -0.17 3.23 0.24 0.29 5.36 0.29 0.54 117.98 127.76 1dji s PHE 749 Ca -0.00 0.02 0.01 0.00 -0.96 0.00 0.00 56.93 55.99 1dji s PHE 749 Cb -0.11 -2.16 -0.04 0.00 -0.34 0.00 0.00 43.02 40.37 1dji s PHE 749 CO 0.02 0.03 0.14 0.14 -1.46 0.00 0.00 175.22 174.09 1dji s VAL 750 N 0.80 0.14 -0.16 3.12 -7.23 0.80 -1.57 120.40 116.30 1dji s VAL 750 Ca 0.05 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 1dji s VAL 750 Cb -0.13 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.32 1dji s VAL 750 CO 0.02 0.00 -0.03 -0.75 -0.31 0.00 0.00 175.10 174.03 1dji s LYS 751 N -4.02 1.22 -0.57 4.82 2.20 -0.88 -0.56 119.74 121.95 1dji s LYS 751 Ca 0.39 -0.43 -0.04 0.00 -0.36 0.00 0.00 55.97 55.52 1dji s LYS 751 Cb 0.06 -1.90 0.15 0.00 -1.51 0.00 0.00 37.83 34.63 1dji s LYS 751 CO 0.15 -0.45 0.39 0.42 -0.36 0.00 0.00 175.35 175.50 1dji s ILE 752 N 1.70 3.79 -0.14 5.43 1.01 -0.66 -1.48 121.20 130.86 1dji s ILE 752 Ca 0.01 -2.56 -0.06 0.00 0.00 0.00 0.00 60.65 58.03 1dji s ILE 752 Cb -0.15 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1dji s ILE 752 CO -0.07 -0.83 0.07 -0.55 0.00 0.00 0.00 174.94 173.56 1dji s SER 753 N 1.31 5.79 -0.17 3.58 0.15 0.80 -3.17 113.70 121.99 1dji s SER 753 Ca 0.13 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1dji s SER 753 Cb -0.21 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 1dji s SER 753 CO -0.04 0.29 -0.15 -0.63 1.20 0.00 0.00 173.24 173.91 1dji s ILE 754 N -0.33 2.60 0.06 6.45 1.01 -1.26 -0.12 121.20 129.61 1dji s ILE 754 Ca 0.09 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1dji s ILE 754 Cb -0.12 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 1dji s ILE 754 CO 0.02 0.51 0.05 0.00 0.00 0.00 0.00 174.94 175.52 1dji n GLN 755 N 4.24 0.19 0.00 2.79 10.64 -0.15 -4.96 117.38 130.13 1dji n GLN 755 Ca -0.19 -0.63 0.12 0.00 -1.83 0.00 0.00 57.00 54.47 1dji n GLN 755 Cb 0.51 0.49 0.16 0.00 -0.86 0.00 0.00 30.24 30.55 1dji n GLN 755 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98