#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgu h PRO 163 N 0.00 0.00 0.18 1.20 0.13 -2.04 -3.37 132.00 128.10 1rgu h PRO 163 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.80 1rgu h PRO 163 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1rgu h PRO 163 CO 0.00 0.00 -1.63 0.74 -0.23 0.00 0.00 178.00 176.88 1rgu h PHE 164 N 0.00 0.68 -5.23 1.56 0.04 -1.99 -3.48 116.94 108.52 1rgu h PHE 164 Ca 0.00 -0.49 -0.41 0.00 2.80 0.00 0.00 57.97 59.87 1rgu h PHE 164 Cb 0.76 -0.03 0.06 0.00 2.20 0.00 0.00 35.95 38.95 1rgu h PHE 164 CO 0.00 1.64 -0.64 1.04 -0.60 0.00 0.00 178.31 179.74 1rgu n GLN 165 N -3.70 -5.83 -3.73 1.51 1.13 -1.26 -4.82 117.38 100.68 1rgu n GLN 165 Ca -0.24 0.81 -0.37 0.00 -1.94 0.00 0.00 57.00 55.26 1rgu n GLN 165 Cb 1.03 -5.72 -0.11 0.00 0.11 0.00 0.00 30.24 25.55 1rgu n GLN 165 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1rgu s PHE 166 N -3.22 3.22 0.20 1.08 2.19 -1.26 -1.69 117.98 118.50 1rgu s PHE 166 Ca 0.45 -0.00 0.06 0.00 0.33 0.00 0.00 56.93 57.76 1rgu s PHE 166 Cb -0.21 -2.25 -0.05 0.00 -1.31 0.00 0.00 43.02 39.20 1rgu s PHE 166 CO 0.55 -0.09 -0.10 0.71 1.83 0.00 0.00 175.22 178.13 1rgu s TYR 167 N 1.26 1.56 0.25 10.12 1.51 -0.26 -4.98 117.35 126.82 1rgu s TYR 167 Ca 0.06 -0.71 0.07 0.00 -1.01 0.00 0.00 57.07 55.48 1rgu s TYR 167 Cb -0.14 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 1rgu s TYR 167 CO 0.05 0.19 0.18 -0.51 -1.11 0.00 0.00 175.55 174.35 1rgu s LEU 168 N -3.28 3.78 0.56 -1.29 1.43 -1.26 -0.61 118.68 118.02 1rgu s LEU 168 Ca 0.22 -0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 52.93 1rgu s LEU 168 Cb 0.02 -2.32 -0.06 0.00 0.03 0.00 0.00 46.19 43.86 1rgu s LEU 168 CO 0.06 -0.03 1.00 0.42 0.23 0.00 0.00 176.35 178.02 1rgu s THR 169 N -2.12 4.64 0.38 5.49 -4.23 -1.01 -0.98 115.64 117.81 1rgu s THR 169 Ca 0.33 1.01 -0.28 0.00 -1.18 0.00 0.00 61.69 61.57 1rgu s THR 169 Cb -0.08 -3.80 -0.10 0.00 1.34 0.00 0.00 72.50 69.86 1rgu s THR 169 CO 0.25 -0.91 1.45 -0.60 -0.54 0.00 0.00 174.62 174.26 1rgu s ARG 170 N -4.62 4.07 -0.18 3.99 3.52 -0.90 -4.60 118.95 120.22 1rgu s ARG 170 Ca 0.56 2.48 0.01 0.00 -0.13 0.00 0.00 55.73 58.66 1rgu s ARG 170 Cb -0.10 -2.92 0.02 0.00 -1.56 0.00 0.00 34.95 30.39 1rgu s ARG 170 CO 0.43 -0.53 -0.19 0.08 -0.81 0.00 0.00 175.30 174.28 1rgu s VAL 171 N -1.14 2.04 0.02 7.11 1.01 -1.26 -4.59 120.40 123.59 1rgu s VAL 171 Ca 0.54 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 1rgu s VAL 171 Cb -0.45 -1.87 -0.07 0.00 0.00 0.00 0.00 36.38 34.00 1rgu s VAL 171 CO 0.60 0.48 1.53 -0.44 0.00 0.00 0.00 175.10 177.27 1rgu s SER 172 N 1.29 6.73 0.00 3.32 0.01 -0.33 -3.42 113.70 121.30 1rgu s SER 172 Ca 0.04 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.58 1rgu s SER 172 Cb -0.14 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1rgu s SER 172 CO -0.12 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.33 1rgu n GLY 173 N 3.83 3.41 3.63 3.44 0.00 -1.26 -4.84 105.19 113.40 1rgu n GLY 173 Ca 0.15 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 1rgu n GLY 173 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rgu n VAL 174 N 0.00 2.35 -1.73 1.61 0.24 -1.22 -4.94 118.33 114.64 1rgu n VAL 174 Ca 0.00 -0.30 -0.40 0.00 -2.04 0.00 0.00 64.34 61.61 1rgu n VAL 174 Cb 0.00 -1.11 0.03 0.00 -1.47 0.00 0.00 33.84 31.28 1rgu n VAL 174 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1rgu n LYS 175 N -2.42 1.89 -0.18 7.34 5.02 -1.26 -4.88 118.16 123.66 1rgu n LYS 175 Ca 0.13 0.68 0.26 0.00 -2.02 0.00 0.00 58.31 57.36 1rgu n LYS 175 Cb 0.50 -2.51 0.67 0.00 -0.02 0.00 0.00 35.03 33.68 1rgu n LYS 175 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1rgu h PRO 176 N 1.84 0.09 0.00 1.97 0.11 -1.97 0.04 132.00 134.08 1rgu h PRO 176 Ca -0.50 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1rgu h PRO 176 Cb 1.29 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1rgu h PRO 176 CO 0.59 0.06 -0.04 1.57 -0.21 0.00 0.00 178.00 179.97 1rgu h LYS 177 N 0.10 0.00 -0.01 1.05 2.10 -2.01 0.94 116.57 118.73 1rgu h LYS 177 Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 1rgu h LYS 177 Cb 1.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.87 1rgu h LYS 177 CO -0.05 0.04 -0.16 0.66 -2.00 0.00 0.00 179.45 177.94 1rgu n TYR 178 N -3.79 0.00 0.49 0.07 4.01 -0.00 -3.76 117.16 114.17 1rgu n TYR 178 Ca -0.03 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.76 1rgu n TYR 178 Cb 0.13 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 1rgu n TYR 178 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1rgu n ASN 179 N -0.48 0.92 -0.22 7.72 3.02 0.22 -4.76 115.26 121.67 1rgu n ASN 179 Ca 0.15 -0.96 -0.05 0.00 -0.03 0.00 0.00 54.58 53.68 1rgu n ASN 179 Cb 0.33 0.71 0.10 0.00 -0.61 0.00 0.00 39.78 40.32 1rgu n ASN 179 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1rgu h SER 180 N 0.66 0.98 -0.69 6.41 4.64 -1.35 -1.56 113.55 122.64 1rgu h SER 180 Ca 0.00 -0.19 -0.28 0.00 -0.47 0.00 0.00 61.79 60.85 1rgu h SER 180 Cb 0.31 -0.26 -0.17 0.00 -0.31 0.00 0.00 62.40 61.98 1rgu h SER 180 CO 0.00 0.93 0.29 0.61 -0.87 0.00 0.00 176.83 177.79 1rgu n GLY 181 N -0.77 4.20 3.90 -0.77 0.00 -1.26 -4.99 105.19 105.50 1rgu n GLY 181 Ca 0.05 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 1rgu n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgu s ALA 182 N -3.12 3.92 -0.06 4.61 0.00 -0.59 -4.58 121.76 121.94 1rgu s ALA 182 Ca 0.52 -1.53 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1rgu s ALA 182 Cb 0.44 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 22.19 1rgu s ALA 182 CO 0.10 0.05 -0.11 -0.51 0.00 0.00 0.00 175.76 175.29 1rgu s LEU 183 N -4.02 1.62 0.38 0.00 1.43 -0.16 -4.72 118.68 113.22 1rgu s LEU 183 Ca 0.40 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.20 1rgu s LEU 183 Cb -0.07 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 1rgu s LEU 183 CO 0.28 0.03 0.63 -2.28 0.23 0.00 0.00 176.35 175.23 1rgu s HIS 184 N 0.66 3.51 0.45 0.29 5.65 -1.26 -2.12 115.29 122.47 1rgu s HIS 184 Ca -0.14 0.56 0.15 0.00 0.25 0.00 0.00 55.06 55.89 1rgu s HIS 184 Cb -0.15 -2.07 1.08 0.00 -1.18 0.00 0.00 32.58 30.25 1rgu s HIS 184 CO 0.03 0.00 2.00 0.97 -0.65 0.00 0.00 174.74 177.09 1rgu h ILE 185 N 0.71 0.90 -0.56 0.89 2.10 -1.96 -0.72 117.51 118.87 1rgu h ILE 185 Ca -0.48 -0.12 -0.00 0.00 1.08 0.00 0.00 64.86 65.34 1rgu h ILE 185 Cb 1.21 0.53 -0.03 0.00 -1.09 0.00 0.00 36.82 37.44 1rgu h ILE 185 CO 0.62 0.06 0.34 0.11 -1.08 0.00 0.00 178.15 178.21 1rgu h LYS 186 N 0.34 0.75 -0.25 2.19 1.57 -1.95 -1.82 116.57 117.41 1rgu h LYS 186 Ca 0.25 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1rgu h LYS 186 Cb 0.52 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1rgu h LYS 186 CO -0.06 0.53 0.09 -0.44 -0.57 0.00 0.00 179.45 179.00 1rgu h ASP 187 N 0.77 0.35 -0.10 0.86 3.32 -1.48 -2.48 116.42 117.66 1rgu h ASP 187 Ca 0.20 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1rgu h ASP 187 Cb -0.03 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1rgu h ASP 187 CO -0.04 0.44 0.00 0.40 -1.72 0.00 0.00 179.24 178.33 1rgu h ILE 188 N 0.24 1.12 -0.06 0.35 2.04 -1.04 -2.20 117.51 117.97 1rgu h ILE 188 Ca 0.08 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1rgu h ILE 188 Cb 0.21 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1rgu h ILE 188 CO -0.00 0.16 0.00 0.18 0.00 0.00 0.00 178.15 178.48 1rgu n LEU 189 N -4.38 2.55 -4.76 1.44 4.77 -0.75 -4.79 117.00 111.08 1rgu n LEU 189 Ca -0.00 -0.88 -0.34 0.00 -0.03 0.00 0.00 56.01 54.76 1rgu n LEU 189 Cb 0.18 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1rgu n LEU 189 CO 0.36 0.44 0.77 -0.94 -1.33 0.00 0.00 177.39 176.70 1rgu s SER 190 N -1.95 4.95 0.59 -1.43 1.04 -0.83 -4.54 113.70 111.53 1rgu s SER 190 Ca 0.32 2.16 0.29 0.00 0.48 0.00 0.00 55.95 59.19 1rgu s SER 190 Cb 0.20 -2.57 1.51 0.00 0.10 0.00 0.00 66.02 65.27 1rgu s SER 190 CO 0.31 -1.74 1.94 1.55 0.98 0.00 0.00 173.24 176.28 1rgu h PRO 191 N 0.18 0.00 0.00 4.02 0.13 -1.91 -0.08 132.00 134.35 1rgu h PRO 191 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1rgu h PRO 191 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1rgu h PRO 191 CO 0.53 0.00 -0.10 -0.07 -0.23 0.00 0.00 178.00 178.13 1rgu h LEU 192 N 0.00 0.00 0.00 1.56 3.38 -1.92 -2.09 115.31 116.25 1rgu h LEU 192 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1rgu h LEU 192 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1rgu h LEU 192 CO -0.00 0.10 -0.45 -0.26 0.09 0.00 0.00 178.44 177.91 1rgu h PHE 193 N 0.00 0.00 0.00 1.13 -1.00 -1.30 -3.49 116.94 112.28 1rgu h PHE 193 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1rgu h PHE 193 Cb 0.31 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.87 1rgu h PHE 193 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1rgu n GLY 194 N 1.20 3.66 3.50 -1.45 0.00 -0.78 -5.03 105.19 106.28 1rgu n GLY 194 Ca 0.03 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 1rgu n GLY 194 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rgu s THR 195 N -2.00 4.30 0.29 2.61 2.01 -1.26 -4.36 115.64 117.23 1rgu s THR 195 Ca 0.00 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 1rgu s THR 195 Cb 0.00 -4.63 -0.11 0.00 0.01 0.00 0.00 72.50 67.77 1rgu s THR 195 CO 0.00 -1.32 1.51 -0.22 -0.69 0.00 0.00 174.62 173.90 1rgu s LEU 196 N 4.17 4.36 -0.05 4.42 2.96 -1.26 -0.82 118.68 132.45 1rgu s LEU 196 Ca 0.28 2.86 0.02 0.00 -0.22 0.00 0.00 54.13 57.07 1rgu s LEU 196 Cb -0.14 -3.64 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 1rgu s LEU 196 CO 0.15 -0.82 -0.02 0.52 -1.32 0.00 0.00 176.35 174.86 1rgu n VAL 197 N 1.86 0.33 -3.57 1.68 0.31 0.20 -4.82 118.33 114.32 1rgu n VAL 197 Ca 0.06 -0.16 -0.09 0.00 -0.01 0.00 0.00 64.34 64.14 1rgu n VAL 197 Cb 0.39 -0.78 -0.04 0.00 -0.91 0.00 0.00 33.84 32.49 1rgu n VAL 197 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1rgu s SER 198 N -4.14 -0.32 0.00 4.52 0.15 -0.97 -4.24 113.70 108.69 1rgu s SER 198 Ca -0.06 0.27 -0.11 0.00 0.70 0.00 0.00 55.95 56.76 1rgu s SER 198 Cb 0.02 0.28 0.01 0.00 -1.71 0.00 0.00 66.02 64.61 1rgu s SER 198 CO 0.16 -0.35 0.22 -0.94 1.20 0.00 0.00 173.24 173.54 1rgu s SER 199 N -1.40 -0.07 -0.11 5.45 1.04 -0.84 -0.38 113.70 117.40 1rgu s SER 199 Ca 0.01 -0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.36 1rgu s SER 199 Cb -0.01 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.39 1rgu s SER 199 CO -0.01 -0.44 -0.21 0.00 0.98 0.00 0.00 173.24 173.56 1rgu s ALA 200 N -1.57 2.00 -0.36 5.32 0.00 0.70 -0.78 121.76 127.07 1rgu s ALA 200 Ca -0.13 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 1rgu s ALA 200 Cb -0.05 -0.83 0.08 0.00 0.00 0.00 0.00 23.12 22.31 1rgu s ALA 200 CO 0.02 0.14 0.11 -0.65 0.00 0.00 0.00 175.76 175.38 1rgu s GLN 201 N 0.59 2.27 -0.14 0.00 -1.52 0.18 -0.68 119.66 120.36 1rgu s GLN 201 Ca -0.14 -1.50 -0.22 0.00 -1.95 0.00 0.00 55.36 51.55 1rgu s GLN 201 Cb -0.17 -3.42 -0.03 0.00 -0.22 0.00 0.00 33.01 29.18 1rgu s GLN 201 CO 0.04 -0.84 0.65 -0.06 -0.25 0.00 0.00 175.29 174.84 1rgu s PHE 202 N 1.23 3.47 0.24 0.91 0.40 0.10 -0.65 117.98 123.68 1rgu s PHE 202 Ca 0.02 1.07 -0.15 0.00 -0.60 0.00 0.00 56.93 57.26 1rgu s PHE 202 Cb -0.21 -2.79 0.06 0.00 0.51 0.00 0.00 43.02 40.59 1rgu s PHE 202 CO -0.02 -0.04 0.75 -1.71 0.70 0.00 0.00 175.22 174.90 1rgu n ASN 203 N 4.43 -1.67 -0.10 1.36 2.85 -0.73 -1.66 115.26 119.74 1rgu n ASN 203 Ca -0.02 -2.03 -0.14 0.00 -0.11 0.00 0.00 54.58 52.28 1rgu n ASN 203 Cb 0.50 2.75 -0.05 0.00 1.24 0.00 0.00 39.78 44.23 1rgu n ASN 203 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rgu n TYR 204 N -0.52 0.07 -4.90 1.20 9.36 -1.24 -4.40 117.16 116.74 1rgu n TYR 204 Ca -0.05 0.03 -0.33 0.00 3.32 0.00 0.00 57.90 60.88 1rgu n TYR 204 Cb 0.48 -0.65 -0.13 0.00 -0.63 0.00 0.00 39.34 38.41 1rgu n TYR 204 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1rgu s PHE 206 N -0.55 1.09 -0.35 0.00 0.40 -1.26 -1.07 117.98 116.24 1rgu s PHE 206 Ca 0.08 -0.23 -0.00 0.00 -0.60 0.00 0.00 56.93 56.17 1rgu s PHE 206 Cb -0.11 -0.72 0.09 0.00 0.51 0.00 0.00 43.02 42.78 1rgu s PHE 206 CO 0.01 -0.05 0.09 0.34 0.70 0.00 0.00 175.22 176.32 1rgu s ASP 207 N -0.14 4.98 0.08 1.36 -1.08 0.24 -4.95 116.67 117.16 1rgu s ASP 207 Ca 0.02 -1.86 -0.17 0.00 -0.52 0.00 0.00 52.55 50.02 1rgu s ASP 207 Cb -0.06 -1.73 -0.11 0.00 -1.46 0.00 0.00 42.92 39.56 1rgu s ASP 207 CO -0.00 -0.41 1.38 0.58 0.52 0.00 0.00 175.17 177.24 1rgu h VAL 208 N 6.49 1.32 -0.71 1.11 2.07 -1.89 0.83 116.25 125.46 1rgu h VAL 208 Ca -0.13 -1.43 0.12 0.00 0.82 0.00 0.00 66.70 66.09 1rgu h VAL 208 Cb 1.04 1.72 -0.08 0.00 -1.52 0.00 0.00 31.29 32.45 1rgu h VAL 208 CO 0.59 0.44 0.30 0.44 0.02 0.00 0.00 177.57 179.36 1rgu h ASP 209 N 0.27 0.31 -0.26 0.57 3.45 -1.95 -1.95 116.42 116.85 1rgu h ASP 209 Ca 0.03 0.09 -0.15 0.00 0.43 0.00 0.00 57.03 57.44 1rgu h ASP 209 Cb 0.81 0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 39.64 1rgu h ASP 209 CO 0.06 0.15 -0.40 -0.25 -1.57 0.00 0.00 179.24 177.22 1rgu h TRP 210 N 0.47 0.91 -0.08 4.55 7.01 -1.82 -3.24 115.95 123.75 1rgu h TRP 210 Ca 0.38 -0.31 0.02 0.00 2.11 0.00 0.00 58.89 61.09 1rgu h TRP 210 Cb 0.51 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.38 1rgu h TRP 210 CO -0.15 1.09 -0.04 1.25 -2.79 0.00 0.00 178.44 177.80 1rgu h LEU 211 N 0.47 -0.12 -1.06 0.65 5.85 -0.53 -2.02 115.31 118.55 1rgu h LEU 211 Ca 0.02 0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.92 1rgu h LEU 211 Cb 1.00 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.01 1rgu h LEU 211 CO 0.09 -0.05 0.62 0.58 -0.34 0.00 0.00 178.44 179.34 1rgu h VAL 212 N -0.03 0.84 0.00 1.05 2.07 -1.48 0.71 116.25 119.41 1rgu h VAL 212 Ca 0.04 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1rgu h VAL 212 Cb 0.10 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 1rgu h VAL 212 CO -0.10 0.16 0.00 0.29 0.02 0.00 0.00 177.57 177.94 1rgu n LYS 213 N -4.65 0.18 0.15 1.57 5.02 -0.78 -2.22 118.16 117.44 1rgu n LYS 213 Ca 0.20 0.45 0.07 0.00 -2.02 0.00 0.00 58.31 57.01 1rgu n LYS 213 Cb 0.44 -1.87 0.07 0.00 -0.02 0.00 0.00 35.03 33.64 1rgu n LYS 213 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1rgu h GLN 214 N 0.00 0.00 -6.85 1.97 1.08 -0.60 -3.44 115.11 107.26 1rgu h GLN 214 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 1rgu h GLN 214 Cb 0.32 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1rgu h GLN 214 CO 0.00 0.21 0.44 0.71 -0.95 0.00 0.00 178.83 179.24 1rgu s TYR 215 N -3.11 3.52 0.53 2.96 1.51 -0.94 -4.40 117.35 117.41 1rgu s TYR 215 Ca 0.04 1.70 -0.22 0.00 -1.01 0.00 0.00 57.07 57.58 1rgu s TYR 215 Cb 0.07 -3.20 -0.06 0.00 -0.11 0.00 0.00 41.96 38.65 1rgu s TYR 215 CO 0.73 -0.47 1.26 -2.30 -1.11 0.00 0.00 175.55 173.65 1rgu n PRO 216 N 0.82 1.58 -0.30 -1.71 -0.02 -1.26 -4.76 135.00 129.34 1rgu n PRO 216 Ca 0.01 0.58 0.14 0.00 -2.02 0.00 0.00 63.50 62.21 1rgu n PRO 216 Cb 0.46 -2.44 0.31 0.00 -0.02 0.00 0.00 33.50 31.81 1rgu n PRO 216 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1rgu h PRO 217 N 1.39 0.24 0.00 0.52 0.11 -1.93 0.29 132.00 132.63 1rgu h PRO 217 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1rgu h PRO 217 Cb 1.31 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1rgu h PRO 217 CO 0.56 0.16 0.00 1.05 -0.21 0.00 0.00 178.00 179.56 1rgu h GLU 218 N 0.25 0.00 -0.02 1.05 9.09 -2.02 -2.85 114.58 120.08 1rgu h GLU 218 Ca 0.57 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.98 1rgu h GLU 218 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1rgu h GLU 218 CO -0.63 0.00 -0.02 1.19 0.05 0.00 0.00 179.01 179.60 1rgu n PHE 219 N -2.80 0.00 0.34 2.06 3.72 1.00 -4.65 117.46 117.13 1rgu n PHE 219 Ca -0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 1rgu n PHE 219 Cb 0.19 0.00 0.45 0.00 -0.94 0.00 0.00 39.48 39.18 1rgu n PHE 219 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1rgu n ARG 220 N 0.81 0.14 0.00 -1.08 1.74 -0.97 -2.10 116.66 115.20 1rgu n ARG 220 Ca 0.09 0.45 0.09 0.00 -0.77 0.00 0.00 57.85 57.71 1rgu n ARG 220 Cb 0.38 -1.81 -0.01 0.00 -1.02 0.00 0.00 32.46 30.00 1rgu n ARG 220 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1rgu n LYS 221 N -2.08 1.46 -1.88 5.56 5.02 -1.26 -4.98 118.16 119.99 1rgu n LYS 221 Ca 0.01 -0.88 -0.36 0.00 -2.02 0.00 0.00 58.31 55.06 1rgu n LYS 221 Cb 0.17 -1.37 0.05 0.00 -0.02 0.00 0.00 35.03 33.86 1rgu n LYS 221 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1rgu s LYS 222 N -2.18 2.77 0.22 1.97 -0.14 -0.89 -4.74 119.74 116.75 1rgu s LYS 222 Ca 0.15 1.93 -0.32 0.00 -1.36 0.00 0.00 55.97 56.38 1rgu s LYS 222 Cb 0.15 -1.89 -0.13 0.00 -1.68 0.00 0.00 37.83 34.28 1rgu s LYS 222 CO 0.49 -1.39 1.55 -2.30 -0.76 0.00 0.00 175.35 172.93 1rgu n PRO 223 N -1.76 2.33 -5.20 -1.68 -0.02 -1.26 -4.86 135.00 122.55 1rgu n PRO 223 Ca 0.15 0.83 -0.32 0.00 -2.02 0.00 0.00 63.50 62.14 1rgu n PRO 223 Cb 0.49 -2.58 -0.17 0.00 -0.02 0.00 0.00 33.50 31.22 1rgu n PRO 223 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1rgu s ILE 224 N 0.45 2.03 -0.22 4.25 1.01 -0.41 -1.98 121.20 126.33 1rgu s ILE 224 Ca 0.72 -1.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.29 1rgu s ILE 224 Cb -0.60 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 1rgu s ILE 224 CO 0.43 0.55 0.07 -0.22 0.00 0.00 0.00 174.94 175.78 1rgu s LEU 225 N 0.32 3.67 -0.30 2.97 2.96 0.04 -1.48 118.68 126.85 1rgu s LEU 225 Ca -0.18 -0.04 -0.13 0.00 -0.22 0.00 0.00 54.13 53.56 1rgu s LEU 225 Cb -0.18 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 1rgu s LEU 225 CO 0.08 0.07 0.28 -0.76 -1.32 0.00 0.00 176.35 174.71 1rgu s LEU 226 N 0.98 4.22 -0.33 -0.68 1.43 -0.29 0.47 118.68 124.48 1rgu s LEU 226 Ca 0.04 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 1rgu s LEU 226 Cb -0.14 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 1rgu s LEU 226 CO 0.03 -0.18 0.18 -0.69 0.23 0.00 0.00 176.35 175.92 1rgu s VAL 227 N 1.88 4.79 0.35 -1.59 1.01 0.18 -0.37 120.40 126.65 1rgu s VAL 227 Ca 0.10 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.73 1rgu s VAL 227 Cb -0.16 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1rgu s VAL 227 CO 0.11 0.02 0.19 0.00 0.00 0.00 0.00 175.10 175.42 1rgu n HIS 228 N 5.02 -0.25 -0.78 5.22 -0.00 -0.44 -1.77 115.22 122.21 1rgu n HIS 228 Ca -0.13 -2.54 0.02 0.00 -0.00 0.00 0.00 57.72 55.07 1rgu n HIS 228 Cb 0.49 0.12 0.03 0.00 -0.00 0.00 0.00 29.99 30.63 1rgu n HIS 228 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1rgu n GLY 229 N -0.62 1.68 3.75 -1.39 0.00 -1.26 -0.14 105.19 107.21 1rgu n GLY 229 Ca 0.00 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1rgu n GLY 229 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rgu s ASP 230 N -1.21 5.44 0.07 1.61 1.11 -1.26 -4.81 116.67 117.61 1rgu s ASP 230 Ca 0.08 2.57 0.05 0.00 0.18 0.00 0.00 52.55 55.43 1rgu s ASP 230 Cb 0.07 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.41 1rgu s ASP 230 CO 0.01 -1.44 -0.15 -0.54 1.18 0.00 0.00 175.17 174.23 1rgu s LYS 231 N -2.96 0.87 7.15 8.23 1.02 -1.26 -4.51 119.74 128.28 1rgu s LYS 231 Ca 0.71 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.78 1rgu s LYS 231 Cb -0.35 -0.90 0.00 0.00 -0.52 0.00 0.00 37.83 36.05 1rgu s LYS 231 CO 0.41 0.21 0.00 0.54 -0.92 0.00 0.00 175.35 175.59 1rgu n ARG 232 N 1.42 0.00 -0.07 1.68 1.74 -1.26 -2.76 116.66 117.41 1rgu n ARG 232 Ca -0.20 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.73 1rgu n ARG 232 Cb 0.54 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.93 1rgu n ARG 232 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1rgu h GLU 233 N 0.00 0.79 -0.50 5.56 3.07 -1.98 -1.57 114.58 119.94 1rgu h GLU 233 Ca 0.00 -0.50 -0.03 0.00 -0.50 0.00 0.00 59.36 58.33 1rgu h GLU 233 Cb 0.00 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 1rgu h GLU 233 CO 0.00 1.13 0.21 0.00 -1.40 0.00 0.00 179.01 178.95 1rgu h ALA 234 N 0.65 0.65 -0.45 3.43 0.00 -1.91 -0.51 119.26 121.12 1rgu h ALA 234 Ca 0.01 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1rgu h ALA 234 Cb 1.09 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 1rgu h ALA 234 CO 0.11 0.25 0.06 -0.22 0.00 0.00 0.00 179.25 179.45 1rgu h LYS 235 N 0.67 0.18 -0.94 0.00 3.64 -1.48 0.19 116.57 118.83 1rgu h LYS 235 Ca 0.17 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1rgu h LYS 235 Cb 0.18 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 1rgu h LYS 235 CO -0.02 0.12 0.62 0.00 -2.27 0.00 0.00 179.45 177.91 1rgu h ALA 236 N 1.37 1.38 -0.41 5.00 0.00 -0.75 0.58 119.26 126.42 1rgu h ALA 236 Ca 0.23 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1rgu h ALA 236 Cb 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1rgu h ALA 236 CO -0.32 0.54 -0.29 0.45 0.00 0.00 0.00 179.25 179.63 1rgu h HIS 237 N 1.21 1.09 -0.42 0.00 3.86 -0.24 -1.66 115.15 119.00 1rgu h HIS 237 Ca 0.37 -0.30 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1rgu h HIS 237 Cb -0.03 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.18 1rgu h HIS 237 CO -0.00 1.11 0.19 1.25 0.86 0.00 0.00 177.93 181.34 1rgu h LEU 238 N 0.75 0.57 -0.63 2.43 5.85 -0.40 -0.57 115.31 123.31 1rgu h LEU 238 Ca 0.08 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1rgu h LEU 238 Cb 0.88 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1rgu h LEU 238 CO 0.08 0.55 0.37 0.45 -0.34 0.00 0.00 178.44 179.55 1rgu h HIS 239 N 0.54 0.85 -0.16 1.25 3.86 -0.86 -2.00 115.15 118.63 1rgu h HIS 239 Ca 0.14 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1rgu h HIS 239 Cb 0.15 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1rgu h HIS 239 CO -0.01 0.59 -0.02 0.00 0.86 0.00 0.00 177.93 179.36 1rgu h ALA 240 N 1.18 1.68 -0.54 2.45 0.00 -0.95 -0.37 119.26 122.70 1rgu h ALA 240 Ca 0.23 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1rgu h ALA 240 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1rgu h ALA 240 CO -0.04 0.24 -0.12 1.96 0.00 0.00 0.00 179.25 181.29 1rgu h GLN 241 N 0.23 1.04 0.00 0.00 4.20 -0.46 -3.27 115.11 116.84 1rgu h GLN 241 Ca 0.05 -0.40 -0.15 0.00 0.06 0.00 0.00 58.65 58.22 1rgu h GLN 241 Cb 0.19 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1rgu h GLN 241 CO 0.01 1.09 -0.94 0.00 -0.67 0.00 0.00 178.83 178.32 1rgu h ALA 242 N 0.92 0.62 -0.94 3.87 0.00 -0.90 -3.39 119.26 119.44 1rgu h ALA 242 Ca 0.14 -0.71 0.20 0.00 0.00 0.00 0.00 54.91 54.54 1rgu h ALA 242 Cb 0.70 0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.36 1rgu h ALA 242 CO 0.05 0.87 -0.18 -0.22 0.00 0.00 0.00 179.25 179.77 1rgu h LYS 243 N 0.00 0.01 0.00 0.00 3.11 -1.13 0.12 116.57 118.67 1rgu h LYS 243 Ca -0.07 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1rgu h LYS 243 Cb 1.54 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.77 1rgu h LYS 243 CO 0.07 0.00 0.00 -1.35 -2.81 0.00 0.00 179.45 175.36 1rgu h PRO 244 N 0.01 0.00 -4.29 1.90 0.11 -1.79 -3.38 132.00 124.55 1rgu h PRO 244 Ca 0.47 0.00 -0.72 0.00 0.11 0.00 0.00 66.00 65.86 1rgu h PRO 244 Cb 0.78 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.59 1rgu h PRO 244 CO -0.94 0.00 -0.40 0.71 -0.21 0.00 0.00 178.00 177.16 1rgu s TYR 245 N -4.01 3.44 0.54 0.65 2.02 0.41 -4.95 117.35 115.46 1rgu s TYR 245 Ca -0.04 -1.93 0.29 0.00 -0.37 0.00 0.00 57.07 55.02 1rgu s TYR 245 Cb 0.12 -3.48 1.70 0.00 -0.40 0.00 0.00 41.96 39.90 1rgu s TYR 245 CO 0.39 -0.99 2.20 1.49 -1.57 0.00 0.00 175.55 177.07 1rgu h GLU 246 N 8.40 0.00 -0.00 -0.62 4.81 -1.80 -1.31 114.58 124.05 1rgu h GLU 246 Ca -0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1rgu h GLU 246 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1rgu h GLU 246 CO 0.85 0.04 0.00 0.27 -0.73 0.00 0.00 179.01 179.43 1rgu n ASN 247 N -3.81 0.10 -4.55 1.04 6.94 -1.26 -4.82 115.26 108.88 1rgu n ASN 247 Ca -0.03 -1.03 -0.35 0.00 -0.02 0.00 0.00 54.58 53.15 1rgu n ASN 247 Cb 0.13 -0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.44 1rgu n ASN 247 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1rgu s ILE 248 N -2.00 4.52 0.30 1.53 1.01 -0.50 -1.29 121.20 124.77 1rgu s ILE 248 Ca 0.47 -0.12 0.09 0.00 0.00 0.00 0.00 60.65 61.09 1rgu s ILE 248 Cb 0.22 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.59 1rgu s ILE 248 CO 0.37 0.42 0.04 -0.44 0.00 0.00 0.00 174.94 175.33 1rgu s SER 249 N 0.78 4.48 0.05 3.58 0.01 -0.55 -4.95 113.70 117.10 1rgu s SER 249 Ca 0.03 -0.77 0.08 0.00 1.31 0.00 0.00 55.95 56.60 1rgu s SER 249 Cb -0.14 -0.73 -0.03 0.00 0.21 0.00 0.00 66.02 65.34 1rgu s SER 249 CO 0.02 -0.14 -0.24 -0.76 0.41 0.00 0.00 173.24 172.54 1rgu s LEU 250 N -3.73 2.18 -0.16 2.44 1.02 -1.26 -1.14 118.68 118.03 1rgu s LEU 250 Ca 0.34 -0.57 0.00 0.00 0.02 0.00 0.00 54.13 53.92 1rgu s LEU 250 Cb -0.04 -1.13 0.03 0.00 0.02 0.00 0.00 46.19 45.07 1rgu s LEU 250 CO 0.20 0.21 -0.11 0.00 0.02 0.00 0.00 176.35 176.67 1rgu s GLN 252 N 1.52 3.78 0.07 0.00 0.74 -1.26 -1.32 119.66 123.18 1rgu s GLN 252 Ca 0.03 0.27 -0.30 0.00 0.05 0.00 0.00 55.36 55.40 1rgu s GLN 252 Cb -0.14 -3.79 -0.05 0.00 1.10 0.00 0.00 33.01 30.13 1rgu s GLN 252 CO -0.09 -0.75 1.13 0.00 -0.55 0.00 0.00 175.29 175.03 1rgu s ALA 253 N 2.89 3.34 0.19 1.58 0.00 0.80 -4.97 121.76 125.58 1rgu s ALA 253 Ca 0.28 0.78 -0.31 0.00 0.00 0.00 0.00 51.96 52.71 1rgu s ALA 253 Cb -0.14 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 1rgu s ALA 253 CO 0.15 -0.35 1.43 -1.59 0.00 0.00 0.00 175.76 175.40 1rgu s LYS 254 N 0.79 4.29 -0.56 0.00 -2.85 -1.26 -4.64 119.74 115.51 1rgu s LYS 254 Ca 0.56 2.21 0.04 0.00 -1.00 0.00 0.00 55.97 57.78 1rgu s LYS 254 Cb -0.28 -3.17 0.15 0.00 -2.06 0.00 0.00 37.83 32.48 1rgu s LYS 254 CO 0.30 -0.43 0.36 -0.51 0.10 0.00 0.00 175.35 175.16 1rgu s LEU 255 N 0.40 3.71 0.00 2.77 1.43 -1.26 -4.92 118.68 120.80 1rgu s LEU 255 Ca 0.63 -3.26 0.25 0.00 -1.03 0.00 0.00 54.13 50.71 1rgu s LEU 255 Cb -0.40 -1.32 0.94 0.00 0.03 0.00 0.00 46.19 45.44 1rgu s LEU 255 CO 0.36 -0.17 1.67 0.47 0.23 0.00 0.00 176.35 178.91 1rgu n ASP 256 N 2.73 1.53 -4.38 2.29 10.43 -1.26 -4.73 116.55 123.15 1rgu n ASP 256 Ca 0.15 -1.58 -0.32 0.00 2.57 0.00 0.00 54.79 55.61 1rgu n ASP 256 Cb 0.36 -0.04 -0.15 0.00 1.84 0.00 0.00 41.12 43.13 1rgu n ASP 256 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1rgu s ILE 257 N -1.91 2.70 0.48 0.53 1.01 -1.26 -5.11 121.20 117.65 1rgu s ILE 257 Ca 0.36 -0.84 -0.23 0.00 0.00 0.00 0.00 60.65 59.94 1rgu s ILE 257 Cb 0.19 -2.05 -0.07 0.00 0.01 0.00 0.00 42.46 40.55 1rgu s ILE 257 CO 0.30 0.57 1.25 0.00 0.00 0.00 0.00 174.94 177.06 1rgu s ALA 258 N -0.34 2.95 -0.47 9.38 0.00 -1.26 -2.86 121.76 129.16 1rgu s ALA 258 Ca 0.03 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1rgu s ALA 258 Cb -0.12 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1rgu s ALA 258 CO 0.02 -0.92 0.00 1.19 0.00 0.00 0.00 175.76 176.05 1rgu n PHE 259 N -0.60 0.00 -2.77 0.00 3.01 -1.26 -5.00 117.46 110.85 1rgu n PHE 259 Ca 0.08 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.25 1rgu n PHE 259 Cb 0.46 -1.34 -0.02 0.00 -0.01 0.00 0.00 39.48 38.57 1rgu n PHE 259 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1rgu s GLY 260 N -2.42 1.76 0.05 1.37 0.00 -1.14 -4.89 107.32 102.05 1rgu s GLY 260 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.38 1rgu s GLY 260 CO 0.00 -0.16 -0.04 -0.51 0.00 0.00 0.00 173.10 172.39 1rgu s THR 261 N -2.52 0.30 -0.88 0.90 -4.23 -1.26 -4.95 115.64 103.00 1rgu s THR 261 Ca 0.49 -1.52 -0.18 0.00 -1.18 0.00 0.00 61.69 59.30 1rgu s THR 261 Cb -0.10 -1.12 0.14 0.00 1.34 0.00 0.00 72.50 72.75 1rgu s THR 261 CO 0.37 -0.78 1.05 -2.28 -0.54 0.00 0.00 174.62 172.43 1rgu s HIS 262 N -2.95 3.16 -0.09 3.99 2.46 -1.26 -1.30 115.29 119.29 1rgu s HIS 262 Ca -0.00 -1.38 0.22 0.00 0.47 0.00 0.00 55.06 54.37 1rgu s HIS 262 Cb 0.01 -4.21 -0.24 0.00 -0.13 0.00 0.00 32.58 28.01 1rgu s HIS 262 CO -0.06 -1.43 0.64 1.58 -2.47 0.00 0.00 174.74 173.01 1rgu n HIS 263 N 6.29 0.28 -1.53 3.88 -0.00 -0.53 -3.60 115.22 120.02 1rgu n HIS 263 Ca 0.19 0.08 -0.52 0.00 -0.00 0.00 0.00 57.72 57.47 1rgu n HIS 263 Cb 0.48 -0.63 -0.05 0.00 -0.00 0.00 0.00 29.99 29.79 1rgu n HIS 263 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1rgu n THR 264 N -2.38 0.71 -3.90 3.57 -1.04 -0.74 -4.49 114.28 106.00 1rgu n THR 264 Ca -0.03 -0.18 -0.35 0.00 -2.04 0.00 0.00 64.05 61.46 1rgu n THR 264 Cb 0.56 -0.46 -0.14 0.00 -1.82 0.00 0.00 70.33 68.48 1rgu n THR 264 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1rgu s LYS 265 N -0.27 2.32 -0.09 -2.82 3.01 -1.26 -2.89 119.74 117.74 1rgu s LYS 265 Ca 0.78 -1.37 -0.12 0.00 -1.01 0.00 0.00 55.97 54.25 1rgu s LYS 265 Cb -1.00 -3.22 0.03 0.00 -1.01 0.00 0.00 37.83 32.63 1rgu s LYS 265 CO 0.54 -0.69 0.31 1.41 0.51 0.00 0.00 175.35 177.43 1rgu s MET 266 N 1.21 0.45 -0.10 1.68 1.75 -0.67 -1.44 119.30 122.19 1rgu s MET 266 Ca -0.03 0.27 0.03 0.00 -1.25 0.00 0.00 55.69 54.71 1rgu s MET 266 Cb -0.20 0.21 -0.01 0.00 2.84 0.00 0.00 34.83 37.67 1rgu s MET 266 CO -0.02 -0.08 -0.19 -1.64 -0.65 0.00 0.00 175.02 172.44 1rgu s MET 267 N -0.25 3.00 -0.20 4.11 -1.94 0.52 0.02 119.30 124.57 1rgu s MET 267 Ca -0.04 -0.79 -0.04 0.00 -1.71 0.00 0.00 55.69 53.11 1rgu s MET 267 Cb -0.03 -2.41 -0.02 0.00 2.01 0.00 0.00 34.83 34.38 1rgu s MET 267 CO 0.01 0.30 -0.03 -0.51 -0.01 0.00 0.00 175.02 174.78 1rgu s LEU 268 N 0.09 3.08 -0.28 -0.03 1.43 0.15 -1.20 118.68 121.92 1rgu s LEU 268 Ca -0.09 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1rgu s LEU 268 Cb -0.15 -1.77 0.08 0.00 0.03 0.00 0.00 46.19 44.37 1rgu s LEU 268 CO 0.05 0.05 0.01 -0.76 0.23 0.00 0.00 176.35 175.94 1rgu s LEU 269 N 1.06 3.18 -0.22 1.79 1.43 -0.47 -0.22 118.68 125.22 1rgu s LEU 269 Ca 0.01 -1.58 -0.15 0.00 -1.03 0.00 0.00 54.13 51.39 1rgu s LEU 269 Cb -0.15 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1rgu s LEU 269 CO 0.01 -0.32 0.35 -0.22 0.23 0.00 0.00 176.35 176.40 1rgu s LEU 270 N 1.29 4.12 0.43 1.79 2.96 0.49 -0.93 118.68 128.83 1rgu s LEU 270 Ca 0.02 0.39 0.07 0.00 -0.22 0.00 0.00 54.13 54.39 1rgu s LEU 270 Cb -0.19 -2.42 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 1rgu s LEU 270 CO -0.11 -0.08 0.13 -0.31 -1.32 0.00 0.00 176.35 174.67 1rgu s TYR 271 N 1.45 2.46 0.32 5.38 2.02 0.31 0.58 117.35 129.87 1rgu s TYR 271 Ca 0.16 -0.66 0.10 0.00 -0.37 0.00 0.00 57.07 56.30 1rgu s TYR 271 Cb -0.15 -1.88 0.54 0.00 -0.40 0.00 0.00 41.96 40.08 1rgu s TYR 271 CO 0.08 0.22 1.73 0.93 -1.57 0.00 0.00 175.55 176.94 1rgu h GLU 272 N 1.47 0.08 -0.00 -0.62 5.08 -1.29 -3.17 114.58 116.12 1rgu h GLU 272 Ca -0.43 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1rgu h GLU 272 Cb 1.26 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1rgu h GLU 272 CO 0.73 0.51 -0.45 0.39 -1.00 0.00 0.00 179.01 179.18 1rgu n GLU 273 N -4.01 0.13 0.00 2.33 4.71 -1.26 -5.04 120.64 117.50 1rgu n GLU 273 Ca -0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.06 1rgu n GLU 273 Cb 0.48 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 1rgu n GLU 273 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1rgu n GLY 274 N 1.47 -0.05 3.03 0.62 0.00 -1.20 -4.61 105.19 104.46 1rgu n GLY 274 Ca 0.07 -0.95 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 1rgu n GLY 274 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rgu s LEU 275 N 0.00 2.11 -0.00 0.99 2.96 0.62 -0.53 118.68 124.83 1rgu s LEU 275 Ca 0.00 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 1rgu s LEU 275 Cb 0.00 -0.34 -0.01 0.00 0.50 0.00 0.00 46.19 46.34 1rgu s LEU 275 CO 0.00 -0.00 -0.16 -0.60 -1.32 0.00 0.00 176.35 174.26 1rgu s ARG 276 N -0.71 1.25 -0.12 1.98 3.52 -0.11 -0.25 118.95 124.52 1rgu s ARG 276 Ca -0.01 -0.63 0.01 0.00 -0.13 0.00 0.00 55.73 54.97 1rgu s ARG 276 Cb -0.05 -1.22 -0.01 0.00 -1.56 0.00 0.00 34.95 32.10 1rgu s ARG 276 CO 0.00 0.33 -0.15 0.08 -0.81 0.00 0.00 175.30 174.75 1rgu s VAL 277 N -0.47 2.89 -0.17 7.11 1.01 -1.26 -1.37 120.40 128.14 1rgu s VAL 277 Ca 0.06 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1rgu s VAL 277 Cb -0.07 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.15 1rgu s VAL 277 CO -0.00 0.54 -0.17 -0.69 0.00 0.00 0.00 175.10 174.78 1rgu s VAL 278 N 0.23 1.84 -0.14 2.92 1.01 -0.34 -1.62 120.40 124.30 1rgu s VAL 278 Ca -0.10 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 1rgu s VAL 278 Cb -0.16 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1rgu s VAL 278 CO 0.06 0.47 -0.14 -0.63 0.00 0.00 0.00 175.10 174.86 1rgu s ILE 279 N 1.37 2.91 0.00 2.22 1.01 -0.90 -0.35 121.20 127.45 1rgu s ILE 279 Ca 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1rgu s ILE 279 Cb -0.13 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.11 1rgu s ILE 279 CO -0.12 0.52 0.00 0.00 0.00 0.00 0.00 174.94 175.34 1rgu n HIS 280 N 3.78 -0.31 -0.26 3.97 1.44 -0.52 -0.24 115.22 123.08 1rgu n HIS 280 Ca -0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 1rgu n HIS 280 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 1rgu n HIS 280 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1rgu n THR 281 N 0.00 0.14 -3.79 0.61 -2.24 -0.86 -4.25 114.28 103.89 1rgu n THR 281 Ca 0.00 -0.44 -0.36 0.00 -2.27 0.00 0.00 64.05 60.98 1rgu n THR 281 Cb 0.00 1.14 -0.07 0.00 -2.10 0.00 0.00 70.33 69.30 1rgu n THR 281 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1rgu s SER 282 N -0.14 6.31 0.88 3.42 0.01 -1.26 -4.75 113.70 118.16 1rgu s SER 282 Ca 0.00 0.36 -0.10 0.00 1.31 0.00 0.00 55.95 57.51 1rgu s SER 282 Cb 0.00 -2.09 0.12 0.00 0.21 0.00 0.00 66.02 64.27 1rgu s SER 282 CO 0.00 0.28 1.12 0.20 0.41 0.00 0.00 173.24 175.25 1rgu s ASN 283 N -0.28 3.41 -1.34 2.44 0.01 -1.26 -4.91 114.94 113.01 1rgu s ASN 283 Ca 0.12 1.97 -0.06 0.00 -0.71 0.00 0.00 52.86 54.17 1rgu s ASN 283 Cb -0.12 -2.51 0.11 0.00 0.41 0.00 0.00 41.25 39.15 1rgu s ASN 283 CO 0.01 -2.76 2.36 0.18 -1.51 0.00 0.00 177.10 175.38 1rgu n LEU 284 N -4.00 7.93 -4.24 0.60 4.77 -0.23 -4.71 117.00 117.13 1rgu n LEU 284 Ca 0.10 -4.83 -0.13 0.00 -0.03 0.00 0.00 56.01 51.11 1rgu n LEU 284 Cb 0.53 -1.39 -0.10 0.00 -2.33 0.00 0.00 43.42 40.13 1rgu n LEU 284 CO 0.52 1.98 -0.39 0.27 -1.33 0.00 0.00 177.39 178.43 1rgu s ILE 285 N -0.78 1.02 0.16 -0.08 -4.36 -1.26 -0.59 121.20 115.31 1rgu s ILE 285 Ca 0.53 -2.03 -0.15 0.00 -0.26 0.00 0.00 60.65 58.75 1rgu s ILE 285 Cb 0.17 -1.86 0.04 0.00 1.25 0.00 0.00 42.46 42.06 1rgu s ILE 285 CO -0.08 -0.73 1.83 -0.74 0.24 0.00 0.00 174.94 175.46 1rgu h HIS 286 N 2.80 0.58 -0.02 1.37 -0.00 -1.94 -2.52 115.15 115.42 1rgu h HIS 286 Ca -0.36 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.02 1rgu h HIS 286 Cb 1.19 -0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 28.40 1rgu h HIS 286 CO 0.62 0.37 0.01 0.00 -0.00 0.00 0.00 177.93 178.93 1rgu h ALA 287 N 1.17 1.89 0.00 5.26 0.00 -1.97 -1.54 119.26 124.07 1rgu h ALA 287 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1rgu h ALA 287 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1rgu h ALA 287 CO -0.04 -0.02 0.00 -0.44 0.00 0.00 0.00 179.25 178.75 1rgu h ASP 288 N 0.00 0.00 -0.11 0.00 3.45 -1.73 -3.15 116.42 114.88 1rgu h ASP 288 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1rgu h ASP 288 Cb 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1rgu h ASP 288 CO -0.00 0.00 0.00 0.79 -1.57 0.00 0.00 179.24 178.46 1rgu n TRP 289 N -2.55 0.19 -0.02 4.55 7.02 -0.61 -4.56 117.44 121.45 1rgu n TRP 289 Ca 0.03 -0.60 -0.02 0.00 -1.02 0.00 0.00 57.50 55.89 1rgu n TRP 289 Cb 0.37 -0.08 -0.01 0.00 -2.42 0.00 0.00 31.31 29.17 1rgu n TRP 289 CO 0.00 0.00 0.00 1.58 -2.02 0.00 0.00 177.69 177.25 1rgu n HIS 290 N -0.38 0.13 -2.25 -5.99 -0.00 -1.00 -4.75 115.22 100.98 1rgu n HIS 290 Ca 0.07 0.06 0.05 0.00 0.46 0.00 0.00 57.72 58.35 1rgu n HIS 290 Cb 0.40 -0.27 0.07 0.00 -0.12 0.00 0.00 29.99 30.08 1rgu n HIS 290 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1rgu n GLN 291 N -2.98 0.43 -4.05 1.57 6.02 -1.26 -1.19 117.38 115.93 1rgu n GLN 291 Ca -0.03 -2.34 -0.27 0.00 -0.01 0.00 0.00 57.00 54.34 1rgu n GLN 291 Cb 0.11 -0.45 -0.05 0.00 1.02 0.00 0.00 30.24 30.87 1rgu n GLN 291 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1rgu s LYS 292 N -0.88 2.99 -0.28 -1.09 1.02 -1.26 -3.73 119.74 116.51 1rgu s LYS 292 Ca 0.35 -0.77 -0.29 0.00 0.02 0.00 0.00 55.97 55.28 1rgu s LYS 292 Cb 0.38 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.97 1rgu s LYS 292 CO -0.14 0.52 1.10 0.99 -0.92 0.00 0.00 175.35 176.89 1rgu s THR 293 N -1.65 4.52 0.09 2.17 2.01 -0.32 -4.81 115.64 117.64 1rgu s THR 293 Ca 0.31 1.78 0.03 0.00 0.31 0.00 0.00 61.69 64.12 1rgu s THR 293 Cb -0.11 -4.33 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 1rgu s THR 293 CO 0.24 -0.36 -0.10 -1.10 -0.69 0.00 0.00 174.62 172.61 1rgu s GLN 294 N 3.54 0.80 0.07 4.92 -1.52 -1.26 -0.80 119.66 125.42 1rgu s GLN 294 Ca 0.47 -1.10 0.07 0.00 -1.95 0.00 0.00 55.36 52.85 1rgu s GLN 294 Cb -0.14 -0.49 -0.04 0.00 -0.22 0.00 0.00 33.01 32.12 1rgu s GLN 294 CO 0.13 0.08 -0.16 0.20 -0.25 0.00 0.00 175.29 175.28 1rgu s GLY 295 N -2.32 1.66 -0.01 3.09 0.00 -1.26 -2.42 107.32 106.06 1rgu s GLY 295 Ca 0.03 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.52 1rgu s GLY 295 CO -0.00 -1.18 -0.05 -0.42 0.00 0.00 0.00 173.10 171.45 1rgu s ILE 296 N -1.04 0.42 -0.15 0.90 1.01 0.22 -2.03 121.20 120.53 1rgu s ILE 296 Ca 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 1rgu s ILE 296 Cb -0.11 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 41.97 1rgu s ILE 296 CO 0.08 0.14 -0.12 0.86 0.00 0.00 0.00 174.94 175.90 1rgu s TRP 297 N 0.11 2.83 -0.26 3.97 -0.00 0.67 -1.10 118.94 125.16 1rgu s TRP 297 Ca -0.01 -0.80 -0.06 0.00 -0.00 0.00 0.00 56.10 55.23 1rgu s TRP 297 Cb -0.05 -1.90 -0.00 0.00 -0.00 0.00 0.00 33.47 31.52 1rgu s TRP 297 CO -0.00 -0.34 0.04 -0.51 -0.00 0.00 0.00 176.95 176.14 1rgu s LEU 298 N 0.65 3.49 0.91 5.86 1.43 -0.68 -2.13 118.68 128.21 1rgu s LEU 298 Ca -0.07 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 1rgu s LEU 298 Cb -0.15 -1.84 0.14 0.00 0.03 0.00 0.00 46.19 44.36 1rgu s LEU 298 CO 0.02 -0.11 1.09 -0.94 0.23 0.00 0.00 176.35 176.64 1rgu s SER 299 N 1.50 3.28 0.96 2.29 1.04 -0.64 -4.81 113.70 117.32 1rgu s SER 299 Ca 0.04 1.70 -0.11 0.00 0.48 0.00 0.00 55.95 58.05 1rgu s SER 299 Cb -0.16 -2.34 0.17 0.00 0.10 0.00 0.00 66.02 63.79 1rgu s SER 299 CO 0.01 -2.79 1.09 -2.84 0.98 0.00 0.00 173.24 169.68 1rgu s PRO 300 N -4.81 0.69 -0.27 4.02 0.02 -1.26 -4.78 135.00 128.60 1rgu s PRO 300 Ca 0.64 0.99 -0.29 0.00 0.02 0.00 0.00 61.00 62.36 1rgu s PRO 300 Cb -0.20 -1.73 -0.02 0.00 0.02 0.00 0.00 34.50 32.58 1rgu s PRO 300 CO 0.58 -2.68 1.61 -1.17 -0.33 0.00 0.00 177.00 175.01 1rgu s LEU 301 N -6.54 3.79 -0.20 -5.54 2.96 -1.26 -4.60 118.68 107.28 1rgu s LEU 301 Ca 0.65 1.45 -0.20 0.00 -0.22 0.00 0.00 54.13 55.81 1rgu s LEU 301 Cb -0.21 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 1rgu s LEU 301 CO 0.59 -1.35 0.61 -0.31 -1.32 0.00 0.00 176.35 174.57 1rgu s TYR 302 N 5.49 3.37 0.59 5.38 2.02 0.66 -4.87 117.35 129.99 1rgu s TYR 302 Ca 0.71 0.90 -0.14 0.00 -0.37 0.00 0.00 57.07 58.17 1rgu s TYR 302 Cb -0.23 -2.78 -0.04 0.00 -0.40 0.00 0.00 41.96 38.51 1rgu s TYR 302 CO 0.30 -0.17 1.03 -1.25 -1.57 0.00 0.00 175.55 173.89 1rgu s PRO 303 N 1.90 3.51 0.60 -1.71 0.04 -1.25 -0.27 135.00 137.81 1rgu s PRO 303 Ca 0.28 0.99 -0.19 0.00 0.04 0.00 0.00 61.00 62.12 1rgu s PRO 303 Cb -0.16 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1rgu s PRO 303 CO 0.10 -0.64 1.26 1.03 0.04 0.00 0.00 177.00 178.79 1rgu s ARG 304 N -4.46 2.90 0.12 4.56 0.52 -1.26 0.15 118.95 121.48 1rgu s ARG 304 Ca 0.59 1.98 -0.27 0.00 -0.52 0.00 0.00 55.73 57.51 1rgu s ARG 304 Cb -0.13 -1.99 -0.07 0.00 0.52 0.00 0.00 34.95 33.29 1rgu s ARG 304 CO 0.42 -1.30 0.85 0.42 0.02 0.00 0.00 175.30 175.71 1rgu s ILE 305 N -1.47 4.49 0.27 1.52 1.01 0.02 -4.65 121.20 122.39 1rgu s ILE 305 Ca 0.77 1.85 -0.29 0.00 0.00 0.00 0.00 60.65 62.98 1rgu s ILE 305 Cb -0.35 -4.21 -0.14 0.00 0.01 0.00 0.00 42.46 37.77 1rgu s ILE 305 CO 0.38 0.40 1.10 0.00 0.00 0.00 0.00 174.94 176.82 1rgu n ALA 306 N 2.37 -0.09 -1.64 9.38 0.00 -1.26 -4.89 120.51 124.38 1rgu n ALA 306 Ca -0.02 0.40 -0.44 0.00 0.00 0.00 0.00 53.44 53.39 1rgu n ALA 306 Cb 0.49 -2.06 -0.01 0.00 0.00 0.00 0.00 19.45 17.86 1rgu n ALA 306 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rgu n ASP 307 N 1.44 2.04 -1.41 0.00 8.00 -1.26 -1.42 116.55 123.94 1rgu n ASP 307 Ca 0.10 1.18 -0.12 0.00 0.71 0.00 0.00 54.79 56.67 1rgu n ASP 307 Cb 0.31 -1.38 -0.05 0.00 -0.02 0.00 0.00 41.12 39.98 1rgu n ASP 307 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rgu n GLY 308 N 1.19 1.09 3.87 0.44 0.00 -1.26 -4.96 105.19 105.55 1rgu n GLY 308 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1rgu n GLY 308 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rgu s THR 309 N -2.07 4.77 -0.88 2.61 -1.32 -0.51 -5.04 115.64 113.21 1rgu s THR 309 Ca 0.00 0.67 -0.01 0.00 -1.21 0.00 0.00 61.69 61.14 1rgu s THR 309 Cb 0.00 -3.72 0.22 0.00 -1.51 0.00 0.00 72.50 67.48 1rgu s THR 309 CO 0.00 -0.51 0.76 -1.00 -2.21 0.00 0.00 174.62 171.66 1rgu s HIS 310 N -2.36 3.87 0.02 9.09 4.02 -1.26 -4.97 115.29 123.70 1rgu s HIS 310 Ca 0.52 -3.04 0.03 0.00 1.02 0.00 0.00 55.06 53.59 1rgu s HIS 310 Cb -0.10 -3.21 -0.01 0.00 -1.02 0.00 0.00 32.58 28.23 1rgu s HIS 310 CO 0.30 -0.73 -0.09 0.15 1.02 0.00 0.00 174.74 175.39 1rgu s LYS 311 N -1.32 0.65 0.17 1.40 -0.14 -1.26 -5.03 119.74 114.21 1rgu s LYS 311 Ca 0.27 -0.49 -0.00 0.00 -1.36 0.00 0.00 55.97 54.39 1rgu s LYS 311 Cb -0.07 -0.59 0.03 0.00 -1.68 0.00 0.00 37.83 35.52 1rgu s LYS 311 CO -0.12 0.15 1.41 0.66 -0.76 0.00 0.00 175.35 176.68 1rgu h SER 312 N 5.39 0.41 -0.69 2.83 4.64 -1.97 -3.47 113.55 120.69 1rgu h SER 312 Ca -0.33 -0.29 -0.28 0.00 -0.47 0.00 0.00 61.79 60.42 1rgu h SER 312 Cb 1.19 -0.12 -0.11 0.00 -0.31 0.00 0.00 62.40 63.05 1rgu h SER 312 CO 0.46 1.05 -0.26 0.61 -0.87 0.00 0.00 176.83 177.82 1rgu n GLY 313 N 0.69 1.39 3.88 -0.77 0.00 -1.26 -4.88 105.19 104.23 1rgu n GLY 313 Ca -0.04 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 1rgu n GLY 313 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rgu s GLU 314 N -3.21 3.78 0.29 1.61 2.56 -1.26 -0.23 118.70 122.25 1rgu s GLU 314 Ca 0.00 0.42 0.07 0.00 0.00 0.00 0.00 54.97 55.46 1rgu s GLU 314 Cb 0.00 -2.43 -0.03 0.00 2.00 0.00 0.00 34.13 33.67 1rgu s GLU 314 CO 0.00 0.02 0.25 -1.54 -0.56 0.00 0.00 175.26 173.43 1rgu s SER 315 N -3.07 5.42 0.60 -1.70 1.04 -1.26 -3.97 113.70 110.76 1rgu s SER 315 Ca 0.50 -0.37 0.30 0.00 0.48 0.00 0.00 55.95 56.87 1rgu s SER 315 Cb -0.10 -1.19 1.66 0.00 0.10 0.00 0.00 66.02 66.48 1rgu s SER 315 CO 0.30 -0.20 2.05 1.55 0.98 0.00 0.00 173.24 177.92 1rgu h PRO 316 N 1.36 0.00 -0.16 4.02 0.13 -1.81 -0.27 132.00 135.26 1rgu h PRO 316 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1rgu h PRO 316 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1rgu h PRO 316 CO 0.59 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.61 1rgu n THR 317 N -3.64 0.20 -1.85 1.56 -2.24 -1.26 -4.94 114.28 102.12 1rgu n THR 317 Ca 0.02 -0.38 -0.21 0.00 -2.27 0.00 0.00 64.05 61.22 1rgu n THR 317 Cb 0.39 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 1rgu n THR 317 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1rgu n HIS 318 N 0.45 -0.30 -0.26 4.78 8.25 -0.11 -4.73 115.22 123.29 1rgu n HIS 318 Ca 0.17 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.69 1rgu n HIS 318 Cb 0.37 -3.60 0.18 0.00 1.12 0.00 0.00 29.99 28.06 1rgu n HIS 318 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1rgu h PHE 319 N 0.00 0.07 0.43 4.41 3.57 -1.83 -0.45 116.94 123.14 1rgu h PHE 319 Ca -0.44 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 1rgu h PHE 319 Cb 1.35 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.18 1rgu h PHE 319 CO 0.57 -0.20 -0.21 -0.22 -2.23 0.00 0.00 178.31 176.02 1rgu h LYS 320 N 0.15 -0.56 -0.96 1.11 3.64 -1.89 0.23 116.57 118.29 1rgu h LYS 320 Ca 0.43 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.91 1rgu h LYS 320 Cb 0.77 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.66 1rgu h LYS 320 CO -0.63 -0.29 0.62 0.00 -2.27 0.00 0.00 179.45 176.88 1rgu h ALA 321 N -0.27 1.33 -0.32 5.00 0.00 -1.92 -0.76 119.26 122.31 1rgu h ALA 321 Ca -0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1rgu h ALA 321 Cb 0.53 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1rgu h ALA 321 CO 0.10 0.42 -0.17 -0.91 0.00 0.00 0.00 179.25 178.68 1rgu h ASN 322 N 1.14 0.58 -0.05 0.00 -0.26 -0.69 0.62 115.58 116.91 1rgu h ASN 322 Ca 0.41 -0.18 -0.04 0.00 -0.56 0.00 0.00 56.30 55.94 1rgu h ASN 322 Cb 0.14 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1rgu h ASN 322 CO -0.17 0.77 -0.11 0.25 -1.06 0.00 0.00 177.43 177.11 1rgu h LEU 323 N 0.53 0.19 -0.56 1.61 5.85 -0.19 -1.27 115.31 121.48 1rgu h LEU 323 Ca 0.09 -0.57 0.09 0.00 0.84 0.00 0.00 57.88 58.32 1rgu h LEU 323 Cb 0.60 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 1rgu h LEU 323 CO 0.04 0.73 0.15 0.40 -0.34 0.00 0.00 178.44 179.42 1rgu h ILE 324 N -0.34 0.73 -0.33 4.05 2.04 -1.02 -0.24 117.51 122.39 1rgu h ILE 324 Ca 0.00 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1rgu h ILE 324 Cb 0.70 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1rgu h ILE 324 CO 0.02 0.06 0.18 0.28 0.00 0.00 0.00 178.15 178.69 1rgu h SER 325 N 0.31 0.29 -0.30 1.72 0.02 -0.81 0.10 113.55 114.88 1rgu h SER 325 Ca 0.28 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.31 1rgu h SER 325 Cb 0.37 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 62.78 1rgu h SER 325 CO -0.33 0.21 -0.28 0.22 -1.14 0.00 0.00 176.83 175.51 1rgu h TYR 326 N 0.38 -0.77 -0.13 3.45 3.20 -0.67 -2.16 116.97 120.26 1rgu h TYR 326 Ca 0.13 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1rgu h TYR 326 Cb 0.02 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1rgu h TYR 326 CO -0.08 -0.35 -0.22 -0.07 -1.64 0.00 0.00 178.16 175.79 1rgu h LEU 327 N -0.26 0.22 -1.41 2.82 3.38 -0.52 -2.75 115.31 116.79 1rgu h LEU 327 Ca 0.15 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1rgu h LEU 327 Cb 0.50 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1rgu h LEU 327 CO -0.45 0.45 -0.16 0.74 0.09 0.00 0.00 178.44 179.12 1rgu h THR 328 N 0.21 1.18 0.00 0.22 2.02 -0.47 -2.35 112.91 113.72 1rgu h THR 328 Ca 0.04 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1rgu h THR 328 Cb 0.51 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1rgu h THR 328 CO 0.03 0.25 0.00 0.00 0.37 0.00 0.00 175.52 176.17 1rgu h ALA 329 N 1.66 1.00 0.00 6.16 0.00 -1.09 -2.11 119.26 124.88 1rgu h ALA 329 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1rgu h ALA 329 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1rgu h ALA 329 CO 0.02 0.00 -0.25 1.88 0.00 0.00 0.00 179.25 180.90 1rgu h TYR 330 N 0.00 0.00 -6.15 0.00 -1.99 -1.56 -3.48 116.97 103.80 1rgu h TYR 330 Ca 0.00 0.00 -0.45 0.00 2.00 0.00 0.00 58.73 60.28 1rgu h TYR 330 Cb 0.16 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.92 1rgu h TYR 330 CO 0.00 0.25 -0.75 -1.71 -0.00 0.00 0.00 178.16 175.95 1rgu n ASN 331 N -3.24 -4.55 -4.18 3.88 4.05 -0.80 -4.73 115.26 105.69 1rgu n ASN 331 Ca 0.02 -0.73 -0.30 0.00 0.45 0.00 0.00 54.58 54.02 1rgu n ASN 331 Cb 0.55 -4.22 -0.17 0.00 1.23 0.00 0.00 39.78 37.17 1rgu n ASN 331 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1rgu s ALA 332 N -3.36 1.96 0.20 5.20 0.00 -1.26 -5.04 121.76 119.46 1rgu s ALA 332 Ca 0.53 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 1rgu s ALA 332 Cb -0.26 -0.74 0.17 0.00 0.00 0.00 0.00 23.12 22.30 1rgu s ALA 332 CO 0.80 0.27 1.84 -1.00 0.00 0.00 0.00 175.76 177.67 1rgu h PRO 333 N 6.68 0.77 0.00 0.00 0.13 -2.00 -1.50 132.00 136.08 1rgu h PRO 333 Ca -0.23 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 1rgu h PRO 333 Cb 1.22 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 1rgu h PRO 333 CO 0.47 0.51 -0.15 0.66 -0.23 0.00 0.00 178.00 179.26 1rgu h SER 334 N 0.80 0.00 1.18 1.44 4.64 -1.98 -1.64 113.55 117.99 1rgu h SER 334 Ca 0.26 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.42 1rgu h SER 334 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1rgu h SER 334 CO -0.11 0.15 -0.83 -0.07 -0.87 0.00 0.00 176.83 175.11 1rgu h LEU 335 N 0.00 0.00 -0.55 5.97 3.38 -1.68 -3.22 115.31 119.22 1rgu h LEU 335 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1rgu h LEU 335 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1rgu h LEU 335 CO 0.02 0.77 0.24 0.50 0.09 0.00 0.00 178.44 180.06 1rgu h LYS 336 N 0.00 0.81 -1.00 1.13 1.63 -0.73 0.20 116.57 118.61 1rgu h LYS 336 Ca -0.02 -0.13 0.14 0.00 -0.85 0.00 0.00 60.65 59.79 1rgu h LYS 336 Cb 1.61 -0.14 -0.09 0.00 -0.60 0.00 0.00 32.23 33.00 1rgu h LYS 336 CO 0.10 0.68 0.62 0.93 -3.45 0.00 0.00 179.45 178.33 1rgu h GLU 337 N 0.75 0.89 -0.06 1.90 3.07 -1.56 0.59 114.58 120.14 1rgu h GLU 337 Ca 0.19 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 58.83 1rgu h GLU 337 Cb 0.16 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1rgu h GLU 337 CO -0.02 0.59 -0.66 -1.49 -1.40 0.00 0.00 179.01 176.03 1rgu h TRP 338 N 0.91 0.36 -0.43 4.33 4.06 -1.09 -1.36 115.95 122.74 1rgu h TRP 338 Ca 0.53 -0.15 0.02 0.00 2.06 0.00 0.00 58.89 61.35 1rgu h TRP 338 Cb 0.63 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.70 1rgu h TRP 338 CO -0.01 0.85 0.24 0.82 -3.56 0.00 0.00 178.44 176.79 1rgu h ILE 339 N 0.19 1.03 -0.51 1.49 2.04 0.17 -0.60 117.51 121.31 1rgu h ILE 339 Ca -0.01 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 1rgu h ILE 339 Cb 1.20 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1rgu h ILE 339 CO 0.10 0.09 0.13 0.44 0.00 0.00 0.00 178.15 178.91 1rgu h ASP 340 N 0.49 0.72 -0.52 1.72 3.45 -0.66 0.10 116.42 121.72 1rgu h ASP 340 Ca 0.17 -0.12 0.03 0.00 0.43 0.00 0.00 57.03 57.54 1rgu h ASP 340 Cb 0.03 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 38.58 1rgu h ASP 340 CO -0.09 0.71 0.30 0.58 -1.57 0.00 0.00 179.24 179.16 1rgu h VAL 341 N 0.75 1.02 -0.55 -1.35 2.07 -0.86 -3.04 116.25 114.29 1rgu h VAL 341 Ca 0.17 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.38 1rgu h VAL 341 Cb 0.27 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1rgu h VAL 341 CO -0.00 0.11 -0.09 0.40 0.02 0.00 0.00 177.57 178.00 1rgu h ILE 342 N 0.58 1.27 -0.89 4.57 2.04 -0.02 -2.83 117.51 122.23 1rgu h ILE 342 Ca 0.21 -1.25 0.18 0.00 1.00 0.00 0.00 64.86 65.00 1rgu h ILE 342 Cb 0.06 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1rgu h ILE 342 CO -0.11 0.44 0.58 0.45 0.00 0.00 0.00 178.15 179.51 1rgu h HIS 343 N 0.92 0.65 -0.01 1.37 3.86 -0.93 -0.58 115.15 120.44 1rgu h HIS 343 Ca 0.15 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1rgu h HIS 343 Cb 0.66 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1rgu h HIS 343 CO 0.05 0.20 -0.03 1.63 0.86 0.00 0.00 177.93 180.63 1rgu n LYS 344 N -4.54 1.29 -4.20 2.45 4.01 -1.07 -4.88 118.16 111.22 1rgu n LYS 344 Ca 0.18 -0.57 -0.23 0.00 -0.51 0.00 0.00 58.31 57.18 1rgu n LYS 344 Cb 0.60 -1.49 -0.06 0.00 -0.51 0.00 0.00 35.03 33.57 1rgu n LYS 344 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1rgu s HIS 345 N -2.10 2.90 -0.48 2.13 4.02 -0.23 -0.80 115.29 120.73 1rgu s HIS 345 Ca 0.38 -0.16 -0.17 0.00 1.02 0.00 0.00 55.06 56.14 1rgu s HIS 345 Cb 0.21 -1.31 0.06 0.00 -1.02 0.00 0.00 32.58 30.52 1rgu s HIS 345 CO 0.38 0.56 0.46 0.34 1.02 0.00 0.00 174.74 177.50 1rgu s ASP 346 N -3.62 6.17 -0.12 1.40 2.15 0.12 -4.68 116.67 118.09 1rgu s ASP 346 Ca 0.31 -1.16 0.17 0.00 0.43 0.00 0.00 52.55 52.30 1rgu s ASP 346 Cb -0.08 -2.22 0.64 0.00 -0.30 0.00 0.00 42.92 40.97 1rgu s ASP 346 CO 0.22 -0.71 1.55 0.18 -0.17 0.00 0.00 175.17 176.24 1rgu n LEU 347 N 5.50 4.44 0.21 -1.34 4.32 0.68 -3.96 117.00 126.86 1rgu n LEU 347 Ca -0.10 -2.53 0.15 0.00 -0.02 0.00 0.00 56.01 53.51 1rgu n LEU 347 Cb 0.44 -0.53 0.78 0.00 -1.62 0.00 0.00 43.42 42.49 1rgu n LEU 347 CO 0.49 0.76 1.13 0.77 -1.22 0.00 0.00 177.39 179.32 1rgu h SER 348 N 3.37 0.00 0.45 -1.43 4.64 -1.52 -2.09 113.55 116.97 1rgu h SER 348 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rgu h SER 348 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1rgu h SER 348 CO 0.22 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.56 1rgu n GLU 349 N -4.08 0.36 -1.81 4.77 -0.58 -1.26 -4.34 120.64 113.71 1rgu n GLU 349 Ca 0.01 0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.38 1rgu n GLU 349 Cb 0.25 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 1rgu n GLU 349 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1rgu s THR 350 N -2.55 2.62 -0.68 2.62 2.01 -0.79 -4.91 115.64 113.96 1rgu s THR 350 Ca 0.24 0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.55 1rgu s THR 350 Cb 0.17 -3.15 0.23 0.00 0.01 0.00 0.00 72.50 69.76 1rgu s THR 350 CO 0.37 0.00 1.19 -0.46 -0.69 0.00 0.00 174.62 175.04 1rgu n ASN 351 N 5.17 2.71 -4.66 3.53 0.23 -1.26 -4.53 115.26 116.45 1rgu n ASN 351 Ca 0.16 -2.02 -0.23 0.00 -0.53 0.00 0.00 54.58 51.96 1rgu n ASN 351 Cb 0.38 -0.18 -0.07 0.00 -2.08 0.00 0.00 39.78 37.83 1rgu n ASN 351 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1rgu s VAL 352 N -1.04 3.11 -0.13 3.53 -7.23 -1.26 -4.76 120.40 112.62 1rgu s VAL 352 Ca 0.18 -1.87 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 1rgu s VAL 352 Cb 0.10 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 1rgu s VAL 352 CO 0.12 -0.28 0.06 -0.31 -0.31 0.00 0.00 175.10 174.38 1rgu s TYR 353 N -2.40 3.31 -0.03 2.82 1.51 -0.59 -4.68 117.35 117.28 1rgu s TYR 353 Ca 0.34 0.23 -0.27 0.00 -1.01 0.00 0.00 57.07 56.36 1rgu s TYR 353 Cb -0.04 -1.94 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 1rgu s TYR 353 CO 0.20 0.41 0.84 -1.17 -1.11 0.00 0.00 175.55 174.72 1rgu s LEU 354 N -0.43 4.35 -0.27 -1.29 2.96 -1.26 -0.51 118.68 122.22 1rgu s LEU 354 Ca 0.10 1.43 0.03 0.00 -0.22 0.00 0.00 54.13 55.46 1rgu s LEU 354 Cb -0.12 -3.32 0.07 0.00 0.50 0.00 0.00 46.19 43.32 1rgu s LEU 354 CO 0.02 -0.18 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.16 1rgu s ILE 355 N 0.85 2.15 0.15 6.68 1.01 -0.67 -4.95 121.20 126.41 1rgu s ILE 355 Ca 0.44 -1.74 0.05 0.00 0.00 0.00 0.00 60.65 59.41 1rgu s ILE 355 Cb -0.19 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1rgu s ILE 355 CO 0.23 -0.14 0.10 -0.83 0.00 0.00 0.00 174.94 174.31 1rgu s GLY 356 N 1.08 1.78 0.14 6.18 0.00 -1.26 -1.40 107.32 113.85 1rgu s GLY 356 Ca -0.05 -1.20 0.10 0.00 0.00 0.00 0.00 44.72 43.57 1rgu s GLY 356 CO -0.06 -1.20 -0.20 -0.56 0.00 0.00 0.00 173.10 171.08 1rgu s SER 357 N -2.92 3.74 -0.10 1.64 0.01 0.56 -1.51 113.70 115.12 1rgu s SER 357 Ca 0.30 -0.66 -0.18 0.00 1.31 0.00 0.00 55.95 56.72 1rgu s SER 357 Cb -0.10 -0.45 0.04 0.00 0.21 0.00 0.00 66.02 65.72 1rgu s SER 357 CO 0.22 0.16 0.44 0.28 0.41 0.00 0.00 173.24 174.75 1rgu s THR 358 N -1.31 0.02 0.33 1.44 -1.32 -1.06 -2.00 115.64 111.74 1rgu s THR 358 Ca 0.19 -0.17 -0.29 0.00 -1.21 0.00 0.00 61.69 60.21 1rgu s THR 358 Cb -0.10 -0.69 -0.10 0.00 -1.51 0.00 0.00 72.50 70.10 1rgu s THR 358 CO 0.10 -0.09 1.29 -2.84 -2.21 0.00 0.00 174.62 170.87 1rgu s PRO 359 N -0.53 4.38 0.00 7.08 0.02 -1.19 -4.65 135.00 140.10 1rgu s PRO 359 Ca -0.06 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.14 1rgu s PRO 359 Cb -0.03 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.41 1rgu s PRO 359 CO 0.03 -0.16 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 1rgu n GLY 360 N 0.83 -1.11 3.22 0.52 0.00 -0.15 -4.96 105.19 103.54 1rgu n GLY 360 Ca -0.00 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 1rgu n GLY 360 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rgu s ARG 361 N -1.59 3.18 -0.15 1.61 0.52 -1.26 -0.88 118.95 120.39 1rgu s ARG 361 Ca 0.00 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 54.49 1rgu s ARG 361 Cb 0.00 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.73 1rgu s ARG 361 CO 0.00 -0.16 -0.18 -0.06 0.02 0.00 0.00 175.30 174.92 1rgu s PHE 362 N 1.26 2.74 0.30 -0.53 0.08 0.58 -4.91 117.98 117.49 1rgu s PHE 362 Ca 0.03 -1.17 0.04 0.00 0.12 0.00 0.00 56.93 55.95 1rgu s PHE 362 Cb -0.14 -1.86 -0.06 0.00 -0.57 0.00 0.00 43.02 40.39 1rgu s PHE 362 CO -0.07 -0.53 0.04 -0.65 -0.10 0.00 0.00 175.22 173.91 1rgu s GLN 363 N 0.82 1.58 6.18 0.44 -0.21 -1.26 -0.40 119.66 126.80 1rgu s GLN 363 Ca -0.06 -1.86 0.00 0.00 0.02 0.00 0.00 55.36 53.46 1rgu s GLN 363 Cb -0.15 -0.80 0.00 0.00 1.00 0.00 0.00 33.01 33.06 1rgu s GLN 363 CO -0.01 -0.17 0.00 0.41 -2.12 0.00 0.00 175.29 173.40 1rgu n GLY 364 N -0.62 3.38 0.07 3.09 0.00 -1.26 -1.04 105.19 108.80 1rgu n GLY 364 Ca -0.03 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1rgu n GLY 364 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rgu n SER 365 N 4.09 0.20 0.03 1.61 3.41 -1.26 -2.49 113.62 119.21 1rgu n SER 365 Ca 0.00 -1.54 0.09 0.00 -0.26 0.00 0.00 58.87 57.16 1rgu n SER 365 Cb 0.00 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 63.83 1rgu n SER 365 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rgu n GLN 366 N -0.61 0.64 -0.06 4.33 6.02 -0.21 -4.32 117.38 123.16 1rgu n GLN 366 Ca 0.12 -0.04 0.16 0.00 -0.01 0.00 0.00 57.00 57.23 1rgu n GLN 366 Cb 0.08 -1.65 0.59 0.00 1.02 0.00 0.00 30.24 30.28 1rgu n GLN 366 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1rgu h LYS 367 N 0.00 0.22 -0.00 -1.09 3.64 -1.42 -1.34 116.57 116.58 1rgu h LYS 367 Ca -0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1rgu h LYS 367 Cb 1.11 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1rgu h LYS 367 CO 0.00 0.15 -0.11 -0.25 -2.27 0.00 0.00 179.45 176.97 1rgu n ASP 368 N -4.44 0.49 0.10 4.20 8.00 -1.26 -4.19 116.55 119.45 1rgu n ASP 368 Ca 0.11 -0.59 -0.03 0.00 0.71 0.00 0.00 54.79 54.99 1rgu n ASP 368 Cb 0.51 -0.07 0.04 0.00 -0.02 0.00 0.00 41.12 41.58 1rgu n ASP 368 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1rgu h ASN 369 N 0.59 0.00 -4.82 -2.24 2.35 -1.50 -3.26 115.58 106.70 1rgu h ASN 369 Ca 0.00 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.51 1rgu h ASN 369 Cb 0.36 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.58 1rgu h ASN 369 CO 0.00 0.77 -0.67 0.26 -1.65 0.00 0.00 177.43 176.15 1rgu s TRP 370 N -3.15 1.01 0.00 1.19 0.52 -1.26 -4.67 118.94 112.58 1rgu s TRP 370 Ca 0.00 -1.06 0.00 0.00 0.02 0.00 0.00 56.10 55.06 1rgu s TRP 370 Cb 0.11 -0.58 0.00 0.00 -1.15 0.00 0.00 33.47 31.85 1rgu s TRP 370 CO 0.78 -0.30 0.00 0.41 0.02 0.00 0.00 176.95 177.87 1rgu n GLY 371 N -0.14 1.82 0.20 0.98 0.00 -0.57 -2.05 105.19 105.43 1rgu n GLY 371 Ca -0.08 -0.49 0.14 0.00 0.00 0.00 0.00 46.02 45.59 1rgu n GLY 371 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1rgu h HIS 372 N 0.00 0.00 0.00 1.61 2.07 -1.54 -2.15 115.15 115.15 1rgu h HIS 372 Ca 0.00 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.38 1rgu h HIS 372 Cb 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 1rgu h HIS 372 CO 0.00 0.00 -0.66 0.74 -3.07 0.00 0.00 177.93 174.94 1rgu h PHE 373 N 0.00 0.00 -0.33 6.12 -1.00 -1.81 -0.41 116.94 119.50 1rgu h PHE 373 Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1rgu h PHE 373 Cb 0.71 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.26 1rgu h PHE 373 CO 0.00 0.66 0.13 -0.09 -1.61 0.00 0.00 178.31 177.40 1rgu h ARG 374 N 0.00 0.49 -0.18 1.51 9.65 -0.79 -0.89 114.38 124.17 1rgu h ARG 374 Ca -0.01 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1rgu h ARG 374 Cb 1.33 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.82 1rgu h ARG 374 CO 0.09 0.49 0.10 1.25 2.80 0.00 0.00 179.97 184.69 1rgu h LEU 375 N 0.39 0.23 -0.59 3.80 5.85 -1.34 -1.53 115.31 122.11 1rgu h LEU 375 Ca 0.11 -0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.86 1rgu h LEU 375 Cb 0.18 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 1rgu h LEU 375 CO -0.01 0.25 0.13 0.50 -0.34 0.00 0.00 178.44 178.96 1rgu h LYS 376 N 0.19 0.25 -0.18 1.25 3.64 -0.97 -0.53 116.57 120.22 1rgu h LYS 376 Ca 0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1rgu h LYS 376 Cb 0.07 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1rgu h LYS 376 CO -0.01 0.17 0.11 -0.22 -2.27 0.00 0.00 179.45 177.23 1rgu h LYS 377 N 0.26 0.22 -0.63 1.90 1.63 -0.63 0.11 116.57 119.43 1rgu h LYS 377 Ca 0.31 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.05 1rgu h LYS 377 Cb 0.46 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.01 1rgu h LYS 377 CO -0.40 0.15 0.22 -0.07 -3.45 0.00 0.00 179.45 175.90 1rgu h LEU 378 N 0.23 0.86 -0.39 5.20 3.38 -0.88 -1.34 115.31 122.38 1rgu h LEU 378 Ca 0.07 -0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 1rgu h LEU 378 Cb -0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1rgu h LEU 378 CO -0.02 0.79 -0.67 -0.07 0.09 0.00 0.00 178.44 178.56 1rgu h LEU 379 N 0.91 0.66 -0.88 1.67 3.38 -0.62 0.54 115.31 120.96 1rgu h LEU 379 Ca 0.21 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1rgu h LEU 379 Cb 0.22 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1rgu h LEU 379 CO -0.01 1.15 0.30 0.50 0.09 0.00 0.00 178.44 180.46 1rgu h LYS 380 N 0.41 1.11 0.00 1.13 3.64 -0.53 -1.98 116.57 120.36 1rgu h LYS 380 Ca -0.02 -0.20 -0.28 0.00 -1.27 0.00 0.00 60.65 58.89 1rgu h LYS 380 Cb 1.24 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.83 1rgu h LYS 380 CO 0.13 0.90 -1.57 -0.44 -2.27 0.00 0.00 179.45 176.20 1rgu h ASP 381 N 1.09 0.01 0.00 4.20 3.32 -1.07 -3.32 116.42 120.64 1rgu h ASP 381 Ca 0.25 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1rgu h ASP 381 Cb 0.21 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1rgu h ASP 381 CO -0.02 1.02 0.00 1.41 -1.72 0.00 0.00 179.24 179.93 1rgu n HIS 382 N -3.12 0.00 -3.83 4.55 8.25 0.16 -5.00 115.22 116.24 1rgu n HIS 382 Ca -0.14 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.11 1rgu n HIS 382 Cb 1.03 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.12 1rgu n HIS 382 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rgu s ALA 383 N -0.15 3.96 0.07 -1.41 0.00 -1.04 -4.41 121.76 118.77 1rgu s ALA 383 Ca 0.00 -1.24 0.09 0.00 0.00 0.00 0.00 51.96 50.81 1rgu s ALA 383 Cb 0.00 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 1rgu s ALA 383 CO 0.00 0.17 -0.24 -1.54 0.00 0.00 0.00 175.76 174.15 1rgu s SER 384 N -4.02 2.84 0.30 0.00 1.04 -1.26 -3.42 113.70 109.17 1rgu s SER 384 Ca 0.36 -0.61 -0.28 0.00 0.48 0.00 0.00 55.95 55.91 1rgu s SER 384 Cb -0.09 -0.22 -0.09 0.00 0.10 0.00 0.00 66.02 65.71 1rgu s SER 384 CO 0.30 0.18 1.02 -0.55 0.98 0.00 0.00 173.24 175.17 1rgu s SER 385 N -1.45 7.29 0.41 7.02 0.15 -1.23 -4.72 113.70 121.17 1rgu s SER 385 Ca 0.10 2.05 0.07 0.00 0.70 0.00 0.00 55.95 58.87 1rgu s SER 385 Cb -0.10 -2.61 -0.06 0.00 -1.71 0.00 0.00 66.02 61.55 1rgu s SER 385 CO 0.03 -0.11 0.13 0.00 1.20 0.00 0.00 173.24 174.49 1rgu s MET 386 N -1.68 2.15 0.31 5.44 0.23 -1.26 -5.06 119.30 119.42 1rgu s MET 386 Ca 0.47 -1.91 -0.29 0.00 -1.03 0.00 0.00 55.69 52.93 1rgu s MET 386 Cb -0.26 -1.89 -0.10 0.00 -1.53 0.00 0.00 34.83 31.05 1rgu s MET 386 CO 0.33 -0.09 1.23 -2.14 -2.03 0.00 0.00 175.02 172.32 1rgu s PRO 387 N -3.84 4.45 -1.21 3.16 0.02 -1.26 -3.05 135.00 133.27 1rgu s PRO 387 Ca 0.39 2.06 -0.03 0.00 0.02 0.00 0.00 61.00 63.44 1rgu s PRO 387 Cb 0.05 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.47 1rgu s PRO 387 CO 0.21 -0.05 0.36 0.09 -0.33 0.00 0.00 177.00 177.29 1rgu n ASN 388 N 0.92 -4.94 0.17 2.53 5.03 -1.26 -4.89 115.26 112.83 1rgu n ASN 388 Ca -0.00 -0.17 0.17 0.00 0.87 0.00 0.00 54.58 55.44 1rgu n ASN 388 Cb 0.43 -3.85 0.79 0.00 -1.02 0.00 0.00 39.78 36.13 1rgu n ASN 388 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1rgu h ALA 389 N 0.75 1.93 0.00 5.41 0.00 -1.95 -0.82 119.26 124.59 1rgu h ALA 389 Ca -0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1rgu h ALA 389 Cb 1.28 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1rgu h ALA 389 CO 0.43 -0.34 -0.02 0.93 0.00 0.00 0.00 179.25 180.25 1rgu h GLU 390 N 0.00 0.00 -0.02 0.00 3.07 -1.90 -1.71 114.58 114.02 1rgu h GLU 390 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1rgu h GLU 390 Cb 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1rgu h GLU 390 CO -0.00 0.02 -0.25 -1.13 -1.40 0.00 0.00 179.01 176.24 1rgu n SER 391 N -3.35 2.45 -4.63 1.42 3.41 -0.31 -3.93 113.62 108.67 1rgu n SER 391 Ca -0.03 -1.73 -0.43 0.00 -0.26 0.00 0.00 58.87 56.43 1rgu n SER 391 Cb 0.12 0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 1rgu n SER 391 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1rgu s TRP 392 N -2.23 2.90 0.89 7.33 0.52 -0.65 -4.18 118.94 123.53 1rgu s TRP 392 Ca 0.22 0.99 -0.11 0.00 0.02 0.00 0.00 56.10 57.22 1rgu s TRP 392 Cb 0.19 -3.89 0.13 0.00 -1.15 0.00 0.00 33.47 28.75 1rgu s TRP 392 CO 0.44 -1.25 1.15 -2.14 0.02 0.00 0.00 176.95 175.17 1rgu s PRO 393 N 4.00 1.15 -0.09 4.98 0.02 -1.20 -4.67 135.00 139.18 1rgu s PRO 393 Ca 0.51 1.57 -0.01 0.00 0.02 0.00 0.00 61.00 63.08 1rgu s PRO 393 Cb -0.13 -1.74 -0.03 0.00 0.02 0.00 0.00 34.50 32.62 1rgu s PRO 393 CO 0.21 -2.54 -0.04 0.08 -0.33 0.00 0.00 177.00 174.39 1rgu s VAL 394 N -2.59 3.97 -0.11 3.83 1.01 -0.15 -3.36 120.40 123.00 1rgu s VAL 394 Ca 0.67 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.31 1rgu s VAL 394 Cb -0.23 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.50 1rgu s VAL 394 CO 0.57 0.58 -0.17 -0.69 0.00 0.00 0.00 175.10 175.39 1rgu s VAL 395 N -0.61 1.61 -0.03 2.92 1.01 -0.43 -0.90 120.40 123.97 1rgu s VAL 395 Ca 0.10 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.43 1rgu s VAL 395 Cb -0.12 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1rgu s VAL 395 CO 0.02 0.46 -0.25 -0.83 0.00 0.00 0.00 175.10 174.51 1rgu s GLY 396 N 0.87 1.30 -0.03 4.51 0.00 -0.53 -1.09 107.32 112.35 1rgu s GLY 396 Ca -0.09 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.54 1rgu s GLY 396 CO -0.00 -0.84 0.05 1.62 0.00 0.00 0.00 173.10 173.93 1rgu s GLN 397 N -0.51 -0.02 0.28 2.90 -0.44 0.88 -0.65 119.66 122.10 1rgu s GLN 397 Ca 0.07 0.24 -0.21 0.00 -2.50 0.00 0.00 55.36 52.96 1rgu s GLN 397 Cb -0.11 -0.26 0.03 0.00 -1.64 0.00 0.00 33.01 31.03 1rgu s GLN 397 CO 0.00 -0.19 0.76 -0.59 0.50 0.00 0.00 175.29 175.77 1rgu s PHE 398 N 1.21 -0.14 0.00 1.67 -0.71 -1.07 -1.04 117.98 117.89 1rgu s PHE 398 Ca -0.08 -0.33 0.00 0.00 -1.04 0.00 0.00 56.93 55.48 1rgu s PHE 398 Cb -0.13 0.72 0.00 0.00 -1.21 0.00 0.00 43.02 42.40 1rgu s PHE 398 CO -0.03 -1.24 0.43 -1.13 -1.34 0.00 0.00 175.22 171.90 1rgu n SER 399 N -0.59 0.80 -3.89 1.98 3.41 -1.26 -4.60 113.62 109.46 1rgu n SER 399 Ca -0.05 -1.12 -0.11 0.00 -0.26 0.00 0.00 58.87 57.34 1rgu n SER 399 Cb 0.59 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.43 1rgu n SER 399 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rgu s SER 400 N -0.12 0.05 -0.09 4.04 0.15 -1.26 -3.81 113.70 112.65 1rgu s SER 400 Ca 0.00 -0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.51 1rgu s SER 400 Cb 0.00 0.17 0.02 0.00 -1.71 0.00 0.00 66.02 64.50 1rgu s SER 400 CO 0.00 -0.23 -0.11 -0.69 1.20 0.00 0.00 173.24 173.41 1rgu s VAL 401 N -0.90 1.19 0.71 4.45 1.01 -1.26 -2.40 120.40 123.19 1rgu s VAL 401 Ca -0.10 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 1rgu s VAL 401 Cb -0.06 -1.12 0.08 0.00 0.00 0.00 0.00 36.38 35.28 1rgu s VAL 401 CO 0.00 0.38 1.00 -0.83 0.00 0.00 0.00 175.10 175.66 1rgu s GLY 402 N 1.07 1.73 -0.35 4.51 0.00 0.12 -4.83 107.32 109.56 1rgu s GLY 402 Ca -0.07 -1.11 -0.29 0.00 0.00 0.00 0.00 44.72 43.26 1rgu s GLY 402 CO -0.01 -0.67 1.35 -0.45 0.00 0.00 0.00 173.10 173.31 1rgu s SER 403 N -4.56 6.53 0.00 1.64 0.15 -1.26 -4.90 113.70 111.29 1rgu s SER 403 Ca 0.62 1.03 0.19 0.00 0.70 0.00 0.00 55.95 58.48 1rgu s SER 403 Cb -0.09 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.60 1rgu s SER 403 CO 0.44 -1.24 0.90 0.18 1.20 0.00 0.00 173.24 174.72 1rgu n LEU 404 N 8.14 1.48 0.00 3.45 4.77 -1.26 -4.71 117.00 128.87 1rgu n LEU 404 Ca 0.15 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1rgu n LEU 404 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1rgu n LEU 404 CO 0.66 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1rgu n GLY 405 N 1.34 1.91 0.18 -0.72 0.00 -1.26 -4.30 105.19 102.34 1rgu n GLY 405 Ca 0.06 -2.16 0.13 0.00 0.00 0.00 0.00 46.02 44.06 1rgu n GLY 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgu h ALA 406 N 0.00 1.00 -2.90 4.61 0.00 -1.98 -3.44 119.26 116.54 1rgu h ALA 406 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1rgu h ALA 406 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1rgu h ALA 406 CO 0.00 0.00 0.32 0.16 0.00 0.00 0.00 179.25 179.73 1rgu s ASP 407 N -4.49 -0.05 0.32 0.00 -4.77 -1.26 -4.96 116.67 101.45 1rgu s ASP 407 Ca 0.01 -0.95 0.25 0.00 -3.30 0.00 0.00 52.55 48.57 1rgu s ASP 407 Cb 0.09 0.76 1.12 0.00 -1.09 0.00 0.00 42.92 43.80 1rgu s ASP 407 CO 0.37 -1.49 1.75 1.05 0.70 0.00 0.00 175.17 177.55 1rgu h GLU 408 N 2.00 0.00 -0.00 2.11 4.11 -1.93 -2.95 114.58 117.93 1rgu h GLU 408 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1rgu h GLU 408 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1rgu h GLU 408 CO 0.36 0.00 -0.33 -1.13 0.07 0.00 0.00 179.01 177.98 1rgu n SER 409 N -2.36 0.37 0.13 3.06 3.41 -1.26 -0.20 113.62 116.76 1rgu n SER 409 Ca 0.01 -0.06 -0.02 0.00 -0.26 0.00 0.00 58.87 58.54 1rgu n SER 409 Cb 0.18 0.01 0.13 0.00 -0.26 0.00 0.00 64.21 64.27 1rgu n SER 409 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1rgu h LYS 410 N 0.05 0.00 0.00 4.33 1.79 -1.81 -3.40 116.57 117.53 1rgu h LYS 410 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1rgu h LYS 410 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1rgu h LYS 410 CO 0.00 0.67 0.00 1.87 -1.08 0.00 0.00 179.45 180.91 1rgu n TRP 411 N -3.71 -2.21 0.36 -1.35 -0.00 -1.26 -4.83 117.44 104.45 1rgu n TRP 411 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.50 57.33 1rgu n TRP 411 Cb 0.67 0.44 -0.08 0.00 -0.00 0.00 0.00 31.31 32.34 1rgu n TRP 411 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1rgu h LEU 412 N 0.00 -1.06 -1.20 5.87 5.85 -1.82 -0.39 115.31 122.57 1rgu h LEU 412 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1rgu h LEU 412 Cb 0.00 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1rgu h LEU 412 CO 0.00 -0.64 0.00 0.00 -0.34 0.00 0.00 178.44 177.46 1rgu n SER 414 N 0.45 0.00 -0.10 0.00 3.41 -1.18 -4.63 113.62 111.57 1rgu n SER 414 Ca 0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.68 1rgu n SER 414 Cb 0.41 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 1rgu n SER 414 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1rgu h GLU 415 N 0.00 0.48 0.57 4.33 4.11 -1.76 -2.10 114.58 120.22 1rgu h GLU 415 Ca 0.00 -0.13 -0.03 0.00 0.07 0.00 0.00 59.36 59.27 1rgu h GLU 415 Cb 0.00 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1rgu h GLU 415 CO 0.00 0.59 -0.28 0.35 0.07 0.00 0.00 179.01 179.74 1rgu h PHE 416 N 0.30 -0.71 -0.27 2.06 3.57 -1.17 -1.70 116.94 119.02 1rgu h PHE 416 Ca 0.09 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1rgu h PHE 416 Cb 0.34 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1rgu h PHE 416 CO 0.02 -0.39 -0.02 -0.22 -2.23 0.00 0.00 178.31 175.48 1rgu h LYS 417 N -0.93 0.41 -0.74 1.11 3.64 -1.09 -2.25 116.57 116.72 1rgu h LYS 417 Ca -0.08 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1rgu h LYS 417 Cb 0.64 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 1rgu h LYS 417 CO 0.13 0.46 0.45 0.93 -2.27 0.00 0.00 179.45 179.15 1rgu h GLU 418 N 0.40 0.83 -0.41 1.90 4.39 -1.26 0.23 114.58 120.66 1rgu h GLU 418 Ca 0.09 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 1rgu h GLU 418 Cb 0.29 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1rgu h GLU 418 CO 0.01 0.55 0.08 0.77 -1.16 0.00 0.00 179.01 179.26 1rgu h SER 419 N 0.85 0.63 1.53 1.42 0.02 -0.88 -3.19 113.55 113.94 1rgu h SER 419 Ca 0.31 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1rgu h SER 419 Cb 0.10 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1rgu h SER 419 CO -0.15 0.72 -0.11 0.24 -1.14 0.00 0.00 176.83 176.40 1rgu h MET 420 N 0.52 0.00 -0.02 3.45 2.86 -0.77 -2.93 114.93 118.05 1rgu h MET 420 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1rgu h MET 420 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1rgu h MET 420 CO 0.01 0.11 -0.11 1.47 1.06 0.00 0.00 176.91 179.45 1rgu n LEU 421 N -3.16 1.63 -4.73 1.22 -0.00 0.71 -4.92 117.00 107.76 1rgu n LEU 421 Ca 0.02 -0.53 -0.42 0.00 -0.00 0.00 0.00 56.01 55.09 1rgu n LEU 421 Cb 0.49 -0.03 -0.02 0.00 -0.00 0.00 0.00 43.42 43.85 1rgu n LEU 421 CO 0.33 0.28 1.34 -0.89 -0.00 0.00 0.00 177.39 178.45 1rgu s THR 422 N -2.17 2.01 -0.31 1.47 2.01 -1.11 -4.98 115.64 112.56 1rgu s THR 422 Ca 0.31 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.34 1rgu s THR 422 Cb 0.20 -3.01 0.15 0.00 0.01 0.00 0.00 72.50 69.86 1rgu s THR 422 CO 0.40 0.00 0.37 -0.76 -0.69 0.00 0.00 174.62 173.94 1rgu s LEU 423 N 0.61 -0.43 0.00 4.42 1.43 -1.26 -4.65 118.68 118.80 1rgu s LEU 423 Ca 0.71 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1rgu s LEU 423 Cb -0.49 0.78 0.00 0.00 0.03 0.00 0.00 46.19 46.51 1rgu s LEU 423 CO 0.37 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.23 1rgu n GLY 424 N 5.03 1.52 4.88 -3.19 0.00 -0.77 -3.57 105.19 109.08 1rgu n GLY 424 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1rgu n GLY 424 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rgu n SER 434 N 1.65 0.00 -4.70 1.61 2.88 -1.26 -4.52 113.62 109.28 1rgu n SER 434 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1rgu n SER 434 Cb 0.00 -0.28 -0.03 0.00 -0.75 0.00 0.00 64.21 63.15 1rgu n SER 434 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1rgu s VAL 435 N -0.08 2.80 0.34 2.46 1.01 -1.25 -4.96 120.40 120.73 1rgu s VAL 435 Ca 0.00 0.43 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 1rgu s VAL 435 Cb 0.00 -3.27 -0.10 0.00 0.00 0.00 0.00 36.38 33.00 1rgu s VAL 435 CO 0.00 0.01 1.36 -2.84 0.00 0.00 0.00 175.10 173.64 1rgu s PRO 436 N 1.98 4.28 -0.19 2.72 0.02 -1.26 -4.87 135.00 137.68 1rgu s PRO 436 Ca 0.73 2.33 0.01 0.00 0.02 0.00 0.00 61.00 64.09 1rgu s PRO 436 Cb -0.42 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.09 1rgu s PRO 436 CO 0.32 -0.30 -0.17 -1.17 -0.33 0.00 0.00 177.00 175.35 1rgu s LEU 437 N -1.85 2.31 -0.23 -5.54 2.96 -1.26 -0.98 118.68 114.09 1rgu s LEU 437 Ca 0.50 -0.77 -0.07 0.00 -0.22 0.00 0.00 54.13 53.57 1rgu s LEU 437 Cb -0.42 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 1rgu s LEU 437 CO 0.56 -0.05 0.07 -0.31 -1.32 0.00 0.00 176.35 175.30 1rgu s TYR 438 N 1.29 3.13 -0.17 5.38 1.51 -0.08 -4.94 117.35 123.48 1rgu s TYR 438 Ca 0.02 -0.25 -0.04 0.00 -1.01 0.00 0.00 57.07 55.80 1rgu s TYR 438 Cb -0.14 -2.19 -0.02 0.00 -0.11 0.00 0.00 41.96 39.49 1rgu s TYR 438 CO -0.11 -0.20 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.58 1rgu s LEU 439 N 1.23 3.16 -0.26 -1.29 1.43 -0.91 -1.46 118.68 120.58 1rgu s LEU 439 Ca 0.05 -0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 52.87 1rgu s LEU 439 Cb -0.14 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1rgu s LEU 439 CO 0.03 0.13 0.11 -0.63 0.23 0.00 0.00 176.35 176.23 1rgu s ILE 440 N 0.61 4.68 -0.21 -0.59 1.01 0.17 0.10 121.20 126.98 1rgu s ILE 440 Ca -0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.43 1rgu s ILE 440 Cb -0.14 -3.21 0.06 0.00 0.01 0.00 0.00 42.46 39.18 1rgu s ILE 440 CO 0.02 0.31 0.54 -0.47 0.00 0.00 0.00 174.94 175.34 1rgu s TYR 441 N 1.65 -0.70 0.21 3.97 6.14 -0.72 -2.61 117.35 125.28 1rgu s TYR 441 Ca 0.07 1.56 -0.32 0.00 0.64 0.00 0.00 57.07 59.01 1rgu s TYR 441 Cb -0.15 0.32 -0.13 0.00 0.42 0.00 0.00 41.96 42.41 1rgu s TYR 441 CO 0.06 -0.36 1.56 -2.30 0.64 0.00 0.00 175.55 175.15 1rgu n PRO 442 N 3.56 2.30 -1.60 4.97 -0.02 -1.26 -4.34 135.00 138.60 1rgu n PRO 442 Ca -0.18 0.82 -0.30 0.00 -2.02 0.00 0.00 63.50 61.82 1rgu n PRO 442 Cb 0.57 -2.58 0.07 0.00 -0.02 0.00 0.00 33.50 31.54 1rgu n PRO 442 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1rgu s SER 443 N 0.72 4.86 0.23 2.55 1.04 -1.26 -1.14 113.70 120.70 1rgu s SER 443 Ca 0.73 1.37 -0.06 0.00 0.48 0.00 0.00 55.95 58.47 1rgu s SER 443 Cb -0.62 -2.16 0.38 0.00 0.10 0.00 0.00 66.02 63.72 1rgu s SER 443 CO 0.42 -1.74 1.75 0.58 0.98 0.00 0.00 173.24 175.22 1rgu h VAL 444 N -0.93 0.74 -0.45 5.02 2.07 -1.05 -1.91 116.25 119.73 1rgu h VAL 444 Ca -0.46 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1rgu h VAL 444 Cb 1.25 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1rgu h VAL 444 CO 0.59 0.09 0.13 -0.08 0.02 0.00 0.00 177.57 178.32 1rgu h GLU 445 N 0.49 0.67 -0.22 1.57 4.57 -1.93 0.18 114.58 119.90 1rgu h GLU 445 Ca 0.37 -0.11 0.04 0.00 -1.18 0.00 0.00 59.36 58.48 1rgu h GLU 445 Cb 0.49 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.93 1rgu h GLU 445 CO -0.34 0.60 -0.06 -0.91 -1.18 0.00 0.00 179.01 177.12 1rgu h ASN 446 N 0.66 -0.21 0.12 1.04 -0.26 -1.73 -1.82 115.58 113.38 1rgu h ASN 446 Ca 0.15 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.95 1rgu h ASN 446 Cb 0.22 0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1rgu h ASN 446 CO -0.01 -0.08 -0.06 0.58 -1.06 0.00 0.00 177.43 176.81 1rgu h VAL 447 N -0.00 1.02 -0.70 2.81 2.07 -0.96 -2.82 116.25 117.67 1rgu h VAL 447 Ca 0.11 -0.60 0.14 0.00 0.82 0.00 0.00 66.70 67.17 1rgu h VAL 447 Cb 0.17 1.39 -0.10 0.00 -1.52 0.00 0.00 31.29 31.23 1rgu h VAL 447 CO -0.23 0.14 0.21 -0.09 0.02 0.00 0.00 177.57 177.62 1rgu h ARG 448 N -0.45 0.33 -0.26 1.57 2.43 -0.63 -1.57 114.38 115.80 1rgu h ARG 448 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1rgu h ARG 448 Cb 0.36 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1rgu h ARG 448 CO 0.03 0.22 0.00 0.25 -1.51 0.00 0.00 179.97 178.95 1rgu n THR 449 N -5.08 0.34 -1.89 0.20 -2.24 -0.69 -2.61 114.28 102.31 1rgu n THR 449 Ca 0.12 -0.39 -0.29 0.00 -2.27 0.00 0.00 64.05 61.22 1rgu n THR 449 Cb 0.40 0.26 0.12 0.00 -2.10 0.00 0.00 70.33 69.00 1rgu n THR 449 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1rgu s SER 450 N -1.23 4.04 0.34 3.42 1.04 -0.59 -4.88 113.70 115.84 1rgu s SER 450 Ca 0.26 0.65 0.05 0.00 0.48 0.00 0.00 55.95 57.39 1rgu s SER 450 Cb 0.14 -1.02 0.69 0.00 0.10 0.00 0.00 66.02 65.93 1rgu s SER 450 CO 0.19 -2.18 1.92 -0.07 0.98 0.00 0.00 173.24 174.08 1rgu h LEU 451 N -1.25 0.74 0.00 2.42 3.38 -1.11 -2.66 115.31 116.84 1rgu h LEU 451 Ca -0.46 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1rgu h LEU 451 Cb 1.30 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1rgu h LEU 451 CO 0.58 0.45 -1.07 -0.62 0.09 0.00 0.00 178.44 177.87 1rgu n GLU 452 N -4.51 0.47 0.00 1.13 1.02 -1.26 -4.93 120.64 112.56 1rgu n GLU 452 Ca 0.14 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1rgu n GLU 452 Cb 0.29 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1rgu n GLU 452 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rgu n GLY 453 N 1.27 -0.74 0.37 0.62 0.00 -1.00 -4.03 105.19 101.68 1rgu n GLY 453 Ca 0.01 -1.15 0.19 0.00 0.00 0.00 0.00 46.02 45.07 1rgu n GLY 453 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1rgu h TYR 454 N 0.00 0.90 -0.59 1.61 0.05 -1.80 -1.24 116.97 115.89 1rgu h TYR 454 Ca 0.00 0.03 0.17 0.00 0.05 0.00 0.00 58.73 58.98 1rgu h TYR 454 Cb 0.00 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.46 1rgu h TYR 454 CO 0.00 0.07 0.49 -1.35 -1.05 0.00 0.00 178.16 176.31 1rgu h PRO 455 N 0.52 0.00 -0.95 4.88 0.11 -1.93 0.56 132.00 135.19 1rgu h PRO 455 Ca 0.63 0.00 0.27 0.00 0.11 0.00 0.00 66.00 67.01 1rgu h PRO 455 Cb 1.32 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.39 1rgu h PRO 455 CO -0.41 0.00 0.68 0.00 -0.21 0.00 0.00 178.00 178.05 1rgu h ALA 456 N 1.58 2.81 0.00 -0.75 0.00 -1.43 0.11 119.26 121.58 1rgu h ALA 456 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1rgu h ALA 456 Cb 1.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1rgu h ALA 456 CO -0.00 -1.09 0.00 0.41 0.00 0.00 0.00 179.25 178.56 1rgu n GLY 457 N -1.70 -1.11 0.22 0.00 0.00 0.20 -2.08 105.19 100.72 1rgu n GLY 457 Ca 0.20 0.12 0.16 0.00 0.00 0.00 0.00 46.02 46.50 1rgu n GLY 457 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rgu h GLY 458 N 1.44 0.00 -1.63 -0.02 0.00 -0.92 -2.62 103.07 99.31 1rgu h GLY 458 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rgu h GLY 458 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 1rgu n SER 459 N -2.73 3.52 -3.34 0.19 7.64 -0.89 -4.61 113.62 113.41 1rgu n SER 459 Ca 0.01 -2.43 -0.26 0.00 1.01 0.00 0.00 58.87 57.20 1rgu n SER 459 Cb 0.24 -0.39 -0.08 0.00 -1.01 0.00 0.00 64.21 62.97 1rgu n SER 459 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rgu n LEU 460 N 0.23 2.36 -2.05 -3.43 4.77 -0.99 -4.86 117.00 113.04 1rgu n LEU 460 Ca 0.17 -5.15 -0.14 0.00 -0.03 0.00 0.00 56.01 50.86 1rgu n LEU 460 Cb 0.66 -0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 41.47 1rgu n LEU 460 CO 0.13 2.06 1.52 -0.81 -1.33 0.00 0.00 177.39 178.95 1rgu n PRO 461 N 1.09 1.96 -2.46 3.23 -0.04 -1.25 -4.37 135.00 133.17 1rgu n PRO 461 Ca 0.26 -1.22 -0.43 0.00 -0.04 0.00 0.00 63.50 62.08 1rgu n PRO 461 Cb 0.46 -1.89 -0.02 0.00 -0.04 0.00 0.00 33.50 32.00 1rgu n PRO 461 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1rgu s TYR 462 N 0.12 3.01 0.07 0.54 5.04 -1.26 -4.79 117.35 120.08 1rgu s TYR 462 Ca 0.55 1.12 0.01 0.00 -2.44 0.00 0.00 57.07 56.32 1rgu s TYR 462 Cb 0.29 -3.45 -0.04 0.00 0.35 0.00 0.00 41.96 39.11 1rgu s TYR 462 CO -0.05 -1.45 0.16 -1.54 -1.34 0.00 0.00 175.55 171.33 1rgu s SER 463 N 1.73 5.99 0.41 4.32 1.04 -1.26 -0.80 113.70 125.13 1rgu s SER 463 Ca 0.54 0.14 0.08 0.00 0.48 0.00 0.00 55.95 57.19 1rgu s SER 463 Cb -0.22 -1.75 0.87 0.00 0.10 0.00 0.00 66.02 65.02 1rgu s SER 463 CO 0.16 0.17 2.03 -0.29 0.98 0.00 0.00 173.24 176.29 1rgu h ILE 464 N 2.27 1.05 -0.55 -1.02 6.09 -1.92 -0.15 117.51 123.29 1rgu h ILE 464 Ca -0.46 -0.19 0.10 0.00 -1.37 0.00 0.00 64.86 62.93 1rgu h ILE 464 Cb 1.16 0.44 -0.03 0.00 0.47 0.00 0.00 36.82 38.86 1rgu h ILE 464 CO 0.71 0.10 0.37 1.56 -3.07 0.00 0.00 178.15 177.83 1rgu h GLN 465 N 0.57 0.32 0.01 2.19 7.50 -1.97 -0.79 115.11 122.93 1rgu h GLN 465 Ca 0.20 -0.02 -0.20 0.00 0.50 0.00 0.00 58.65 59.13 1rgu h GLN 465 Cb 0.10 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 27.53 1rgu h GLN 465 CO -0.05 0.21 -1.06 1.15 -1.50 0.00 0.00 178.83 177.58 1rgu h THR 466 N 0.33 1.07 -0.87 -0.54 2.02 -1.48 -3.37 112.91 110.06 1rgu h THR 466 Ca 0.25 -2.22 0.16 0.00 0.77 0.00 0.00 66.41 65.38 1rgu h THR 466 Cb 0.55 2.46 -0.10 0.00 -1.74 0.00 0.00 68.15 69.32 1rgu h THR 466 CO -0.06 0.39 0.45 0.00 0.37 0.00 0.00 175.52 176.67 1rgu h ALA 467 N -0.37 1.35 0.00 6.16 0.00 -1.00 -1.27 119.26 124.12 1rgu h ALA 467 Ca -0.29 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1rgu h ALA 467 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1rgu h ALA 467 CO -0.16 -0.13 0.00 1.05 0.00 0.00 0.00 179.25 180.01 1rgu h GLU 468 N 0.60 0.00 0.00 0.00 4.11 -1.33 -0.08 114.58 117.88 1rgu h GLU 468 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.92 1rgu h GLU 468 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1rgu h GLU 468 CO -0.39 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.32 1rgu n LYS 469 N -2.95 0.12 -2.72 1.06 5.02 -0.48 -4.43 118.16 113.77 1rgu n LYS 469 Ca 0.01 0.23 -0.05 0.00 -2.02 0.00 0.00 58.31 56.49 1rgu n LYS 469 Cb 0.31 -1.68 0.08 0.00 -0.02 0.00 0.00 35.03 33.72 1rgu n LYS 469 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rgu n GLN 470 N -1.89 1.36 -0.23 1.97 10.64 -0.06 -4.65 117.38 124.53 1rgu n GLN 470 Ca 0.04 -2.60 0.16 0.00 -1.83 0.00 0.00 57.00 52.78 1rgu n GLN 470 Cb 0.29 -0.74 0.47 0.00 -0.86 0.00 0.00 30.24 29.40 1rgu n GLN 470 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 1rgu h ASN 471 N 2.28 0.47 -1.16 2.61 2.35 -1.74 0.05 115.58 120.44 1rgu h ASN 471 Ca -0.22 0.04 0.36 0.00 -0.55 0.00 0.00 56.30 55.93 1rgu h ASN 471 Cb 1.25 -0.05 -0.12 0.00 0.05 0.00 0.00 38.32 39.45 1rgu h ASN 471 CO 0.15 0.22 0.73 4.11 -1.65 0.00 0.00 177.43 180.99 1rgu h TRP 472 N 0.49 0.66 0.00 1.19 5.08 -1.91 -0.08 115.95 121.38 1rgu h TRP 472 Ca 0.44 0.03 -0.04 0.00 1.08 0.00 0.00 58.89 60.39 1rgu h TRP 472 Cb 0.96 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 26.94 1rgu h TRP 472 CO -0.00 -0.13 -0.20 1.25 -1.28 0.00 0.00 178.44 178.08 1rgu h LEU 473 N 0.23 0.00 -0.84 0.11 5.85 -1.38 -3.11 115.31 116.17 1rgu h LEU 473 Ca 0.73 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.45 1rgu h LEU 473 Cb 2.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.08 1rgu h LEU 473 CO -0.43 0.20 0.00 0.45 -0.34 0.00 0.00 178.44 178.32 1rgu h HIS 474 N 0.00 0.00 0.00 1.25 3.86 -1.15 -1.60 115.15 117.51 1rgu h HIS 474 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1rgu h HIS 474 Cb 0.42 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1rgu h HIS 474 CO 0.00 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 177.66 1rgu n SER 475 N -2.71 0.00 0.02 2.45 3.41 -1.18 -1.74 113.62 113.87 1rgu n SER 475 Ca 0.02 -0.09 0.12 0.00 -0.26 0.00 0.00 58.87 58.66 1rgu n SER 475 Cb 0.33 -0.27 0.15 0.00 -0.26 0.00 0.00 64.21 64.16 1rgu n SER 475 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1rgu n TYR 476 N -1.27 0.18 -2.69 7.33 4.01 -0.60 -4.97 117.16 119.15 1rgu n TYR 476 Ca 0.12 0.05 -0.41 0.00 -0.16 0.00 0.00 57.90 57.50 1rgu n TYR 476 Cb 0.19 -0.36 -0.04 0.00 -0.31 0.00 0.00 39.34 38.81 1rgu n TYR 476 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1rgu s PHE 477 N -3.08 3.77 0.13 -0.72 2.99 -0.71 -2.15 117.98 118.21 1rgu s PHE 477 Ca 0.08 1.76 0.11 0.00 0.00 0.00 0.00 56.93 58.87 1rgu s PHE 477 Cb 0.16 -3.10 -0.04 0.00 0.00 0.00 0.00 43.02 40.04 1rgu s PHE 477 CO 0.74 0.05 -0.26 -1.01 -0.00 0.00 0.00 175.22 174.74 1rgu s HIS 478 N 0.03 2.23 0.74 0.36 3.76 0.29 -2.63 115.29 120.07 1rgu s HIS 478 Ca 0.48 -0.38 -0.14 0.00 -0.15 0.00 0.00 55.06 54.86 1rgu s HIS 478 Cb -0.24 -1.20 0.04 0.00 1.11 0.00 0.00 32.58 32.29 1rgu s HIS 478 CO 0.30 0.34 1.17 0.15 -0.85 0.00 0.00 174.74 175.85 1rgu s LYS 479 N -2.10 2.17 -0.03 1.40 1.02 0.92 -1.76 119.74 121.36 1rgu s LYS 479 Ca 0.14 1.63 -0.30 0.00 0.02 0.00 0.00 55.97 57.46 1rgu s LYS 479 Cb -0.10 -1.85 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 1rgu s LYS 479 CO 0.06 -1.79 1.11 -0.46 -0.92 0.00 0.00 175.35 173.36 1rgu s TRP 480 N -2.17 3.41 -0.11 3.18 -0.11 -1.26 -4.52 118.94 117.37 1rgu s TRP 480 Ca 0.71 1.42 -0.07 0.00 1.22 0.00 0.00 56.10 59.38 1rgu s TRP 480 Cb -0.26 -3.31 0.04 0.00 -1.50 0.00 0.00 33.47 28.44 1rgu s TRP 480 CO 0.46 -0.80 0.27 0.45 -4.62 0.00 0.00 176.95 172.71 1rgu s SER 481 N 1.20 -0.30 -0.32 5.86 0.15 -1.26 -4.97 113.70 114.06 1rgu s SER 481 Ca 0.54 0.57 0.16 0.00 0.70 0.00 0.00 55.95 57.92 1rgu s SER 481 Cb -0.24 0.49 0.44 0.00 -1.71 0.00 0.00 66.02 65.00 1rgu s SER 481 CO 0.24 -0.15 1.32 0.00 1.20 0.00 0.00 173.24 175.85 1rgu n ALA 482 N 3.87 2.60 -0.35 5.45 0.00 -1.26 -1.21 120.51 129.61 1rgu n ALA 482 Ca -0.22 -1.81 0.17 0.00 0.00 0.00 0.00 53.44 51.58 1rgu n ALA 482 Cb 0.55 -0.88 0.37 0.00 0.00 0.00 0.00 19.45 19.49 1rgu n ALA 482 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1rgu h GLU 483 N 1.86 0.59 -0.65 0.00 4.39 -1.91 -0.12 114.58 118.74 1rgu h GLU 483 Ca -0.29 -0.04 0.19 0.00 0.34 0.00 0.00 59.36 59.56 1rgu h GLU 483 Cb 1.28 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.77 1rgu h GLU 483 CO 0.02 0.39 0.56 0.00 -1.16 0.00 0.00 179.01 178.82 1rgu h THR 484 N 0.61 0.46 0.00 1.13 1.03 -1.87 -0.70 112.91 113.57 1rgu h THR 484 Ca 0.63 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 67.03 1rgu h THR 484 Cb 1.16 0.59 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 1rgu h THR 484 CO -0.46 0.00 -0.14 -1.54 -0.01 0.00 0.00 175.52 173.37 1rgu n SER 485 N -3.98 1.41 -1.63 0.00 3.41 -0.58 -1.80 113.62 110.44 1rgu n SER 485 Ca 0.13 -2.42 -0.15 0.00 -0.26 0.00 0.00 58.87 56.17 1rgu n SER 485 Cb 0.81 -0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 64.48 1rgu n SER 485 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rgu n GLY 486 N -0.75 0.13 0.27 5.00 0.00 -0.27 -4.90 105.19 104.67 1rgu n GLY 486 Ca 0.07 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1rgu n GLY 486 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rgu n ARG 487 N -2.50 0.98 0.11 1.61 1.74 -0.16 -4.75 116.66 113.70 1rgu n ARG 487 Ca -0.18 -2.28 0.11 0.00 -0.77 0.00 0.00 57.85 54.74 1rgu n ARG 487 Cb 0.61 -1.23 0.61 0.00 -1.02 0.00 0.00 32.46 31.43 1rgu n ARG 487 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1rgu h SER 488 N 0.14 0.10 -0.09 0.55 0.02 -1.91 -1.98 113.55 110.38 1rgu h SER 488 Ca -0.01 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1rgu h SER 488 Cb 1.12 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1rgu h SER 488 CO 0.00 0.07 0.00 0.59 -1.14 0.00 0.00 176.83 176.35 1rgu n ASN 489 N -4.48 2.73 -4.33 3.07 5.03 -1.26 -4.74 115.26 111.28 1rgu n ASN 489 Ca 0.03 -1.89 -0.46 0.00 0.87 0.00 0.00 54.58 53.13 1rgu n ASN 489 Cb 0.27 -0.04 -0.04 0.00 -1.02 0.00 0.00 39.78 38.94 1rgu n ASN 489 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1rgu s ALA 490 N -1.92 3.66 0.34 5.41 0.00 -0.75 -0.50 121.76 128.00 1rgu s ALA 490 Ca 0.32 -2.61 -0.28 0.00 0.00 0.00 0.00 51.96 49.39 1rgu s ALA 490 Cb 0.20 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.80 1rgu s ALA 490 CO 0.31 -2.18 1.32 -1.33 0.00 0.00 0.00 175.76 173.88 1rgu n MET 491 N 5.34 2.17 -2.54 0.00 2.81 -1.24 -2.97 117.12 120.68 1rgu n MET 491 Ca -0.07 0.76 -0.42 0.00 -1.81 0.00 0.00 57.70 56.16 1rgu n MET 491 Cb 0.42 -2.36 -0.03 0.00 -0.71 0.00 0.00 33.22 30.54 1rgu n MET 491 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1rgu s PRO 492 N -1.76 4.50 0.00 0.03 0.04 -1.26 -1.18 135.00 135.37 1rgu s PRO 492 Ca 0.56 1.63 0.01 0.00 0.04 0.00 0.00 61.00 63.24 1rgu s PRO 492 Cb -0.57 -3.39 -0.00 0.00 0.04 0.00 0.00 34.50 30.59 1rgu s PRO 492 CO 0.61 -0.14 0.26 1.58 0.04 0.00 0.00 177.00 179.34 1rgu n HIS 493 N 3.78 0.00 -1.45 0.56 -0.00 0.02 -4.70 115.22 113.43 1rgu n HIS 493 Ca 0.07 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.92 1rgu n HIS 493 Cb 0.48 0.00 0.08 0.00 -0.12 0.00 0.00 29.99 30.44 1rgu n HIS 493 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 1rgu s ILE 494 N -0.59 2.67 -0.05 3.57 2.07 -0.51 -4.82 121.20 123.54 1rgu s ILE 494 Ca 0.00 0.30 0.02 0.00 -1.41 0.00 0.00 60.65 59.56 1rgu s ILE 494 Cb 0.00 -2.79 0.02 0.00 0.13 0.00 0.00 42.46 39.82 1rgu s ILE 494 CO 0.02 -0.20 -0.08 -0.54 -1.91 0.00 0.00 174.94 172.23 1rgu s LYS 495 N -4.12 1.16 0.04 3.50 3.01 -1.25 -4.38 119.74 117.70 1rgu s LYS 495 Ca 0.70 -0.25 -0.07 0.00 -1.01 0.00 0.00 55.97 55.34 1rgu s LYS 495 Cb -0.25 -1.04 -0.01 0.00 -1.01 0.00 0.00 37.83 35.52 1rgu s LYS 495 CO 0.46 -0.00 0.13 0.95 0.51 0.00 0.00 175.35 177.40 1rgu s THR 496 N 0.68 0.12 -0.02 2.17 -4.23 -0.21 -2.09 115.64 112.07 1rgu s THR 496 Ca -0.11 -0.99 -0.03 0.00 -1.18 0.00 0.00 61.69 59.38 1rgu s THR 496 Cb -0.14 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 72.85 1rgu s THR 496 CO 0.02 -0.55 0.07 -0.31 -0.54 0.00 0.00 174.62 173.31 1rgu s TYR 497 N -2.48 -0.04 0.21 3.99 2.02 -0.54 -0.08 117.35 120.43 1rgu s TYR 497 Ca -0.06 0.10 -0.20 0.00 -0.37 0.00 0.00 57.07 56.54 1rgu s TYR 497 Cb -0.02 -0.00 0.04 0.00 -0.40 0.00 0.00 41.96 41.58 1rgu s TYR 497 CO -0.04 -0.08 0.60 0.00 -1.57 0.00 0.00 175.55 174.47 1rgu s MET 498 N -0.24 1.49 -0.57 -0.62 0.23 -0.25 0.32 119.30 119.66 1rgu s MET 498 Ca -0.03 -0.81 0.04 0.00 -1.03 0.00 0.00 55.69 53.86 1rgu s MET 498 Cb -0.02 0.57 0.15 0.00 -1.53 0.00 0.00 34.83 33.99 1rgu s MET 498 CO 0.00 -0.65 0.35 0.50 -2.03 0.00 0.00 175.02 173.19 1rgu s ARG 499 N -3.86 1.97 0.69 3.16 6.06 -1.10 -1.31 118.95 124.56 1rgu s ARG 499 Ca 0.08 -2.77 -0.12 0.00 -2.50 0.00 0.00 55.73 50.42 1rgu s ARG 499 Cb -0.03 -3.05 0.01 0.00 0.06 0.00 0.00 34.95 31.94 1rgu s ARG 499 CO -0.02 -1.21 1.07 -1.25 -2.50 0.00 0.00 175.30 171.39 1rgu s PRO 500 N -0.62 2.83 0.95 5.12 0.04 -1.21 -0.70 135.00 141.40 1rgu s PRO 500 Ca 0.21 1.12 -0.12 0.00 0.04 0.00 0.00 61.00 62.25 1rgu s PRO 500 Cb -0.15 -1.97 0.16 0.00 0.04 0.00 0.00 34.50 32.58 1rgu s PRO 500 CO -0.08 -1.20 1.12 -1.54 0.04 0.00 0.00 177.00 175.35 1rgu s SER 501 N -3.33 3.17 0.41 6.66 1.04 0.60 -3.24 113.70 119.00 1rgu s SER 501 Ca 0.61 1.02 0.12 0.00 0.48 0.00 0.00 55.95 58.18 1rgu s SER 501 Cb -0.16 -1.62 0.96 0.00 0.10 0.00 0.00 66.02 65.30 1rgu s SER 501 CO 0.50 -2.77 1.95 -0.65 0.98 0.00 0.00 173.24 173.25 1rgu h PRO 502 N -1.65 0.49 -0.67 4.02 0.11 -1.92 -0.30 132.00 132.09 1rgu h PRO 502 Ca -0.52 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1rgu h PRO 502 Cb 1.33 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1rgu h PRO 502 CO 0.60 0.33 0.00 -0.40 -0.21 0.00 0.00 178.00 178.32 1rgu n ASP 503 N -4.48 4.11 -1.33 -2.05 5.75 -1.26 -4.94 116.55 112.35 1rgu n ASP 503 Ca 0.12 -2.23 -0.17 0.00 -0.01 0.00 0.00 54.79 52.50 1rgu n ASP 503 Cb 0.39 -0.51 -0.07 0.00 -1.03 0.00 0.00 41.12 39.89 1rgu n ASP 503 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1rgu n PHE 504 N 1.25 0.00 0.49 2.11 3.01 -0.12 -4.81 117.46 119.39 1rgu n PHE 504 Ca 0.24 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.81 1rgu n PHE 504 Cb 0.72 -3.16 0.13 0.00 -0.01 0.00 0.00 39.48 37.16 1rgu n PHE 504 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1rgu h SER 505 N 0.00 0.00 -5.39 4.37 4.64 -1.92 -3.45 113.55 111.80 1rgu h SER 505 Ca -0.35 -0.19 -0.15 0.00 -0.47 0.00 0.00 61.79 60.63 1rgu h SER 505 Cb 1.26 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.22 1rgu h SER 505 CO 0.52 0.10 -0.41 -1.59 -0.87 0.00 0.00 176.83 174.58 1rgu s LYS 506 N -3.20 1.24 0.03 4.77 -2.85 -1.26 -0.97 119.74 117.50 1rgu s LYS 506 Ca 0.05 -1.38 0.01 0.00 -1.00 0.00 0.00 55.97 53.65 1rgu s LYS 506 Cb 0.13 0.35 -0.02 0.00 -2.06 0.00 0.00 37.83 36.23 1rgu s LYS 506 CO 0.74 -0.45 -0.05 0.96 0.10 0.00 0.00 175.35 176.65 1rgu s ILE 507 N -4.05 0.33 -0.77 3.79 -4.36 -0.04 -0.29 121.20 115.80 1rgu s ILE 507 Ca 0.27 -0.86 0.26 0.00 -0.26 0.00 0.00 60.65 60.05 1rgu s ILE 507 Cb 0.04 -0.42 0.14 0.00 1.25 0.00 0.00 42.46 43.47 1rgu s ILE 507 CO 0.06 -0.35 1.55 0.00 0.24 0.00 0.00 174.94 176.45 1rgu n ALA 508 N 1.76 2.74 -3.59 2.27 0.00 0.13 -1.56 120.51 122.27 1rgu n ALA 508 Ca -0.22 -0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.06 1rgu n ALA 508 Cb 0.55 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 1rgu n ALA 508 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1rgu s TRP 509 N -3.10 -0.01 -0.08 0.00 1.48 -1.26 -4.29 118.94 111.68 1rgu s TRP 509 Ca 0.09 -0.00 -0.07 0.00 -1.06 0.00 0.00 56.10 55.06 1rgu s TRP 509 Cb 0.14 0.51 0.02 0.00 -1.16 0.00 0.00 33.47 32.98 1rgu s TRP 509 CO 0.65 -0.05 0.21 0.12 -4.06 0.00 0.00 176.95 173.82 1rgu s PHE 510 N -2.09 -0.23 -0.09 1.66 5.36 -0.91 -2.73 117.98 118.95 1rgu s PHE 510 Ca 0.14 0.56 0.01 0.00 -0.96 0.00 0.00 56.93 56.67 1rgu s PHE 510 Cb 0.04 0.08 0.02 0.00 -0.34 0.00 0.00 43.02 42.82 1rgu s PHE 510 CO -0.05 -0.12 -0.11 -1.17 -1.46 0.00 0.00 175.22 172.32 1rgu s LEU 511 N 0.09 1.50 -0.11 6.12 2.96 0.15 -0.90 118.68 128.48 1rgu s LEU 511 Ca -0.00 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1rgu s LEU 511 Cb -0.02 -0.87 -0.03 0.00 0.50 0.00 0.00 46.19 45.78 1rgu s LEU 511 CO 0.00 -0.02 -0.06 0.54 -1.32 0.00 0.00 176.35 175.48 1rgu s VAL 512 N 1.08 3.69 0.22 1.68 0.11 -1.00 -1.47 120.40 124.71 1rgu s VAL 512 Ca -0.06 -0.46 -0.18 0.00 -2.93 0.00 0.00 61.98 58.35 1rgu s VAL 512 Cb -0.14 -2.56 0.03 0.00 -1.53 0.00 0.00 36.38 32.17 1rgu s VAL 512 CO -0.01 0.55 0.57 0.28 -3.33 0.00 0.00 175.10 173.15 1rgu s THR 513 N -0.20 0.01 -0.88 5.04 -1.32 -0.89 -0.29 115.64 117.12 1rgu s THR 513 Ca 0.03 -0.85 0.27 0.00 -1.21 0.00 0.00 61.69 59.92 1rgu s THR 513 Cb -0.13 -1.71 0.19 0.00 -1.51 0.00 0.00 72.50 69.34 1rgu s THR 513 CO 0.03 -0.07 1.72 -1.54 -2.21 0.00 0.00 174.62 172.54 1rgu n SER 514 N -0.38 0.40 -4.65 8.08 3.41 -0.81 -3.80 113.62 115.89 1rgu n SER 514 Ca -0.08 0.34 -0.43 0.00 -0.26 0.00 0.00 58.87 58.44 1rgu n SER 514 Cb 0.62 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 1rgu n SER 514 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rgu s ALA 515 N -3.05 3.54 0.94 7.33 0.00 -1.26 -4.96 121.76 124.30 1rgu s ALA 515 Ca 0.11 0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.24 1rgu s ALA 515 Cb 0.16 -3.68 0.15 0.00 0.00 0.00 0.00 23.12 19.75 1rgu s ALA 515 CO 0.60 -1.42 0.91 0.09 0.00 0.00 0.00 175.76 175.95 1rgu n ASN 516 N 7.00 0.22 -4.45 0.00 3.02 -1.26 -4.85 115.26 114.94 1rgu n ASN 516 Ca 0.14 -1.42 -0.43 0.00 -0.03 0.00 0.00 54.58 52.84 1rgu n ASN 516 Cb 0.46 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1rgu n ASN 516 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1rgu n LEU 517 N 0.00 5.25 -3.87 3.41 7.94 -1.01 -4.72 117.00 124.00 1rgu n LEU 517 Ca 0.12 -4.02 -0.11 0.00 -1.11 0.00 0.00 56.01 50.89 1rgu n LEU 517 Cb 0.41 -1.72 -0.09 0.00 0.53 0.00 0.00 43.42 42.55 1rgu n LEU 517 CO 0.30 0.36 -0.14 -0.94 -1.11 0.00 0.00 177.39 175.85 1rgu s SER 518 N 3.87 0.05 0.32 1.96 1.04 -1.26 0.12 113.70 119.81 1rgu s SER 518 Ca 0.52 -0.31 0.06 0.00 0.48 0.00 0.00 55.95 56.70 1rgu s SER 518 Cb 0.05 0.24 0.56 0.00 0.10 0.00 0.00 66.02 66.97 1rgu s SER 518 CO 0.05 -0.46 1.80 0.11 0.98 0.00 0.00 173.24 175.71 1rgu h LYS 519 N 3.86 0.36 -0.58 4.02 1.57 -1.87 -1.83 116.57 122.10 1rgu h LYS 519 Ca -0.31 -0.12 0.09 0.00 -1.87 0.00 0.00 60.65 58.43 1rgu h LYS 519 Cb 1.19 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.40 1rgu h LYS 519 CO 0.45 0.56 0.22 0.00 -0.57 0.00 0.00 179.45 180.11 1rgu h ALA 520 N 1.45 0.74 0.10 3.86 0.00 -1.91 0.31 119.26 123.82 1rgu h ALA 520 Ca 0.05 0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 1rgu h ALA 520 Cb 0.57 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.42 1rgu h ALA 520 CO 0.04 -0.19 -0.89 0.00 0.00 0.00 0.00 179.25 178.21 1rgu h ALA 521 N 1.39 -0.03 0.00 0.00 0.00 -1.84 -1.84 119.26 116.94 1rgu h ALA 521 Ca 0.29 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1rgu h ALA 521 Cb 0.34 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1rgu h ALA 521 CO -0.29 0.46 -1.48 0.91 0.00 0.00 0.00 179.25 178.85 1rgu n TRP 522 N -4.05 0.58 0.00 0.00 7.02 -0.70 -4.78 117.44 115.51 1rgu n TRP 522 Ca -0.13 0.17 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1rgu n TRP 522 Cb 0.83 -0.82 0.00 0.00 -2.42 0.00 0.00 31.31 28.91 1rgu n TRP 522 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rgu n GLY 523 N 1.27 1.62 3.10 6.99 0.00 0.11 -1.31 105.19 116.97 1rgu n GLY 523 Ca -0.04 -1.62 -0.23 0.00 0.00 0.00 0.00 46.02 44.13 1rgu n GLY 523 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgu s ALA 524 N -1.70 1.26 0.27 4.61 0.00 -0.12 -4.80 121.76 121.28 1rgu s ALA 524 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 1rgu s ALA 524 Cb 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 23.12 22.65 1rgu s ALA 524 CO 0.00 0.27 1.48 -0.51 0.00 0.00 0.00 175.76 176.99 1rgu s LEU 525 N -0.14 4.37 0.34 0.00 1.43 -1.26 -0.69 118.68 122.73 1rgu s LEU 525 Ca 0.02 2.76 0.04 0.00 -1.03 0.00 0.00 54.13 55.92 1rgu s LEU 525 Cb -0.08 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1rgu s LEU 525 CO 0.00 -0.76 0.16 -1.61 0.23 0.00 0.00 176.35 174.38 1rgu s GLU 526 N -0.57 1.72 -1.23 1.70 2.02 0.22 -4.79 118.70 117.77 1rgu s GLU 526 Ca 0.59 -2.01 -0.14 0.00 0.02 0.00 0.00 54.97 53.44 1rgu s GLU 526 Cb -0.44 -0.24 -0.00 0.00 0.10 0.00 0.00 34.13 33.55 1rgu s GLU 526 CO 0.46 -0.47 0.67 1.63 0.02 0.00 0.00 175.26 177.57 1rgu n LYS 527 N -0.69 -2.09 -3.90 1.61 5.02 -1.26 -2.13 118.16 114.71 1rgu n LYS 527 Ca -0.00 0.44 -0.26 0.00 -2.02 0.00 0.00 58.31 56.47 1rgu n LYS 527 Cb 0.65 -4.27 0.00 0.00 -0.02 0.00 0.00 35.03 31.39 1rgu n LYS 527 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1rgu n ASN 528 N -2.78 -1.50 0.00 4.39 4.05 -1.26 -2.82 115.26 115.34 1rgu n ASN 528 Ca -0.17 -0.92 0.00 0.00 0.45 0.00 0.00 54.58 53.93 1rgu n ASN 528 Cb 0.63 -3.43 0.00 0.00 1.23 0.00 0.00 39.78 38.20 1rgu n ASN 528 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1rgu n GLY 529 N -1.76 0.55 0.01 8.20 0.00 -0.94 -4.89 105.19 106.37 1rgu n GLY 529 Ca -0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.91 1rgu n GLY 529 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rgu n THR 530 N -2.89 0.02 -4.69 2.61 -2.24 -1.08 -4.91 114.28 101.11 1rgu n THR 530 Ca 0.00 -0.42 -0.25 0.00 -2.27 0.00 0.00 64.05 61.11 1rgu n THR 530 Cb 0.00 0.14 -0.16 0.00 -2.10 0.00 0.00 70.33 68.21 1rgu n THR 530 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1rgu s GLN 531 N -3.43 1.70 -0.24 -0.78 0.74 -0.91 -4.18 119.66 112.56 1rgu s GLN 531 Ca -0.05 -0.50 -0.08 0.00 0.05 0.00 0.00 55.36 54.78 1rgu s GLN 531 Cb 0.14 -1.44 -0.03 0.00 1.10 0.00 0.00 33.01 32.78 1rgu s GLN 531 CO 0.90 0.13 0.08 -1.17 -0.55 0.00 0.00 175.29 174.68 1rgu s LEU 532 N 0.34 3.55 -0.18 3.68 2.96 0.47 0.72 118.68 130.21 1rgu s LEU 532 Ca -0.09 -0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 53.60 1rgu s LEU 532 Cb -0.13 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1rgu s LEU 532 CO 0.03 -0.01 0.05 -0.32 -1.32 0.00 0.00 176.35 174.78 1rgu s MET 533 N 1.46 3.94 -0.01 1.98 -2.45 0.13 -0.31 119.30 124.04 1rgu s MET 533 Ca 0.06 -0.36 0.05 0.00 -1.25 0.00 0.00 55.69 54.18 1rgu s MET 533 Cb -0.15 -3.19 -0.01 0.00 1.25 0.00 0.00 34.83 32.73 1rgu s MET 533 CO 0.04 0.26 -0.15 0.42 1.05 0.00 0.00 175.02 176.64 1rgu s ILE 534 N 0.40 1.20 -0.13 10.11 1.01 -0.06 -0.95 121.20 132.79 1rgu s ILE 534 Ca 0.02 -0.65 0.19 0.00 0.00 0.00 0.00 60.65 60.22 1rgu s ILE 534 Cb -0.13 -1.00 -0.27 0.00 0.01 0.00 0.00 42.46 41.07 1rgu s ILE 534 CO 0.01 0.34 0.29 0.54 0.00 0.00 0.00 174.94 176.12 1rgu n ARG 535 N 2.71 0.67 -4.56 2.79 1.74 -0.72 -0.98 116.66 118.32 1rgu n ARG 535 Ca -0.14 -0.06 -0.26 0.00 -0.77 0.00 0.00 57.85 56.62 1rgu n ARG 535 Cb 0.55 -1.54 -0.11 0.00 -1.02 0.00 0.00 32.46 30.33 1rgu n ARG 535 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1rgu s SER 536 N -5.14 3.46 -0.18 0.55 0.01 -1.04 -4.03 113.70 107.32 1rgu s SER 536 Ca -0.09 -1.33 -0.14 0.00 1.31 0.00 0.00 55.95 55.71 1rgu s SER 536 Cb 0.09 -0.31 -0.05 0.00 0.21 0.00 0.00 66.02 65.97 1rgu s SER 536 CO 0.86 -0.44 0.29 -0.31 0.41 0.00 0.00 173.24 174.06 1rgu s TYR 537 N -2.84 3.42 0.07 2.43 1.51 -0.42 -2.56 117.35 118.96 1rgu s TYR 537 Ca 0.34 0.54 -0.01 0.00 -1.01 0.00 0.00 57.07 56.94 1rgu s TYR 537 Cb 0.08 -2.36 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 1rgu s TYR 537 CO 0.17 0.17 -0.01 -1.21 -1.11 0.00 0.00 175.55 173.56 1rgu s GLU 538 N 0.71 0.69 -0.23 -0.62 0.41 -0.85 -1.45 118.70 117.36 1rgu s GLU 538 Ca 0.16 -1.26 -0.18 0.00 -0.41 0.00 0.00 54.97 53.27 1rgu s GLU 538 Cb -0.13 0.22 0.06 0.00 -1.78 0.00 0.00 34.13 32.50 1rgu s GLU 538 CO 0.04 -0.15 0.60 -1.17 -0.49 0.00 0.00 175.26 174.10 1rgu s LEU 539 N -2.95 -0.44 0.36 1.80 2.96 -1.26 -0.32 118.68 118.83 1rgu s LEU 539 Ca 0.11 1.25 -0.09 0.00 -0.22 0.00 0.00 54.13 55.18 1rgu s LEU 539 Cb 0.08 2.06 0.03 0.00 0.50 0.00 0.00 46.19 48.86 1rgu s LEU 539 CO -0.07 -0.22 0.62 -0.83 -1.32 0.00 0.00 176.35 174.53 1rgu s GLY 540 N 0.78 0.96 -0.04 7.98 0.00 -0.49 -1.93 107.32 114.58 1rgu s GLY 540 Ca -0.04 -1.15 0.03 0.00 0.00 0.00 0.00 44.72 43.56 1rgu s GLY 540 CO -0.06 -0.68 -0.13 -1.34 0.00 0.00 0.00 173.10 170.89 1rgu s VAL 541 N -2.76 1.13 -0.21 1.40 -7.23 0.60 -1.68 120.40 111.66 1rgu s VAL 541 Ca 0.23 -0.53 -0.09 0.00 -1.81 0.00 0.00 61.98 59.79 1rgu s VAL 541 Cb -0.03 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 1rgu s VAL 541 CO 0.16 0.34 0.11 -0.22 -0.31 0.00 0.00 175.10 175.18 1rgu s LEU 542 N 0.27 3.94 -0.36 1.32 2.96 0.33 -2.37 118.68 124.77 1rgu s LEU 542 Ca -0.07 0.09 -0.14 0.00 -0.22 0.00 0.00 54.13 53.79 1rgu s LEU 542 Cb -0.12 -2.03 -0.00 0.00 0.50 0.00 0.00 46.19 44.54 1rgu s LEU 542 CO 0.02 0.12 0.31 -0.36 -1.32 0.00 0.00 176.35 175.12 1rgu s PHE 543 N 0.70 3.22 -0.15 5.38 0.40 -0.08 -1.55 117.98 125.91 1rgu s PHE 543 Ca 0.06 -0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.14 1rgu s PHE 543 Cb -0.13 -2.61 -0.01 0.00 0.51 0.00 0.00 43.02 40.79 1rgu s PHE 543 CO 0.02 -0.47 -0.13 -0.51 0.70 0.00 0.00 175.22 174.83 1rgu s LEU 544 N 1.85 2.62 0.35 -0.37 1.43 -1.26 -2.15 118.68 121.15 1rgu s LEU 544 Ca 0.08 -0.40 0.11 0.00 -1.03 0.00 0.00 54.13 52.90 1rgu s LEU 544 Cb -0.17 -1.60 0.91 0.00 0.03 0.00 0.00 46.19 45.36 1rgu s LEU 544 CO 0.11 0.12 1.78 -0.65 0.23 0.00 0.00 176.35 177.93 1rgu h PRO 545 N 7.07 0.57 -0.50 1.29 0.11 -1.82 -0.67 132.00 138.05 1rgu h PRO 545 Ca -0.30 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.86 1rgu h PRO 545 Cb 1.20 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1rgu h PRO 545 CO 0.56 0.38 0.34 0.66 -0.21 0.00 0.00 178.00 179.73 1rgu h SER 546 N 0.59 0.31 0.74 -2.05 4.64 -1.69 0.18 113.55 116.26 1rgu h SER 546 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1rgu h SER 546 Cb 1.15 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1rgu h SER 546 CO -0.35 0.20 0.00 0.00 -0.87 0.00 0.00 176.83 175.81 1rgu h ALA 547 N 1.74 1.00 -0.24 5.18 0.00 -1.41 0.66 119.26 126.18 1rgu h ALA 547 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1rgu h ALA 547 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1rgu h ALA 547 CO -0.05 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.48 1rgu n LEU 548 N -2.34 3.31 -0.79 0.00 4.77 -0.39 -4.97 117.00 116.59 1rgu n LEU 548 Ca 0.02 -2.64 -0.10 0.00 -0.03 0.00 0.00 56.01 53.25 1rgu n LEU 548 Cb 0.23 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 1rgu n LEU 548 CO 0.20 0.68 -0.10 0.61 -1.33 0.00 0.00 177.39 177.46 1rgu n GLY 549 N -0.28 1.15 3.97 -0.72 0.00 0.22 -5.02 105.19 104.51 1rgu n GLY 549 Ca 0.16 -0.40 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 1rgu n GLY 549 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rgu s LEU 550 N -2.35 3.55 -0.21 0.99 1.43 0.51 -4.94 118.68 117.66 1rgu s LEU 550 Ca 0.00 -0.55 0.15 0.00 -1.03 0.00 0.00 54.13 52.70 1rgu s LEU 550 Cb 0.00 -2.42 -0.23 0.00 0.03 0.00 0.00 46.19 43.57 1rgu s LEU 550 CO 0.00 -0.74 0.01 0.47 0.23 0.00 0.00 176.35 176.32 1rgu n ASP 551 N -1.76 0.42 -3.83 2.29 10.43 -1.26 -2.49 116.55 120.34 1rgu n ASP 551 Ca 0.07 -0.03 -0.09 0.00 2.57 0.00 0.00 54.79 57.31 1rgu n ASP 551 Cb 0.60 0.73 -0.05 0.00 1.84 0.00 0.00 41.12 44.25 1rgu n ASP 551 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1rgu s SER 552 N -5.66 -0.16 -0.06 -2.24 1.04 -1.26 -4.78 113.70 100.57 1rgu s SER 552 Ca -0.15 -0.64 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 1rgu s SER 552 Cb 0.06 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 1rgu s SER 552 CO 0.78 -1.04 0.01 -0.36 0.98 0.00 0.00 173.24 173.61 1rgu s PHE 553 N -3.92 3.15 0.28 5.02 2.99 -0.60 -4.92 117.98 119.98 1rgu s PHE 553 Ca 0.13 0.17 -0.28 0.00 0.00 0.00 0.00 56.93 56.95 1rgu s PHE 553 Cb -0.00 -1.76 -0.09 0.00 0.00 0.00 0.00 43.02 41.17 1rgu s PHE 553 CO -0.00 0.47 0.97 0.21 -0.00 0.00 0.00 175.22 176.88 1rgu s LYS 554 N -1.08 4.69 -0.07 0.44 2.20 -1.26 -0.86 119.74 123.79 1rgu s LYS 554 Ca 0.15 1.49 -0.30 0.00 -0.36 0.00 0.00 55.97 56.96 1rgu s LYS 554 Cb -0.11 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1rgu s LYS 554 CO 0.05 0.35 1.08 0.08 -0.36 0.00 0.00 175.35 176.55 1rgu s VAL 555 N -1.34 4.58 -0.13 4.02 1.01 -0.14 -0.36 120.40 128.04 1rgu s VAL 555 Ca 0.45 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 64.01 1rgu s VAL 555 Cb -0.24 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 1rgu s VAL 555 CO 0.31 0.02 1.31 -0.75 0.00 0.00 0.00 175.10 175.99 1rgu s LYS 556 N 1.95 4.24 0.24 2.72 2.20 -0.10 -4.85 119.74 126.14 1rgu s LYS 556 Ca 0.52 1.75 0.14 0.00 -0.36 0.00 0.00 55.97 58.01 1rgu s LYS 556 Cb -0.21 -3.76 0.01 0.00 -1.51 0.00 0.00 37.83 32.36 1rgu s LYS 556 CO 0.21 -0.69 1.37 -0.56 -0.36 0.00 0.00 175.35 175.32 1rgu h GLN 557 N 8.27 0.00 -4.41 4.03 -0.00 -1.94 -3.40 115.11 117.66 1rgu h GLN 557 Ca -0.30 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 57.74 1rgu h GLN 557 Cb 1.12 0.00 -0.38 0.00 -0.00 0.00 0.00 27.48 28.22 1rgu h GLN 557 CO 0.95 0.56 -0.79 -1.59 -0.00 0.00 0.00 178.83 177.97 1rgu s LYS 558 N -2.92 1.69 0.32 0.06 0.00 -1.26 -4.81 119.74 112.81 1rgu s LYS 558 Ca 0.03 -1.04 0.08 0.00 0.00 0.00 0.00 55.97 55.04 1rgu s LYS 558 Cb 0.08 -2.63 0.82 0.00 0.00 0.00 0.00 37.83 36.11 1rgu s LYS 558 CO 0.76 -0.60 1.76 0.35 0.00 0.00 0.00 175.35 177.62 1rgu h PHE 559 N 7.93 1.02 -2.48 1.78 3.57 -1.57 -3.50 116.94 123.68 1rgu h PHE 559 Ca -0.18 0.03 -0.74 0.00 3.53 0.00 0.00 57.97 60.61 1rgu h PHE 559 Cb 1.07 -0.30 -0.32 0.00 2.79 0.00 0.00 35.95 39.19 1rgu h PHE 559 CO 0.52 0.16 0.44 1.19 -2.23 0.00 0.00 178.31 178.39 1rgu n PHE 560 N -4.80 2.91 -1.43 0.41 3.72 -1.26 -4.99 117.46 112.04 1rgu n PHE 560 Ca 0.25 -3.03 0.00 0.00 -0.05 0.00 0.00 57.45 54.62 1rgu n PHE 560 Cb 0.66 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.19 1rgu n PHE 560 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1rgu n THR 569 N 0.53 -6.35 -2.81 4.37 -2.24 -1.26 -5.15 114.28 101.38 1rgu n THR 569 Ca 0.34 2.08 -0.42 0.00 -2.27 0.00 0.00 64.05 63.79 1rgu n THR 569 Cb 0.33 -3.35 -0.03 0.00 -2.10 0.00 0.00 70.33 65.18 1rgu n THR 569 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1rgu s PHE 570 N -1.27 3.53 -1.28 4.78 5.36 0.51 -4.66 117.98 124.96 1rgu s PHE 570 Ca 0.00 1.46 -0.19 0.00 -0.96 0.00 0.00 56.93 57.24 1rgu s PHE 570 Cb 0.00 -3.06 0.04 0.00 -0.34 0.00 0.00 43.02 39.66 1rgu s PHE 570 CO 0.00 -0.13 1.78 -0.35 -1.46 0.00 0.00 175.22 175.07 1rgu n PRO 571 N 4.61 2.88 -1.88 10.12 -0.04 -1.26 -0.93 135.00 148.50 1rgu n PRO 571 Ca 0.05 -3.11 -0.42 0.00 -0.04 0.00 0.00 63.50 59.98 1rgu n PRO 571 Cb 0.50 -3.54 -0.03 0.00 -0.04 0.00 0.00 33.50 30.39 1rgu n PRO 571 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1rgu s VAL 572 N 5.56 3.31 -0.78 0.52 1.01 -1.26 -4.91 120.40 123.85 1rgu s VAL 572 Ca 0.57 0.44 0.24 0.00 0.00 0.00 0.00 61.98 63.23 1rgu s VAL 572 Cb 0.03 -3.29 0.23 0.00 0.00 0.00 0.00 36.38 33.36 1rgu s VAL 572 CO 0.09 -0.03 1.73 -0.81 0.00 0.00 0.00 175.10 176.08 1rgu n PRO 573 N 7.04 0.13 -4.53 2.72 -0.04 -1.26 -4.73 135.00 134.33 1rgu n PRO 573 Ca 0.18 0.23 -0.25 0.00 -0.04 0.00 0.00 63.50 63.62 1rgu n PRO 573 Cb 0.42 -1.69 -0.10 0.00 -0.04 0.00 0.00 33.50 32.09 1rgu n PRO 573 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1rgu s TYR 574 N -3.11 2.08 0.49 0.54 1.13 -1.26 -4.28 117.35 112.94 1rgu s TYR 574 Ca 0.09 -0.92 -0.18 0.00 -1.41 0.00 0.00 57.07 54.65 1rgu s TYR 574 Cb 0.13 -1.43 -0.08 0.00 -1.10 0.00 0.00 41.96 39.47 1rgu s TYR 574 CO 0.46 0.11 0.99 -0.51 -2.51 0.00 0.00 175.55 174.09 1rgu s ASP 575 N -3.59 6.60 0.05 -0.18 -0.00 -0.35 -4.90 116.67 114.30 1rgu s ASP 575 Ca 0.32 1.68 0.04 0.00 -0.00 0.00 0.00 52.55 54.59 1rgu s ASP 575 Cb 0.08 -2.53 -0.02 0.00 -0.00 0.00 0.00 42.92 40.45 1rgu s ASP 575 CO 0.15 -0.60 -0.12 -0.76 -0.00 0.00 0.00 175.17 173.84 1rgu s LEU 576 N -3.77 2.21 0.73 1.23 1.43 -1.26 -4.18 118.68 115.07 1rgu s LEU 576 Ca 0.61 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1rgu s LEU 576 Cb -0.11 -0.44 0.03 0.00 0.03 0.00 0.00 46.19 45.69 1rgu s LEU 576 CO 0.25 -0.06 1.07 -2.16 0.23 0.00 0.00 176.35 175.69 1rgu s PRO 577 N -1.36 2.69 0.46 1.29 0.04 -1.26 -5.10 135.00 131.76 1rgu s PRO 577 Ca -0.02 0.76 -0.23 0.00 0.04 0.00 0.00 61.00 61.55 1rgu s PRO 577 Cb -0.09 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1rgu s PRO 577 CO 0.01 -1.23 1.14 -2.14 0.04 0.00 0.00 177.00 174.82 1rgu s PRO 578 N -5.14 3.79 -0.24 0.56 0.02 -1.26 -5.00 135.00 127.73 1rgu s PRO 578 Ca 0.59 1.70 -0.13 0.00 0.02 0.00 0.00 61.00 63.18 1rgu s PRO 578 Cb -0.13 -2.38 -0.04 0.00 0.02 0.00 0.00 34.50 31.96 1rgu s PRO 578 CO 0.54 -0.51 0.27 -2.00 -0.33 0.00 0.00 177.00 174.97 1rgu s GLU 579 N -2.74 4.08 0.60 5.54 2.12 -1.26 -4.98 118.70 122.05 1rgu s GLU 579 Ca 0.64 -0.09 -0.19 0.00 0.36 0.00 0.00 54.97 55.69 1rgu s GLU 579 Cb -0.27 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.52 1rgu s GLU 579 CO 0.32 -0.06 1.30 -1.17 -0.54 0.00 0.00 175.26 175.12 1rgu s LEU 580 N 1.39 3.68 0.62 2.70 2.96 -1.26 -0.06 118.68 128.71 1rgu s LEU 580 Ca 0.12 2.63 -0.18 0.00 -0.22 0.00 0.00 54.13 56.48 1rgu s LEU 580 Cb -0.15 -4.50 -0.05 0.00 0.50 0.00 0.00 46.19 42.00 1rgu s LEU 580 CO 0.07 -1.79 0.90 -1.22 -1.32 0.00 0.00 176.35 172.99 1rgu n TYR 581 N -1.56 0.58 -1.49 5.38 4.02 -1.08 -4.59 117.16 118.42 1rgu n TYR 581 Ca 0.14 0.43 -0.29 0.00 -0.01 0.00 0.00 57.90 58.16 1rgu n TYR 581 Cb 0.47 -2.10 0.16 0.00 -0.02 0.00 0.00 39.34 37.86 1rgu n TYR 581 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1rgu s GLY 582 N -1.30 1.61 0.44 2.72 0.00 -1.26 -4.91 107.32 104.61 1rgu s GLY 582 Ca 0.75 -0.69 0.12 0.00 0.00 0.00 0.00 44.72 44.91 1rgu s GLY 582 CO 0.48 -0.04 2.03 1.76 0.00 0.00 0.00 173.10 177.33 1rgu h SER 583 N -1.74 0.34 -0.26 1.64 0.02 -2.05 -2.49 113.55 109.02 1rgu h SER 583 Ca -0.49 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1rgu h SER 583 Cb 1.31 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1rgu h SER 583 CO 0.53 0.23 0.00 2.29 -1.14 0.00 0.00 176.83 178.74 1rgu n LYS 584 N -4.48 2.45 -2.66 3.45 0.00 -1.26 -4.97 118.16 110.70 1rgu n LYS 584 Ca 0.06 -2.17 -0.35 0.00 -0.00 0.00 0.00 58.31 55.85 1rgu n LYS 584 Cb 0.23 -1.50 -0.05 0.00 -0.00 0.00 0.00 35.03 33.71 1rgu n LYS 584 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1rgu s ASP 585 N -1.68 6.80 0.08 -5.58 1.01 -0.94 -5.07 116.67 111.28 1rgu s ASP 585 Ca 0.35 1.87 0.04 0.00 0.71 0.00 0.00 52.55 55.52 1rgu s ASP 585 Cb 0.22 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 1rgu s ASP 585 CO 0.31 -0.46 -0.11 -0.13 0.21 0.00 0.00 175.17 174.99 1rgu s ARG 586 N -2.82 0.78 0.35 8.23 0.52 -1.26 -4.83 118.95 119.91 1rgu s ARG 586 Ca 0.60 -1.01 -0.28 0.00 -0.52 0.00 0.00 55.73 54.52 1rgu s ARG 586 Cb -0.16 -0.60 -0.10 0.00 0.52 0.00 0.00 34.95 34.61 1rgu s ARG 586 CO 0.21 0.11 1.31 -1.25 0.02 0.00 0.00 175.30 175.70 1rgu s PRO 587 N -2.18 4.28 0.08 3.54 0.04 -1.26 -0.56 135.00 138.95 1rgu s PRO 587 Ca -0.00 2.21 -0.32 0.00 0.04 0.00 0.00 61.00 62.93 1rgu s PRO 587 Cb -0.07 -3.01 -0.11 0.00 0.04 0.00 0.00 34.50 31.34 1rgu s PRO 587 CO 0.01 -0.25 1.81 1.87 0.04 0.00 0.00 177.00 180.48 1rgu n TRP 588 N 0.67 2.50 -4.10 0.56 -0.00 -0.29 -4.47 117.44 112.31 1rgu n TRP 588 Ca 0.01 -0.06 -0.29 0.00 -0.00 0.00 0.00 57.50 57.16 1rgu n TRP 588 Cb 0.42 -2.69 -0.17 0.00 -0.00 0.00 0.00 31.31 28.87 1rgu n TRP 588 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1rgu s ILE 589 N 2.77 1.39 -0.38 5.87 1.01 -1.26 -4.58 121.20 126.01 1rgu s ILE 589 Ca 0.84 -0.54 0.22 0.00 0.00 0.00 0.00 60.65 61.17 1rgu s ILE 589 Cb -0.56 -1.32 0.28 0.00 0.01 0.00 0.00 42.46 40.87 1rgu s ILE 589 CO 0.40 0.43 1.54 4.11 0.00 0.00 0.00 174.94 181.43 1rgu h TRP 590 N 7.91 0.00 -0.43 3.97 5.08 -1.17 -3.30 115.95 128.02 1rgu h TRP 590 Ca -0.34 0.00 -0.24 0.00 1.08 0.00 0.00 58.89 59.38 1rgu h TRP 590 Cb 1.14 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 27.16 1rgu h TRP 590 CO 0.47 0.08 -0.10 0.27 -1.28 0.00 0.00 178.44 177.88 1rgu n ASN 591 N -3.09 2.92 -4.37 0.11 6.94 -1.26 -4.83 115.26 111.68 1rgu n ASN 591 Ca 0.03 -3.80 -0.19 0.00 -0.02 0.00 0.00 54.58 50.60 1rgu n ASN 591 Cb 0.56 -0.63 -0.10 0.00 -2.36 0.00 0.00 39.78 37.25 1rgu n ASN 591 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1rgu s ILE 592 N -3.45 1.87 0.45 1.53 -4.36 -1.25 -4.85 121.20 111.13 1rgu s ILE 592 Ca 0.46 -2.25 -0.19 0.00 -0.26 0.00 0.00 60.65 58.41 1rgu s ILE 592 Cb 0.41 -2.09 -0.10 0.00 1.25 0.00 0.00 42.46 41.93 1rgu s ILE 592 CO -0.00 -0.56 0.95 -2.16 0.24 0.00 0.00 174.94 173.41 1rgu s PRO 593 N -3.62 4.14 -0.17 0.37 0.05 -1.26 -4.68 135.00 129.83 1rgu s PRO 593 Ca 0.24 1.05 -0.01 0.00 0.05 0.00 0.00 61.00 62.33 1rgu s PRO 593 Cb -0.01 -2.18 0.04 0.00 0.05 0.00 0.00 34.50 32.40 1rgu s PRO 593 CO 0.08 -0.09 -0.03 0.71 0.05 0.00 0.00 177.00 177.72 1rgu s TYR 594 N -2.30 1.56 0.00 0.56 2.02 -0.17 -4.99 117.35 114.03 1rgu s TYR 594 Ca 0.61 -1.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 1rgu s TYR 594 Cb -0.09 -1.25 0.00 0.00 -0.40 0.00 0.00 41.96 40.22 1rgu s TYR 594 CO 0.19 -0.60 0.47 1.33 -1.57 0.00 0.00 175.55 175.36 1rgu n VAL 595 N 4.91 0.22 0.08 0.71 0.24 -1.26 -1.09 118.33 122.14 1rgu n VAL 595 Ca -0.11 -0.32 -0.05 0.00 -2.04 0.00 0.00 64.34 61.82 1rgu n VAL 595 Cb 0.48 1.17 -0.05 0.00 -1.47 0.00 0.00 33.84 33.96 1rgu n VAL 595 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1rgu h LYS 596 N 0.00 0.00 -2.69 7.34 1.79 -1.99 -3.46 116.57 117.56 1rgu h LYS 596 Ca 0.00 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 1rgu h LYS 596 Cb 0.55 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 30.98 1rgu h LYS 596 CO 0.00 0.90 -0.18 0.00 -1.08 0.00 0.00 179.45 179.09 1rgu s ALA 597 N -2.90 -1.08 0.47 3.86 0.00 -1.26 -5.17 121.76 115.68 1rgu s ALA 597 Ca 0.01 1.03 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 1rgu s ALA 597 Cb 0.10 -0.46 -0.07 0.00 0.00 0.00 0.00 23.12 22.70 1rgu s ALA 597 CO 0.80 -0.24 0.89 -1.25 0.00 0.00 0.00 175.76 175.97 1rgu s PRO 598 N -0.29 3.86 0.56 0.00 0.04 -1.26 -4.81 135.00 133.10 1rgu s PRO 598 Ca -0.04 0.74 -0.06 0.00 0.04 0.00 0.00 61.00 61.67 1rgu s PRO 598 Cb -0.03 -2.24 0.12 0.00 0.04 0.00 0.00 34.50 32.38 1rgu s PRO 598 CO 0.02 -0.18 0.76 -0.40 0.04 0.00 0.00 177.00 177.25 1rgu n ASP 599 N -1.51 0.44 0.09 6.66 3.85 0.98 -4.87 116.55 122.20 1rgu n ASP 599 Ca 0.05 -1.51 0.09 0.00 -0.71 0.00 0.00 54.79 52.71 1rgu n ASP 599 Cb 0.54 -0.55 0.41 0.00 -1.35 0.00 0.00 41.12 40.17 1rgu n ASP 599 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1rgu n THR 600 N -2.80 1.06 0.73 2.12 -2.24 -1.07 -1.26 114.28 110.82 1rgu n THR 600 Ca 0.11 0.38 0.11 0.00 -2.27 0.00 0.00 64.05 62.38 1rgu n THR 600 Cb 0.38 -1.30 0.12 0.00 -2.10 0.00 0.00 70.33 67.43 1rgu n THR 600 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1rgu n HIS 601 N -1.98 0.13 -0.39 4.78 8.25 -1.26 -4.96 115.22 119.78 1rgu n HIS 601 Ca 0.01 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1rgu n HIS 601 Cb 0.14 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1rgu n HIS 601 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rgu n GLY 602 N 1.25 0.80 3.85 -1.41 0.00 -0.39 -5.08 105.19 104.21 1rgu n GLY 602 Ca 0.14 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1rgu n GLY 602 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rgu s ASN 603 N -2.01 5.49 0.55 1.61 0.01 -1.26 -4.75 114.94 114.59 1rgu s ASN 603 Ca 0.00 -0.32 0.06 0.00 -0.71 0.00 0.00 52.86 51.88 1rgu s ASN 603 Cb 0.00 -1.26 0.05 0.00 0.41 0.00 0.00 41.25 40.45 1rgu s ASN 603 CO 0.00 -0.18 0.45 -0.04 -1.51 0.00 0.00 177.10 175.82 1rgu s MET 604 N -3.92 2.26 -0.19 -0.60 -1.94 -1.26 -0.01 119.30 113.63 1rgu s MET 604 Ca 0.37 -1.99 0.00 0.00 -1.71 0.00 0.00 55.69 52.36 1rgu s MET 604 Cb -0.07 -2.16 0.04 0.00 2.01 0.00 0.00 34.83 34.66 1rgu s MET 604 CO 0.26 -0.66 -0.07 -0.46 -0.01 0.00 0.00 175.02 174.08 1rgu s TRP 605 N -2.77 2.11 -0.43 -0.03 -0.11 -0.25 -4.98 118.94 112.49 1rgu s TRP 605 Ca 0.37 -1.40 0.02 0.00 1.22 0.00 0.00 56.10 56.30 1rgu s TRP 605 Cb -0.03 -1.49 0.14 0.00 -1.50 0.00 0.00 33.47 30.59 1rgu s TRP 605 CO 0.23 -0.70 0.25 0.08 -4.62 0.00 0.00 176.95 172.19 1rgu s VAL 606 N 1.50 1.11 -2.06 5.86 1.01 -1.26 -0.99 120.40 125.56 1rgu s VAL 606 Ca -0.01 -2.43 0.32 0.00 0.00 0.00 0.00 61.98 59.85 1rgu s VAL 606 Cb -0.16 -1.78 0.87 0.00 0.00 0.00 0.00 36.38 35.31 1rgu s VAL 606 CO -0.08 -0.94 2.17 -0.81 0.00 0.00 0.00 175.10 175.45