#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgu n PRO 163 N 0.00 0.15 0.02 1.20 -0.04 -1.26 -4.13 135.00 130.94 1rgu n PRO 163 Ca 0.00 0.07 -0.22 0.00 -0.04 0.00 0.00 63.50 63.31 1rgu n PRO 163 Cb 0.00 -1.62 -0.14 0.00 -0.04 0.00 0.00 33.50 31.70 1rgu n PRO 163 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1rgu h PHE 164 N 0.00 0.54 -5.15 0.54 0.04 -1.99 -3.48 116.94 107.44 1rgu h PHE 164 Ca 0.00 -0.39 -0.41 0.00 2.80 0.00 0.00 57.97 59.97 1rgu h PHE 164 Cb 0.63 -0.02 0.02 0.00 2.20 0.00 0.00 35.95 38.77 1rgu h PHE 164 CO 0.00 1.72 -0.62 1.04 -0.60 0.00 0.00 178.31 179.85 1rgu n GLN 165 N -3.60 -4.90 -3.79 1.51 1.13 -1.26 -4.82 117.38 101.64 1rgu n GLN 165 Ca -0.29 0.74 -0.36 0.00 -1.94 0.00 0.00 57.00 55.15 1rgu n GLN 165 Cb 1.03 -5.58 -0.10 0.00 0.11 0.00 0.00 30.24 25.70 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 -3.14 3.26 0.13 1.08 2.19 -1.26 -1.74 117.98 118.50 1rgu s PHE 166 Ca 0.41 0.08 0.06 0.00 0.33 0.00 0.00 56.93 57.81 1rgu s PHE 166 Cb -0.20 -2.20 -0.04 0.00 -1.31 0.00 0.00 43.02 39.28 1rgu s PHE 166 CO 0.51 0.03 -0.14 0.71 1.83 0.00 0.00 175.22 178.16 1rgu s TYR 167 N 0.91 1.43 0.19 10.12 1.51 0.80 -4.97 117.35 127.34 1rgu s TYR 167 Ca 0.06 -0.55 -0.03 0.00 -1.01 0.00 0.00 57.07 55.54 1rgu s TYR 167 Cb -0.13 -0.75 -0.05 0.00 -0.11 0.00 0.00 41.96 40.92 1rgu s TYR 167 CO 0.03 0.16 0.41 -0.51 -1.11 0.00 0.00 175.55 174.53 1rgu s LEU 168 N -2.48 4.22 0.56 -1.29 1.43 -1.26 0.23 118.68 120.09 1rgu s LEU 168 Ca 0.10 0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 53.55 1rgu s LEU 168 Cb -0.05 -3.29 -0.05 0.00 0.03 0.00 0.00 46.19 42.83 1rgu s LEU 168 CO 0.03 -0.02 1.08 0.42 0.23 0.00 0.00 176.35 178.08 1rgu s THR 169 N -1.81 3.57 0.33 5.49 -4.23 -0.87 -0.82 115.64 117.30 1rgu s THR 169 Ca 0.40 0.87 -0.29 0.00 -1.18 0.00 0.00 61.69 61.49 1rgu s THR 169 Cb -0.11 -3.34 -0.11 0.00 1.34 0.00 0.00 72.50 70.27 1rgu s THR 169 CO 0.27 -0.32 1.54 -1.14 -0.54 0.00 0.00 174.62 174.43 1rgu n ARG 170 N -1.58 2.67 -4.34 3.99 0.63 -0.11 -4.61 116.66 113.30 1rgu n ARG 170 Ca 0.10 0.94 -0.34 0.00 -0.92 0.00 0.00 57.85 57.63 1rgu n ARG 170 Cb 0.52 -2.70 -0.15 0.00 0.45 0.00 0.00 32.46 30.59 1rgu n ARG 170 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1rgu s VAL 171 N -0.54 2.91 0.23 5.15 1.01 -1.26 -4.59 120.40 123.31 1rgu s VAL 171 Ca 0.59 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 1rgu s VAL 171 Cb -0.49 -2.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.54 1rgu s VAL 171 CO 0.56 0.49 1.08 -0.44 0.00 0.00 0.00 175.10 176.79 1rgu s SER 172 N 0.96 7.31 0.00 3.32 0.01 -0.19 -3.80 113.70 121.32 1rgu s SER 172 Ca -0.02 2.16 0.00 0.00 1.31 0.00 0.00 55.95 59.40 1rgu s SER 172 Cb -0.15 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1rgu s SER 172 CO -0.01 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1rgu n GLY 173 N 1.57 0.77 3.74 3.44 0.00 -1.26 -4.80 105.19 108.65 1rgu n GLY 173 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1rgu n GLY 173 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rgu s VAL 174 N -2.27 3.78 0.30 1.61 -7.23 -1.25 -5.08 120.40 110.25 1rgu s VAL 174 Ca 0.00 -1.65 -0.29 0.00 -1.81 0.00 0.00 61.98 58.23 1rgu s VAL 174 Cb 0.00 -3.10 -0.13 0.00 0.56 0.00 0.00 36.38 33.71 1rgu s VAL 174 CO 0.00 -0.32 1.16 0.29 -0.31 0.00 0.00 175.10 175.91 1rgu n LYS 175 N -1.07 1.69 0.16 4.82 5.02 -1.26 -4.82 118.16 122.70 1rgu n LYS 175 Ca -0.06 0.59 0.18 0.00 -2.02 0.00 0.00 58.31 57.00 1rgu n LYS 175 Cb 0.59 -2.07 0.79 0.00 -0.02 0.00 0.00 35.03 34.32 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 2.48 0.00 0.00 1.97 0.11 -1.98 0.08 132.00 134.66 1rgu h PRO 176 Ca -0.43 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1rgu h PRO 176 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 1rgu h PRO 176 CO 0.63 0.00 -0.09 1.57 -0.21 0.00 0.00 178.00 179.90 1rgu h LYS 177 N 0.00 0.00 -0.00 1.05 2.10 -2.01 -0.85 116.57 116.86 1rgu h LYS 177 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1rgu h LYS 177 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1rgu h LYS 177 CO -0.00 0.09 -0.08 0.66 -2.00 0.00 0.00 179.45 178.13 1rgu n TYR 178 N -4.02 0.00 0.36 0.07 4.01 0.01 -3.06 117.16 114.54 1rgu n TYR 178 Ca -0.02 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.80 1rgu n TYR 178 Cb 0.18 -0.38 0.13 0.00 -0.31 0.00 0.00 39.34 38.95 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 -1.39 2.77 -0.13 7.72 3.02 -0.35 -4.75 115.26 122.15 1rgu n ASN 179 Ca 0.09 -1.81 -0.08 0.00 -0.03 0.00 0.00 54.58 52.75 1rgu n ASN 179 Cb 0.31 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 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 3.24 0.45 -0.33 6.41 4.64 -1.41 -1.06 113.55 125.50 1rgu h SER 180 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1rgu h SER 180 Cb 0.76 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1rgu h SER 180 CO 0.00 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 1rgu n GLY 181 N -1.20 0.72 3.91 -0.77 0.00 -1.26 -4.99 105.19 101.60 1rgu n GLY 181 Ca 0.01 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.56 3.65 -0.01 4.61 0.00 -0.40 -4.62 121.76 123.43 1rgu s ALA 182 Ca 0.28 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.70 1rgu s ALA 182 Cb 0.15 -2.25 -0.02 0.00 0.00 0.00 0.00 23.12 20.99 1rgu s ALA 182 CO 0.21 0.22 -0.25 -0.51 0.00 0.00 0.00 175.76 175.42 1rgu s LEU 183 N -3.65 2.07 0.16 0.00 1.43 -0.00 -4.66 118.68 114.03 1rgu s LEU 183 Ca 0.43 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1rgu s LEU 183 Cb -0.11 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1rgu s LEU 183 CO 0.31 0.30 0.21 -2.28 0.23 0.00 0.00 176.35 175.12 1rgu s HIS 184 N -0.64 3.32 0.39 0.29 5.65 -1.26 -0.94 115.29 122.10 1rgu s HIS 184 Ca 0.10 0.05 0.14 0.00 0.25 0.00 0.00 55.06 55.59 1rgu s HIS 184 Cb -0.10 -1.59 0.97 0.00 -1.18 0.00 0.00 32.58 30.68 1rgu s HIS 184 CO -0.00 0.52 1.87 0.97 -0.65 0.00 0.00 174.74 177.44 1rgu h ILE 185 N 1.81 0.75 -0.80 0.89 2.10 -1.96 0.35 117.51 120.65 1rgu h ILE 185 Ca -0.48 -0.18 0.02 0.00 1.08 0.00 0.00 64.86 65.30 1rgu h ILE 185 Cb 1.20 0.18 -0.04 0.00 -1.09 0.00 0.00 36.82 37.07 1rgu h ILE 185 CO 0.66 0.10 0.53 0.11 -1.08 0.00 0.00 178.15 178.46 1rgu h LYS 186 N 0.52 1.01 -0.54 2.19 1.57 -1.96 -1.94 116.57 117.43 1rgu h LYS 186 Ca 0.45 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 59.12 1rgu h LYS 186 Cb 0.95 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1rgu h LYS 186 CO -0.19 0.67 0.15 -0.44 -0.57 0.00 0.00 179.45 179.06 1rgu h ASP 187 N 1.04 0.81 -0.23 0.86 3.32 -1.29 -2.50 116.42 118.44 1rgu h ASP 187 Ca 0.30 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1rgu h ASP 187 Cb -0.05 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1rgu h ASP 187 CO -0.08 0.82 0.08 0.40 -1.72 0.00 0.00 179.24 178.75 1rgu h ILE 188 N 0.76 1.14 -0.05 0.35 2.04 -0.99 -2.75 117.51 118.00 1rgu h ILE 188 Ca 0.17 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1rgu h ILE 188 Cb 0.32 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1rgu h ILE 188 CO -0.00 0.17 0.00 0.18 0.00 0.00 0.00 178.15 178.50 1rgu n LEU 189 N -4.38 2.77 -4.71 1.44 4.77 -0.79 -4.81 117.00 111.29 1rgu n LEU 189 Ca 0.01 -0.95 -0.34 0.00 -0.03 0.00 0.00 56.01 54.71 1rgu n LEU 189 Cb 0.16 -0.02 0.10 0.00 -2.33 0.00 0.00 43.42 41.34 1rgu n LEU 189 CO 0.37 0.47 0.79 -0.55 -1.33 0.00 0.00 177.39 177.14 1rgu s SER 190 N -1.96 3.99 0.46 -1.43 0.15 -0.95 -4.52 113.70 109.45 1rgu s SER 190 Ca 0.30 2.36 0.31 0.00 0.70 0.00 0.00 55.95 59.63 1rgu s SER 190 Cb 0.20 -2.59 1.42 0.00 -1.71 0.00 0.00 66.02 63.35 1rgu s SER 190 CO 0.31 -2.40 1.94 -0.65 1.20 0.00 0.00 173.24 173.63 1rgu h PRO 191 N -0.51 0.00 0.00 5.44 0.11 -1.90 -0.87 132.00 134.27 1rgu h PRO 191 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1rgu h PRO 191 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1rgu h PRO 191 CO 0.48 0.00 -0.09 -0.07 -0.21 0.00 0.00 178.00 178.12 1rgu h LEU 192 N 0.00 0.00 -0.00 2.35 3.38 -1.91 -2.77 115.31 116.35 1rgu h LEU 192 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rgu h LEU 192 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1rgu h LEU 192 CO 0.00 0.09 -0.38 0.49 0.09 0.00 0.00 178.44 178.73 1rgu n PHE 193 N -3.37 0.00 0.00 1.13 3.01 -0.33 -5.00 117.46 112.90 1rgu n PHE 193 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1rgu n PHE 193 Cb 0.27 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 1rgu n PHE 193 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rgu n GLY 194 N 1.50 4.11 3.50 1.37 0.00 -1.05 -5.04 105.19 109.59 1rgu n GLY 194 Ca 0.06 -1.17 -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 4.50 0.25 2.61 2.01 -1.26 -4.45 115.64 117.29 1rgu s THR 195 Ca 0.00 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 1rgu s THR 195 Cb 0.00 -4.49 -0.09 0.00 0.01 0.00 0.00 72.50 67.93 1rgu s THR 195 CO 0.00 -1.05 1.05 -0.22 -0.69 0.00 0.00 174.62 173.70 1rgu s LEU 196 N 3.65 4.57 0.00 4.42 2.96 -1.26 -1.16 118.68 131.86 1rgu s LEU 196 Ca 0.27 2.13 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 1rgu s LEU 196 Cb -0.14 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1rgu s LEU 196 CO 0.17 -0.06 0.00 0.52 -1.32 0.00 0.00 176.35 175.67 1rgu n VAL 197 N 1.50 0.00 -3.49 1.68 0.31 0.25 -4.87 118.33 113.71 1rgu n VAL 197 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 1rgu n VAL 197 Cb 0.46 -0.55 -0.03 0.00 -0.91 0.00 0.00 33.84 32.80 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 -3.86 -0.52 0.03 4.52 0.15 -1.04 -4.16 113.70 108.81 1rgu s SER 198 Ca 0.00 0.25 -0.16 0.00 0.70 0.00 0.00 55.95 56.74 1rgu s SER 198 Cb 0.00 0.50 0.03 0.00 -1.71 0.00 0.00 66.02 64.84 1rgu s SER 198 CO 0.00 -0.71 0.36 -0.94 1.20 0.00 0.00 173.24 173.14 1rgu s SER 199 N -2.06 -0.21 -0.06 5.45 1.04 -0.76 -1.19 113.70 115.91 1rgu s SER 199 Ca -0.02 -0.03 0.05 0.00 0.48 0.00 0.00 55.95 56.44 1rgu s SER 199 Cb -0.01 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 1rgu s SER 199 CO -0.04 -0.59 -0.23 0.00 0.98 0.00 0.00 173.24 173.36 1rgu s ALA 200 N -2.19 1.99 -0.30 5.32 0.00 0.22 -0.80 121.76 126.00 1rgu s ALA 200 Ca -0.07 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1rgu s ALA 200 Cb -0.02 -0.64 0.08 0.00 0.00 0.00 0.00 23.12 22.54 1rgu s ALA 200 CO -0.01 0.36 -0.02 -0.65 0.00 0.00 0.00 175.76 175.45 1rgu s GLN 201 N -0.04 1.74 -0.07 0.00 -1.52 0.19 -1.05 119.66 118.91 1rgu s GLN 201 Ca -0.06 -1.58 -0.19 0.00 -1.95 0.00 0.00 55.36 51.59 1rgu s GLN 201 Cb -0.14 -2.99 -0.05 0.00 -0.22 0.00 0.00 33.01 29.62 1rgu s GLN 201 CO 0.04 -0.78 0.52 -0.06 -0.25 0.00 0.00 175.29 174.76 1rgu s PHE 202 N 1.04 3.59 0.09 0.91 0.40 0.45 -0.72 117.98 123.74 1rgu s PHE 202 Ca 0.02 1.01 -0.12 0.00 -0.60 0.00 0.00 56.93 57.25 1rgu s PHE 202 Cb -0.19 -2.55 0.04 0.00 0.51 0.00 0.00 43.02 40.83 1rgu s PHE 202 CO -0.08 0.27 0.57 -1.71 0.70 0.00 0.00 175.22 174.97 1rgu n ASN 203 N 3.19 -0.90 -0.04 1.36 2.85 -0.66 -2.07 115.26 119.00 1rgu n ASN 203 Ca -0.07 -1.45 -0.04 0.00 -0.11 0.00 0.00 54.58 52.91 1rgu n ASN 203 Cb 0.51 1.46 -0.01 0.00 1.24 0.00 0.00 39.78 42.98 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 -0.40 0.00 -4.41 1.20 9.36 -1.24 -4.37 117.16 117.31 1rgu n TYR 204 Ca -0.01 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.87 1rgu n TYR 204 Cb 0.31 -0.23 -0.10 0.00 -0.63 0.00 0.00 39.34 38.69 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 -0.72 1.49 -0.37 0.00 0.40 -1.26 -1.80 117.98 115.73 1rgu s PHE 206 Ca 0.11 -0.31 0.01 0.00 -0.60 0.00 0.00 56.93 56.14 1rgu s PHE 206 Cb -0.12 -0.97 0.10 0.00 0.51 0.00 0.00 43.02 42.54 1rgu s PHE 206 CO 0.02 -0.05 0.11 0.34 0.70 0.00 0.00 175.22 176.34 1rgu s ASP 207 N -0.29 4.96 0.16 1.36 -1.08 0.83 -4.94 116.67 117.67 1rgu s ASP 207 Ca 0.04 -2.09 -0.14 0.00 -0.52 0.00 0.00 52.55 49.84 1rgu s ASP 207 Cb -0.07 -1.71 0.04 0.00 -1.46 0.00 0.00 42.92 39.72 1rgu s ASP 207 CO -0.00 -0.44 1.72 0.58 0.52 0.00 0.00 175.17 177.55 1rgu h VAL 208 N 6.51 1.20 -0.23 1.11 2.07 -1.91 0.43 116.25 125.44 1rgu h VAL 208 Ca -0.08 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1rgu h VAL 208 Cb 1.03 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1rgu h VAL 208 CO 0.59 0.24 0.14 0.44 0.02 0.00 0.00 177.57 179.00 1rgu h ASP 209 N 0.68 0.27 -0.70 0.57 3.45 -1.95 -1.41 116.42 117.33 1rgu h ASP 209 Ca 0.17 -0.04 0.01 0.00 0.43 0.00 0.00 57.03 57.60 1rgu h ASP 209 Cb 0.16 -0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 38.82 1rgu h ASP 209 CO -0.02 0.23 0.46 -0.25 -1.57 0.00 0.00 179.24 178.10 1rgu h TRP 210 N 0.29 0.88 -0.37 4.55 7.01 -1.87 -2.93 115.95 123.51 1rgu h TRP 210 Ca 0.08 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 1rgu h TRP 210 Cb 0.01 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 26.75 1rgu h TRP 210 CO -0.05 0.55 0.22 1.25 -2.79 0.00 0.00 178.44 177.62 1rgu h LEU 211 N 0.94 0.44 -1.26 0.65 5.85 -0.14 -2.26 115.31 119.54 1rgu h LEU 211 Ca 0.26 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 1rgu h LEU 211 Cb -0.10 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1rgu h LEU 211 CO -0.06 0.36 -0.04 0.58 -0.34 0.00 0.00 178.44 178.95 1rgu h VAL 212 N 0.49 1.19 0.00 1.05 2.07 -1.25 -1.20 116.25 118.60 1rgu h VAL 212 Ca 0.13 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1rgu h VAL 212 Cb -0.00 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1rgu h VAL 212 CO -0.03 0.27 0.00 0.11 0.02 0.00 0.00 177.57 177.94 1rgu h LYS 213 N 0.44 0.00 0.00 1.57 6.56 -1.23 -2.71 116.57 121.20 1rgu h LYS 213 Ca 0.09 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.60 1rgu h LYS 213 Cb 0.35 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.00 1rgu h LYS 213 CO 0.01 0.00 -0.38 1.96 -2.06 0.00 0.00 179.45 178.99 1rgu h GLN 214 N 0.00 0.00 -6.89 3.15 1.08 -0.91 -3.44 115.11 108.11 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 0.41 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.87 1rgu h GLN 214 CO 0.00 0.38 0.47 0.71 -0.95 0.00 0.00 178.83 179.44 1rgu s TYR 215 N -3.24 3.32 0.56 2.96 1.51 -1.02 -4.38 117.35 117.06 1rgu s TYR 215 Ca 0.03 1.63 -0.20 0.00 -1.01 0.00 0.00 57.07 57.52 1rgu s TYR 215 Cb 0.08 -3.29 -0.05 0.00 -0.11 0.00 0.00 41.96 38.59 1rgu s TYR 215 CO 0.70 -0.86 1.19 -2.14 -1.11 0.00 0.00 175.55 173.33 1rgu s PRO 216 N -2.00 3.18 0.36 -1.71 0.02 -1.26 -4.75 135.00 128.84 1rgu s PRO 216 Ca 0.52 1.78 0.10 0.00 0.02 0.00 0.00 61.00 63.42 1rgu s PRO 216 Cb -0.29 -2.02 0.87 0.00 0.02 0.00 0.00 34.50 33.08 1rgu s PRO 216 CO 0.37 -1.03 1.84 -1.35 -0.33 0.00 0.00 177.00 176.50 1rgu h PRO 217 N 1.13 0.62 0.00 5.54 0.11 -1.93 0.19 132.00 137.66 1rgu h PRO 217 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1rgu h PRO 217 Cb 1.28 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1rgu h PRO 217 CO 0.56 0.41 0.00 1.05 -0.21 0.00 0.00 178.00 179.81 1rgu h GLU 218 N 0.64 0.00 -0.01 1.05 9.09 -2.02 -2.99 114.58 120.34 1rgu h GLU 218 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 1rgu h GLU 218 Cb 0.89 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.99 1rgu h GLU 218 CO -0.24 0.00 -0.13 1.19 0.05 0.00 0.00 179.01 179.88 1rgu n PHE 219 N -2.92 0.00 0.19 2.06 3.72 0.59 -4.65 117.46 116.45 1rgu n PHE 219 Ca -0.01 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.49 1rgu n PHE 219 Cb 0.16 0.00 0.54 0.00 -0.94 0.00 0.00 39.48 39.24 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 -0.25 0.14 0.00 -1.08 1.74 -0.75 -1.91 116.66 114.54 1rgu n ARG 220 Ca 0.03 0.60 0.08 0.00 -0.77 0.00 0.00 57.85 57.79 1rgu n ARG 220 Cb 0.15 -1.92 0.02 0.00 -1.02 0.00 0.00 32.46 29.70 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 -2.20 1.55 -2.15 5.56 4.76 -1.26 -4.97 118.16 119.45 1rgu n LYS 221 Ca -0.01 -1.04 -0.34 0.00 -2.87 0.00 0.00 58.31 54.05 1rgu n LYS 221 Cb 0.06 -1.27 0.01 0.00 -1.84 0.00 0.00 35.03 31.98 1rgu n LYS 221 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1rgu s LYS 222 N -1.65 3.28 0.45 1.97 -0.14 -0.80 -4.78 119.74 118.07 1rgu s LYS 222 Ca 0.15 1.46 -0.25 0.00 -1.36 0.00 0.00 55.97 55.97 1rgu s LYS 222 Cb 0.13 -2.01 -0.08 0.00 -1.68 0.00 0.00 37.83 34.19 1rgu s LYS 222 CO 0.32 -0.88 1.37 -2.14 -0.76 0.00 0.00 175.35 173.25 1rgu s PRO 223 N -3.59 3.69 -0.05 -1.68 0.02 -1.26 -4.86 135.00 127.26 1rgu s PRO 223 Ca 0.69 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.99 1rgu s PRO 223 Cb -0.21 -2.61 0.02 0.00 0.02 0.00 0.00 34.50 31.73 1rgu s PRO 223 CO 0.31 -0.76 -0.02 0.42 -0.33 0.00 0.00 177.00 176.61 1rgu s ILE 224 N -1.25 0.45 -0.25 2.83 1.01 -0.18 -1.83 121.20 121.98 1rgu s ILE 224 Ca 0.61 -0.02 -0.10 0.00 0.00 0.00 0.00 60.65 61.15 1rgu s ILE 224 Cb -0.41 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.49 1rgu s ILE 224 CO 0.52 0.23 0.15 -0.22 0.00 0.00 0.00 174.94 175.62 1rgu s LEU 225 N 1.31 4.00 -0.31 2.97 2.96 0.02 -0.80 118.68 128.84 1rgu s LEU 225 Ca -0.05 0.04 -0.15 0.00 -0.22 0.00 0.00 54.13 53.76 1rgu s LEU 225 Cb -0.13 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 1rgu s LEU 225 CO -0.02 0.04 0.35 -0.76 -1.32 0.00 0.00 176.35 174.63 1rgu s LEU 226 N 1.23 4.23 -0.34 -0.68 1.43 0.10 0.57 118.68 125.23 1rgu s LEU 226 Ca 0.07 0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.09 1rgu s LEU 226 Cb -0.14 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.74 1rgu s LEU 226 CO 0.06 -0.25 0.14 -0.69 0.23 0.00 0.00 176.35 175.84 1rgu s VAL 227 N 2.02 4.26 0.30 -1.59 1.01 0.10 -1.04 120.40 125.47 1rgu s VAL 227 Ca 0.13 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1rgu s VAL 227 Cb -0.16 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1rgu s VAL 227 CO 0.11 -0.09 0.15 -1.38 0.00 0.00 0.00 175.10 173.89 1rgu s HIS 228 N 1.52 1.61 -0.10 5.22 -0.00 -0.97 -1.66 115.29 120.91 1rgu s HIS 228 Ca 0.02 -1.35 0.15 0.00 -0.00 0.00 0.00 55.06 53.88 1rgu s HIS 228 Cb -0.18 -0.87 0.23 0.00 -0.00 0.00 0.00 32.58 31.75 1rgu s HIS 228 CO 0.05 -0.50 1.11 0.41 -0.00 0.00 0.00 174.74 175.81 1rgu n GLY 229 N -0.59 4.12 3.77 -1.38 0.00 -1.26 -0.24 105.19 109.61 1rgu n GLY 229 Ca 0.01 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.49 6.38 0.28 1.61 1.01 -1.26 -4.78 116.67 117.41 1rgu s ASP 230 Ca 0.25 2.30 0.06 0.00 0.71 0.00 0.00 52.55 55.87 1rgu s ASP 230 Cb 0.22 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.49 1rgu s ASP 230 CO 0.02 -0.77 -0.04 -0.54 0.21 0.00 0.00 175.17 174.05 1rgu s LYS 231 N -2.51 1.52 2.42 8.23 1.02 -1.26 -4.51 119.74 124.66 1rgu s LYS 231 Ca 0.60 -1.78 0.00 0.00 0.02 0.00 0.00 55.97 54.81 1rgu s LYS 231 Cb -0.29 -1.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.97 1rgu s LYS 231 CO 0.36 -0.00 0.00 0.54 -0.92 0.00 0.00 175.35 175.33 1rgu n ARG 232 N -0.57 0.00 -0.10 1.68 1.74 -1.26 -2.23 116.66 115.92 1rgu n ARG 232 Ca -0.05 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.90 1rgu n ARG 232 Cb 0.64 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.04 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 0.74 -0.75 5.56 3.07 -1.99 -2.54 114.58 118.66 1rgu h GLU 233 Ca 0.00 -0.37 0.10 0.00 -0.50 0.00 0.00 59.36 58.59 1rgu h GLU 233 Cb 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 1rgu h GLU 233 CO 0.00 0.99 0.39 0.00 -1.40 0.00 0.00 179.01 178.99 1rgu h ALA 234 N 0.74 1.05 -0.37 3.43 0.00 -1.84 0.83 119.26 123.09 1rgu h ALA 234 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1rgu h ALA 234 Cb 0.82 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1rgu h ALA 234 CO 0.07 -0.01 0.25 -0.22 0.00 0.00 0.00 179.25 179.34 1rgu h LYS 235 N 0.66 0.49 -0.55 0.00 3.64 -1.26 -1.33 116.57 118.21 1rgu h LYS 235 Ca 0.37 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.64 1rgu h LYS 235 Cb 0.38 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1rgu h LYS 235 CO -0.27 0.33 0.02 0.00 -2.27 0.00 0.00 179.45 177.26 1rgu h ALA 236 N 1.13 1.01 -0.71 5.00 0.00 -0.94 -0.88 119.26 123.87 1rgu h ALA 236 Ca 0.14 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1rgu h ALA 236 Cb -0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1rgu h ALA 236 CO -0.03 0.62 0.47 0.45 0.00 0.00 0.00 179.25 180.76 1rgu h HIS 237 N 0.86 0.89 -0.33 0.00 3.86 -0.56 0.45 115.15 120.32 1rgu h HIS 237 Ca 0.16 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.33 1rgu h HIS 237 Cb 0.47 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1rgu h HIS 237 CO 0.03 0.56 -0.03 1.25 0.86 0.00 0.00 177.93 180.59 1rgu h LEU 238 N 0.96 0.59 -0.78 2.43 5.85 -1.05 0.11 115.31 123.42 1rgu h LEU 238 Ca 0.26 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.70 1rgu h LEU 238 Cb -0.10 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.71 1rgu h LEU 238 CO -0.06 0.78 0.47 0.45 -0.34 0.00 0.00 178.44 179.75 1rgu h HIS 239 N 0.39 0.88 0.37 1.25 3.86 -0.73 -0.13 115.15 121.04 1rgu h HIS 239 Ca 0.09 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 1rgu h HIS 239 Cb 0.50 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 1rgu h HIS 239 CO 0.04 0.46 -0.21 0.00 0.86 0.00 0.00 177.93 179.08 1rgu h ALA 240 N 1.37 -0.54 -0.95 2.45 0.00 0.14 0.43 119.26 122.15 1rgu h ALA 240 Ca 0.33 -0.11 0.25 0.00 0.00 0.00 0.00 54.91 55.39 1rgu h ALA 240 Cb 0.13 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.03 1rgu h ALA 240 CO -0.16 -0.81 0.48 1.96 0.00 0.00 0.00 179.25 180.72 1rgu h GLN 241 N -0.54 0.41 0.07 0.00 4.20 -0.50 -2.49 115.11 116.25 1rgu h GLN 241 Ca -0.04 -0.02 -0.27 0.00 0.06 0.00 0.00 58.65 58.37 1rgu h GLN 241 Cb 0.44 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1rgu h GLN 241 CO 0.06 0.27 -1.34 0.00 -0.67 0.00 0.00 178.83 177.15 1rgu h ALA 242 N 1.76 0.34 -0.61 3.87 0.00 -0.33 -3.38 119.26 120.91 1rgu h ALA 242 Ca 0.63 -1.06 0.10 0.00 0.00 0.00 0.00 54.91 54.58 1rgu h ALA 242 Cb 1.27 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.08 1rgu h ALA 242 CO -0.54 1.21 -0.22 1.17 0.00 0.00 0.00 179.25 180.87 1rgu n LYS 243 N -3.38 -0.12 0.31 0.00 4.81 0.14 -0.89 118.16 119.03 1rgu n LYS 243 Ca -0.10 0.94 0.18 0.00 -0.87 0.00 0.00 58.31 58.46 1rgu n LYS 243 Cb 1.01 -1.39 1.02 0.00 0.02 0.00 0.00 35.03 35.69 1rgu n LYS 243 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1rgu h PRO 244 N 0.00 0.00 -4.48 1.64 0.11 -1.75 -3.39 132.00 124.14 1rgu h PRO 244 Ca 0.23 0.00 -0.72 0.00 0.11 0.00 0.00 66.00 65.62 1rgu h PRO 244 Cb 0.38 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.24 1rgu h PRO 244 CO -0.61 0.00 -0.46 0.71 -0.21 0.00 0.00 178.00 177.43 1rgu s TYR 245 N -4.44 3.28 0.36 0.65 2.02 -0.07 -4.95 117.35 114.20 1rgu s TYR 245 Ca -0.05 -1.20 0.08 0.00 -0.37 0.00 0.00 57.07 55.53 1rgu s TYR 245 Cb 0.14 -2.79 0.79 0.00 -0.40 0.00 0.00 41.96 39.71 1rgu s TYR 245 CO 0.49 -0.76 1.90 1.05 -1.57 0.00 0.00 175.55 176.66 1rgu h GLU 246 N 8.48 0.69 0.00 -0.62 4.11 -1.83 -2.63 114.58 122.78 1rgu h GLU 246 Ca -0.25 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1rgu h GLU 246 Cb 1.10 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1rgu h GLU 246 CO 0.74 0.46 0.00 0.27 0.07 0.00 0.00 179.01 180.55 1rgu n ASN 247 N -4.53 0.00 -4.61 3.06 6.94 -1.26 -4.80 115.26 110.07 1rgu n ASN 247 Ca 0.15 -0.54 -0.36 0.00 -0.02 0.00 0.00 54.58 53.82 1rgu n ASN 247 Cb 0.39 -0.11 -0.10 0.00 -2.36 0.00 0.00 39.78 37.59 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 -2.22 4.92 0.35 1.53 1.01 -0.99 -1.01 121.20 124.78 1rgu s ILE 248 Ca 0.34 0.02 0.08 0.00 0.00 0.00 0.00 60.65 61.09 1rgu s ILE 248 Cb 0.18 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 1rgu s ILE 248 CO 0.34 0.39 0.15 -0.44 0.00 0.00 0.00 174.94 175.37 1rgu s SER 249 N 0.91 4.63 0.09 3.58 0.01 0.02 -4.96 113.70 117.99 1rgu s SER 249 Ca 0.05 -0.82 0.08 0.00 1.31 0.00 0.00 55.95 56.58 1rgu s SER 249 Cb -0.13 -0.68 -0.03 0.00 0.21 0.00 0.00 66.02 65.38 1rgu s SER 249 CO 0.03 -0.34 -0.22 -0.76 0.41 0.00 0.00 173.24 172.36 1rgu s LEU 250 N -3.86 2.27 -0.15 2.44 1.02 -1.26 -0.72 118.68 118.42 1rgu s LEU 250 Ca 0.38 -0.66 -0.02 0.00 0.02 0.00 0.00 54.13 53.85 1rgu s LEU 250 Cb -0.02 -0.96 0.05 0.00 0.02 0.00 0.00 46.19 45.28 1rgu s LEU 250 CO 0.23 0.10 0.02 0.00 0.02 0.00 0.00 176.35 176.72 1rgu s GLN 252 N 1.89 4.29 -0.02 0.00 0.74 -1.26 -2.28 119.66 123.00 1rgu s GLN 252 Ca 0.01 0.90 -0.27 0.00 0.05 0.00 0.00 55.36 56.05 1rgu s GLN 252 Cb -0.15 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.36 1rgu s GLN 252 CO -0.07 -0.27 0.84 0.00 -0.55 0.00 0.00 175.29 175.24 1rgu s ALA 253 N 1.97 3.25 0.24 1.58 0.00 0.67 -4.97 121.76 124.50 1rgu s ALA 253 Ca 0.36 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 1rgu s ALA 253 Cb -0.16 -3.15 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1rgu s ALA 253 CO 0.12 -0.15 1.45 -1.59 0.00 0.00 0.00 175.76 175.59 1rgu s LYS 254 N 0.84 4.26 -0.56 0.00 -2.85 -1.26 -4.68 119.74 115.48 1rgu s LYS 254 Ca 0.45 2.31 0.06 0.00 -1.00 0.00 0.00 55.97 57.78 1rgu s LYS 254 Cb -0.20 -3.11 0.21 0.00 -2.06 0.00 0.00 37.83 32.67 1rgu s LYS 254 CO 0.23 -0.43 0.54 1.28 0.10 0.00 0.00 175.35 177.07 1rgu n LEU 255 N 2.42 1.92 0.18 2.77 4.77 -1.26 -4.92 117.00 122.88 1rgu n LEU 255 Ca 0.07 -4.99 0.14 0.00 -0.03 0.00 0.00 56.01 51.19 1rgu n LEU 255 Cb 0.40 -0.18 0.51 0.00 -2.33 0.00 0.00 43.42 41.82 1rgu n LEU 255 CO 0.61 1.92 0.90 0.44 -1.33 0.00 0.00 177.39 179.93 1rgu h ASP 256 N 4.84 0.00 -3.02 -1.43 3.45 -1.92 -3.43 116.42 114.90 1rgu h ASP 256 Ca 0.17 0.00 -0.65 0.00 0.43 0.00 0.00 57.03 56.98 1rgu h ASP 256 Cb 0.79 0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 39.44 1rgu h ASP 256 CO 0.63 0.00 -0.54 -0.63 -1.57 0.00 0.00 179.24 177.13 1rgu s ILE 257 N -3.38 5.03 0.50 0.35 1.01 -1.26 -5.06 121.20 118.38 1rgu s ILE 257 Ca 0.05 0.04 -0.23 0.00 0.00 0.00 0.00 60.65 60.50 1rgu s ILE 257 Cb 0.09 -3.20 -0.06 0.00 0.01 0.00 0.00 42.46 39.29 1rgu s ILE 257 CO 0.50 0.56 1.35 0.00 0.00 0.00 0.00 174.94 177.35 1rgu s ALA 258 N -0.53 3.00 -0.07 9.38 0.00 -1.26 -2.83 121.76 129.45 1rgu s ALA 258 Ca 0.11 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1rgu s ALA 258 Cb -0.12 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1rgu s ALA 258 CO 0.02 -1.20 0.00 1.19 0.00 0.00 0.00 175.76 175.77 1rgu n PHE 259 N -0.62 0.00 -2.94 0.00 3.01 -1.26 -4.99 117.46 110.66 1rgu n PHE 259 Ca 0.08 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.24 1rgu n PHE 259 Cb 0.44 -0.58 -0.03 0.00 -0.01 0.00 0.00 39.48 39.30 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 -2.11 1.95 0.10 1.37 0.00 -1.13 -4.93 107.32 102.57 1rgu s GLY 260 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 44.72 44.51 1rgu s GLY 260 CO 0.00 -0.07 -0.09 -0.51 0.00 0.00 0.00 173.10 172.42 1rgu s THR 261 N -2.31 0.93 -0.90 0.90 -4.23 -1.26 -4.98 115.64 103.78 1rgu s THR 261 Ca 0.50 -1.75 -0.20 0.00 -1.18 0.00 0.00 61.69 59.05 1rgu s THR 261 Cb -0.10 -1.49 0.10 0.00 1.34 0.00 0.00 72.50 72.35 1rgu s THR 261 CO 0.31 -0.65 1.18 -2.28 -0.54 0.00 0.00 174.62 172.64 1rgu s HIS 262 N -2.79 2.90 -0.22 3.99 2.46 -1.26 -1.82 115.29 118.55 1rgu s HIS 262 Ca 0.08 -1.11 0.20 0.00 0.47 0.00 0.00 55.06 54.70 1rgu s HIS 262 Cb -0.01 -4.38 -0.29 0.00 -0.13 0.00 0.00 32.58 27.77 1rgu s HIS 262 CO -0.01 -1.63 0.53 1.58 -2.47 0.00 0.00 174.74 172.74 1rgu n HIS 263 N 7.30 0.00 -1.54 3.88 -0.00 -0.56 -3.60 115.22 120.70 1rgu n HIS 263 Ca 0.21 0.00 -0.49 0.00 -0.00 0.00 0.00 57.72 57.44 1rgu n HIS 263 Cb 0.49 -0.36 -0.04 0.00 -0.00 0.00 0.00 29.99 30.08 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 -2.04 1.09 -4.02 3.57 -1.04 -0.97 -4.54 114.28 106.32 1rgu n THR 264 Ca -0.02 -0.27 -0.33 0.00 -2.04 0.00 0.00 64.05 61.39 1rgu n THR 264 Cb 0.48 -0.64 -0.15 0.00 -1.82 0.00 0.00 70.33 68.21 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 -0.57 2.35 -0.08 -2.82 3.01 -1.26 -2.84 119.74 117.53 1rgu s LYS 265 Ca 0.72 -1.29 -0.11 0.00 -1.01 0.00 0.00 55.97 54.28 1rgu s LYS 265 Cb -0.89 -2.96 0.03 0.00 -1.01 0.00 0.00 37.83 32.99 1rgu s LYS 265 CO 0.54 -0.56 0.29 1.41 0.51 0.00 0.00 175.35 177.54 1rgu s MET 266 N 1.16 0.43 -0.12 1.68 1.75 -0.88 -1.60 119.30 121.73 1rgu s MET 266 Ca -0.07 0.20 0.01 0.00 -1.25 0.00 0.00 55.69 54.58 1rgu s MET 266 Cb -0.19 0.20 -0.01 0.00 2.84 0.00 0.00 34.83 37.66 1rgu s MET 266 CO -0.04 -0.08 -0.15 -1.64 -0.65 0.00 0.00 175.02 172.45 1rgu s MET 267 N -0.32 3.24 -0.22 4.11 -1.94 0.58 -0.41 119.30 124.34 1rgu s MET 267 Ca -0.04 -0.72 -0.06 0.00 -1.71 0.00 0.00 55.69 53.15 1rgu s MET 267 Cb -0.03 -2.54 -0.03 0.00 2.01 0.00 0.00 34.83 34.24 1rgu s MET 267 CO 0.01 0.25 0.03 -0.51 -0.01 0.00 0.00 175.02 174.79 1rgu s LEU 268 N 0.25 3.35 -0.31 -0.03 1.43 -0.22 -0.85 118.68 122.30 1rgu s LEU 268 Ca -0.10 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1rgu s LEU 268 Cb -0.16 -1.87 0.09 0.00 0.03 0.00 0.00 46.19 44.28 1rgu s LEU 268 CO 0.06 0.04 0.00 -0.76 0.23 0.00 0.00 176.35 175.91 1rgu s LEU 269 N 1.18 4.08 -0.22 1.79 1.43 -0.09 -0.61 118.68 126.24 1rgu s LEU 269 Ca 0.03 -1.84 -0.20 0.00 -1.03 0.00 0.00 54.13 51.09 1rgu s LEU 269 Cb -0.14 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 1rgu s LEU 269 CO 0.02 -0.32 0.62 -0.22 0.23 0.00 0.00 176.35 176.69 1rgu s LEU 270 N 1.04 4.11 0.40 1.79 2.96 -0.34 -0.94 118.68 127.69 1rgu s LEU 270 Ca 0.04 0.77 0.08 0.00 -0.22 0.00 0.00 54.13 54.79 1rgu s LEU 270 Cb -0.19 -2.87 -0.06 0.00 0.50 0.00 0.00 46.19 43.57 1rgu s LEU 270 CO -0.08 -0.31 0.11 -0.31 -1.32 0.00 0.00 176.35 174.44 1rgu s TYR 271 N 2.18 2.58 0.32 5.38 2.02 0.67 -0.59 117.35 129.91 1rgu s TYR 271 Ca 0.27 -0.58 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1rgu s TYR 271 Cb -0.16 -1.83 0.53 0.00 -0.40 0.00 0.00 41.96 40.10 1rgu s TYR 271 CO 0.09 0.30 1.93 0.93 -1.57 0.00 0.00 175.55 177.24 1rgu h GLU 272 N 1.57 0.85 0.00 -0.62 5.08 -1.47 -3.06 114.58 116.93 1rgu h GLU 272 Ca -0.43 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1rgu h GLU 272 Cb 1.25 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1rgu h GLU 272 CO 0.72 0.64 -0.45 0.39 -1.00 0.00 0.00 179.01 179.31 1rgu n GLU 273 N -4.37 0.11 0.00 2.33 4.71 -1.26 -5.01 120.64 117.14 1rgu n GLU 273 Ca 0.06 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 1rgu n GLU 273 Cb 0.11 -1.57 0.00 0.00 -1.01 0.00 0.00 31.44 28.97 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 1.44 -0.50 2.95 0.62 0.00 -1.16 -4.51 105.19 104.03 1rgu n GLY 274 Ca 0.05 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 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 2.02 -0.01 0.99 2.96 0.36 -0.24 118.68 124.77 1rgu s LEU 275 Ca 0.00 -0.11 0.07 0.00 -0.22 0.00 0.00 54.13 53.87 1rgu s LEU 275 Cb 0.00 -0.23 -0.02 0.00 0.50 0.00 0.00 46.19 46.45 1rgu s LEU 275 CO 0.00 0.04 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.26 1rgu s ARG 276 N -0.19 1.65 -0.13 1.98 3.52 -0.12 -0.61 118.95 125.05 1rgu s ARG 276 Ca 0.01 -0.78 -0.00 0.00 -0.13 0.00 0.00 55.73 54.83 1rgu s ARG 276 Cb -0.02 -1.62 -0.02 0.00 -1.56 0.00 0.00 34.95 31.73 1rgu s ARG 276 CO -0.00 0.44 -0.12 0.08 -0.81 0.00 0.00 175.30 174.88 1rgu s VAL 277 N -0.53 3.11 -0.14 7.11 1.01 -1.26 -0.91 120.40 128.78 1rgu s VAL 277 Ca 0.08 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1rgu s VAL 277 Cb -0.08 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 34.01 1rgu s VAL 277 CO -0.00 0.53 -0.18 -0.69 0.00 0.00 0.00 175.10 174.75 1rgu s VAL 278 N 0.30 1.78 -0.11 2.92 1.01 -0.03 -1.28 120.40 124.98 1rgu s VAL 278 Ca -0.10 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1rgu s VAL 278 Cb -0.16 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 1rgu s VAL 278 CO 0.05 0.49 -0.20 -0.63 0.00 0.00 0.00 175.10 174.82 1rgu s ILE 279 N 1.13 2.38 0.00 2.22 1.01 -0.83 -0.30 121.20 126.80 1rgu s ILE 279 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1rgu s ILE 279 Cb -0.14 -1.94 0.00 0.00 0.01 0.00 0.00 42.46 40.38 1rgu s ILE 279 CO -0.06 0.55 0.00 0.00 0.00 0.00 0.00 174.94 175.42 1rgu n HIS 280 N 3.58 -0.59 -0.24 3.97 1.44 -0.62 -0.00 115.22 122.75 1rgu n HIS 280 Ca -0.19 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.52 1rgu n HIS 280 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 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 0.16 -3.86 0.61 -2.24 -0.90 -4.30 114.28 103.75 1rgu n THR 281 Ca 0.00 -0.46 -0.36 0.00 -2.27 0.00 0.00 64.05 60.96 1rgu n THR 281 Cb 0.00 1.11 -0.06 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.16 6.42 0.74 3.42 0.01 -1.26 -4.79 113.70 118.07 1rgu s SER 282 Ca 0.00 0.47 -0.11 0.00 1.31 0.00 0.00 55.95 57.62 1rgu s SER 282 Cb 0.00 -2.06 0.03 0.00 0.21 0.00 0.00 66.02 64.20 1rgu s SER 282 CO 0.00 0.34 1.08 0.20 0.41 0.00 0.00 173.24 175.27 1rgu s ASN 283 N -1.39 5.00 -1.29 2.44 0.01 -1.26 -4.92 114.94 113.52 1rgu s ASN 283 Ca 0.21 1.51 -0.06 0.00 -0.71 0.00 0.00 52.86 53.80 1rgu s ASN 283 Cb -0.13 -2.32 0.15 0.00 0.41 0.00 0.00 41.25 39.36 1rgu s ASN 283 CO 0.10 -1.67 2.17 0.18 -1.51 0.00 0.00 177.10 176.37 1rgu n LEU 284 N -3.26 7.54 -4.01 0.60 4.77 -0.74 -4.72 117.00 117.17 1rgu n LEU 284 Ca 0.07 -4.85 -0.08 0.00 -0.03 0.00 0.00 56.01 51.12 1rgu n LEU 284 Cb 0.55 -1.39 -0.11 0.00 -2.33 0.00 0.00 43.42 40.14 1rgu n LEU 284 CO 0.56 1.84 -0.34 0.27 -1.33 0.00 0.00 177.39 178.38 1rgu s ILE 285 N -0.87 0.15 0.24 -0.08 -4.36 -1.26 -0.12 121.20 114.89 1rgu s ILE 285 Ca 0.48 -1.21 -0.06 0.00 -0.26 0.00 0.00 60.65 59.60 1rgu s ILE 285 Cb 0.15 -0.72 0.22 0.00 1.25 0.00 0.00 42.46 43.35 1rgu s ILE 285 CO -0.06 -0.67 1.87 -0.74 0.24 0.00 0.00 174.94 175.59 1rgu h HIS 286 N 4.07 1.04 0.00 1.37 -0.00 -1.94 -2.63 115.15 117.06 1rgu h HIS 286 Ca -0.33 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.02 1rgu h HIS 286 Cb 1.18 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 28.25 1rgu h HIS 286 CO 0.61 0.57 -0.23 0.00 -0.00 0.00 0.00 177.93 178.88 1rgu h ALA 287 N 1.38 0.97 0.00 5.26 0.00 -1.97 -1.99 119.26 122.91 1rgu h ALA 287 Ca 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1rgu h ALA 287 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rgu h ALA 287 CO -0.14 0.29 0.00 -0.44 0.00 0.00 0.00 179.25 178.96 1rgu h ASP 288 N 0.00 0.00 -0.10 0.00 3.45 -1.75 -3.20 116.42 114.81 1rgu h ASP 288 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1rgu h ASP 288 Cb 0.83 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.60 1rgu h ASP 288 CO 0.03 0.00 0.00 0.79 -1.57 0.00 0.00 179.24 178.49 1rgu n TRP 289 N -2.30 0.13 -0.03 4.55 7.02 -0.77 -4.60 117.44 121.44 1rgu n TRP 289 Ca 0.02 -0.49 -0.02 0.00 -1.02 0.00 0.00 57.50 55.99 1rgu n TRP 289 Cb 0.24 -0.04 -0.01 0.00 -2.42 0.00 0.00 31.31 29.08 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 -0.19 0.14 -2.20 -5.99 -0.00 -1.06 -4.77 115.22 101.16 1rgu n HIS 290 Ca 0.03 0.06 0.04 0.00 0.46 0.00 0.00 57.72 58.31 1rgu n HIS 290 Cb 0.30 -0.28 0.09 0.00 -0.12 0.00 0.00 29.99 29.97 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 -3.14 0.75 -4.13 1.57 6.02 -1.26 -1.02 117.38 116.17 1rgu n GLN 291 Ca -0.04 -2.59 -0.27 0.00 -0.01 0.00 0.00 57.00 54.09 1rgu n GLN 291 Cb 0.14 -0.71 -0.07 0.00 1.02 0.00 0.00 30.24 30.63 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 -1.42 2.67 -0.31 -1.09 1.02 -1.26 -3.74 119.74 115.61 1rgu s LYS 292 Ca 0.36 -0.95 -0.24 0.00 0.02 0.00 0.00 55.97 55.16 1rgu s LYS 292 Cb 0.38 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 1rgu s LYS 292 CO -0.12 0.48 0.80 0.99 -0.92 0.00 0.00 175.35 176.58 1rgu s THR 293 N -1.68 4.78 0.14 2.17 2.01 -0.28 -4.82 115.64 117.97 1rgu s THR 293 Ca 0.29 1.19 0.06 0.00 0.31 0.00 0.00 61.69 63.54 1rgu s THR 293 Cb -0.10 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 1rgu s THR 293 CO 0.21 -0.26 -0.13 -1.10 -0.69 0.00 0.00 174.62 172.64 1rgu s GLN 294 N 2.98 1.08 0.07 4.92 -1.52 -1.26 -0.99 119.66 124.94 1rgu s GLN 294 Ca 0.33 -1.34 0.07 0.00 -1.95 0.00 0.00 55.36 52.47 1rgu s GLN 294 Cb -0.14 -0.89 -0.04 0.00 -0.22 0.00 0.00 33.01 31.73 1rgu s GLN 294 CO 0.13 0.16 -0.16 0.20 -0.25 0.00 0.00 175.29 175.36 1rgu s GLY 295 N -2.74 1.65 -0.03 3.09 0.00 -1.26 -2.06 107.32 105.97 1rgu s GLY 295 Ca 0.13 -1.24 0.02 0.00 0.00 0.00 0.00 44.72 43.62 1rgu s GLY 295 CO 0.03 -1.17 -0.06 -0.42 0.00 0.00 0.00 173.10 171.49 1rgu s ILE 296 N -1.03 0.60 -0.20 0.90 1.01 0.14 -2.12 121.20 120.49 1rgu s ILE 296 Ca 0.17 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.54 1rgu s ILE 296 Cb -0.11 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 1rgu s ILE 296 CO 0.08 0.22 0.05 0.86 0.00 0.00 0.00 174.94 176.14 1rgu s TRP 297 N 0.58 3.14 -0.26 3.97 -0.00 0.99 -0.14 118.94 127.22 1rgu s TRP 297 Ca -0.08 -0.20 -0.07 0.00 -0.00 0.00 0.00 56.10 55.75 1rgu s TRP 297 Cb -0.12 -2.12 -0.01 0.00 -0.00 0.00 0.00 33.47 31.22 1rgu s TRP 297 CO 0.00 -0.09 0.07 -0.51 -0.00 0.00 0.00 176.95 176.42 1rgu s LEU 298 N 0.86 3.55 0.90 5.86 1.43 -0.71 -1.96 118.68 128.60 1rgu s LEU 298 Ca 0.03 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 1rgu s LEU 298 Cb -0.14 -1.90 0.13 0.00 0.03 0.00 0.00 46.19 44.31 1rgu s LEU 298 CO 0.02 -0.09 1.09 -0.94 0.23 0.00 0.00 176.35 176.66 1rgu s SER 299 N 1.57 3.46 1.00 2.29 1.04 -0.41 -4.81 113.70 117.83 1rgu s SER 299 Ca 0.05 1.52 -0.12 0.00 0.48 0.00 0.00 55.95 57.88 1rgu s SER 299 Cb -0.16 -2.20 0.19 0.00 0.10 0.00 0.00 66.02 63.95 1rgu s SER 299 CO 0.03 -2.65 1.10 -2.16 0.98 0.00 0.00 173.24 170.53 1rgu s PRO 300 N -4.91 0.45 -0.23 4.02 0.04 -1.26 -4.77 135.00 128.34 1rgu s PRO 300 Ca 0.63 0.48 -0.29 0.00 0.04 0.00 0.00 61.00 61.86 1rgu s PRO 300 Cb -0.18 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1rgu s PRO 300 CO 0.57 -2.71 1.50 -1.17 0.04 0.00 0.00 177.00 175.23 1rgu s LEU 301 N -6.43 3.95 -0.28 -3.56 2.96 -1.26 -4.65 118.68 109.40 1rgu s LEU 301 Ca 0.65 1.56 -0.24 0.00 -0.22 0.00 0.00 54.13 55.88 1rgu s LEU 301 Cb -0.18 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 42.97 1rgu s LEU 301 CO 0.57 -1.14 0.80 -0.31 -1.32 0.00 0.00 176.35 174.95 1rgu s TYR 302 N 4.74 3.24 0.60 5.38 2.02 0.22 -4.89 117.35 128.66 1rgu s TYR 302 Ca 0.66 0.92 -0.16 0.00 -0.37 0.00 0.00 57.07 58.12 1rgu s TYR 302 Cb -0.23 -3.15 -0.03 0.00 -0.40 0.00 0.00 41.96 38.15 1rgu s TYR 302 CO 0.26 -0.50 1.08 -1.25 -1.57 0.00 0.00 175.55 173.57 1rgu s PRO 303 N 2.91 3.21 0.38 -1.71 0.04 -1.26 -0.49 135.00 138.07 1rgu s PRO 303 Ca 0.33 1.31 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 1rgu s PRO 303 Cb -0.14 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 1rgu s PRO 303 CO 0.11 -0.91 1.28 1.03 0.04 0.00 0.00 177.00 178.54 1rgu s ARG 304 N -3.95 4.12 0.05 4.56 0.52 -1.26 -1.06 118.95 121.94 1rgu s ARG 304 Ca 0.66 2.12 -0.31 0.00 -0.52 0.00 0.00 55.73 57.68 1rgu s ARG 304 Cb -0.18 -2.86 -0.06 0.00 0.52 0.00 0.00 34.95 32.37 1rgu s ARG 304 CO 0.36 -0.35 1.24 0.42 0.02 0.00 0.00 175.30 176.99 1rgu s ILE 305 N -1.24 3.94 -0.35 1.52 1.01 0.32 -4.76 121.20 121.63 1rgu s ILE 305 Ca 0.54 1.37 -0.44 0.00 0.00 0.00 0.00 60.65 62.12 1rgu s ILE 305 Cb -0.37 -3.88 -0.19 0.00 0.01 0.00 0.00 42.46 38.02 1rgu s ILE 305 CO 0.49 0.08 1.50 0.00 0.00 0.00 0.00 174.94 177.00 1rgu n ALA 306 N 4.21 -1.70 0.25 9.38 0.00 -1.26 -4.72 120.51 126.68 1rgu n ALA 306 Ca 0.10 0.51 0.04 0.00 0.00 0.00 0.00 53.44 54.08 1rgu n ALA 306 Cb 0.46 -1.93 0.20 0.00 0.00 0.00 0.00 19.45 18.17 1rgu n ALA 306 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rgu h ASP 307 N 4.82 0.00 -0.88 0.00 3.32 -1.99 -0.50 116.42 121.18 1rgu h ASP 307 Ca -0.46 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.20 1rgu h ASP 307 Cb 1.38 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.52 1rgu h ASP 307 CO 0.90 0.00 -1.03 0.61 -1.72 0.00 0.00 179.24 178.00 1rgu n GLY 308 N -1.33 3.20 3.13 2.75 0.00 -1.26 -5.10 105.19 106.58 1rgu n GLY 308 Ca -0.00 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 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 -4.01 0.80 -0.63 2.61 -1.32 -0.20 -5.11 115.64 107.78 1rgu s THR 309 Ca 0.35 -1.40 -0.12 0.00 -1.21 0.00 0.00 61.69 59.30 1rgu s THR 309 Cb 0.40 -1.07 0.16 0.00 -1.51 0.00 0.00 72.50 70.48 1rgu s THR 309 CO -0.03 -0.47 0.54 -1.00 -2.21 0.00 0.00 174.62 171.46 1rgu s HIS 310 N -1.96 3.48 0.02 9.09 4.02 -1.26 -4.88 115.29 123.80 1rgu s HIS 310 Ca -0.01 -1.84 -0.06 0.00 1.02 0.00 0.00 55.06 54.17 1rgu s HIS 310 Cb -0.06 -3.66 -0.01 0.00 -1.02 0.00 0.00 32.58 27.83 1rgu s HIS 310 CO 0.00 -0.98 0.12 -1.59 1.02 0.00 0.00 174.74 173.30 1rgu s LYS 311 N 0.87 0.55 0.23 1.40 -2.85 -1.26 -5.04 119.74 113.63 1rgu s LYS 311 Ca 0.10 -0.60 0.06 0.00 -1.00 0.00 0.00 55.97 54.53 1rgu s LYS 311 Cb -0.21 0.22 0.21 0.00 -2.06 0.00 0.00 37.83 35.99 1rgu s LYS 311 CO -0.03 -0.14 1.53 0.66 0.10 0.00 0.00 175.35 177.47 1rgu h SER 312 N 3.92 0.18 -1.48 0.03 4.64 -1.97 -3.47 113.55 115.40 1rgu h SER 312 Ca -0.32 -0.11 -0.34 0.00 -0.47 0.00 0.00 61.79 60.55 1rgu h SER 312 Cb 1.19 -0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 63.14 1rgu h SER 312 CO 0.46 0.80 -0.36 0.61 -0.87 0.00 0.00 176.83 177.47 1rgu n GLY 313 N 0.43 0.82 3.87 -0.77 0.00 -1.26 -4.88 105.19 103.40 1rgu n GLY 313 Ca -0.02 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.02 3.80 0.33 1.61 2.56 -1.26 0.29 118.70 122.01 1rgu s GLU 314 Ca 0.00 0.26 0.02 0.00 0.00 0.00 0.00 54.97 55.25 1rgu s GLU 314 Cb 0.00 -2.73 -0.02 0.00 2.00 0.00 0.00 34.13 33.37 1rgu s GLU 314 CO 0.00 0.37 0.51 -1.54 -0.56 0.00 0.00 175.26 174.04 1rgu s SER 315 N -2.24 6.19 0.61 -1.70 1.04 -1.26 -4.11 113.70 112.24 1rgu s SER 315 Ca 0.44 0.25 0.29 0.00 0.48 0.00 0.00 55.95 57.41 1rgu s SER 315 Cb -0.12 -1.82 1.50 0.00 0.10 0.00 0.00 66.02 65.68 1rgu s SER 315 CO 0.21 -0.31 1.89 1.55 0.98 0.00 0.00 173.24 177.56 1rgu h PRO 316 N 0.82 0.00 -0.01 4.02 0.13 -1.81 -0.24 132.00 134.91 1rgu h PRO 316 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1rgu h PRO 316 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1rgu h PRO 316 CO 0.60 0.00 -0.10 0.25 -0.23 0.00 0.00 178.00 178.51 1rgu n THR 317 N -3.48 0.00 -1.84 1.56 -2.24 -1.26 -4.94 114.28 102.07 1rgu n THR 317 Ca 0.05 -0.18 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 1rgu n THR 317 Cb 0.59 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 69.14 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 -0.28 -0.34 -0.00 4.78 8.25 -0.10 -4.76 115.22 122.77 1rgu n HIS 318 Ca 0.16 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.52 1rgu n HIS 318 Cb 0.33 -2.90 -0.04 0.00 1.12 0.00 0.00 29.99 28.50 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 -0.09 0.25 4.41 3.57 -1.84 0.56 116.94 123.80 1rgu h PHE 319 Ca -0.33 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.18 1rgu h PHE 319 Cb 1.12 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 1rgu h PHE 319 CO 0.42 -0.06 -0.50 -0.22 -2.23 0.00 0.00 178.31 175.71 1rgu h LYS 320 N -0.02 -0.79 -0.86 1.11 3.64 -1.88 0.15 116.57 117.92 1rgu h LYS 320 Ca 0.06 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1rgu h LYS 320 Cb 0.11 0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 1rgu h LYS 320 CO -0.13 -0.53 0.57 0.00 -2.27 0.00 0.00 179.45 177.10 1rgu h ALA 321 N -0.56 1.43 -0.33 5.00 0.00 -1.94 -1.44 119.26 121.42 1rgu h ALA 321 Ca -0.02 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1rgu h ALA 321 Cb 0.78 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1rgu h ALA 321 CO -0.20 0.50 -0.29 -0.91 0.00 0.00 0.00 179.25 178.35 1rgu h ASN 322 N 1.11 0.71 -0.38 0.00 -0.26 -0.29 -1.11 115.58 115.36 1rgu h ASN 322 Ca 0.33 -0.27 -0.10 0.00 -0.56 0.00 0.00 56.30 55.70 1rgu h ASN 322 Cb -0.03 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.02 1rgu h ASN 322 CO -0.09 0.96 -0.15 0.25 -1.06 0.00 0.00 177.43 177.34 1rgu h LEU 323 N 0.59 0.79 -0.80 1.61 5.85 -0.42 -0.72 115.31 122.21 1rgu h LEU 323 Ca 0.07 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.42 1rgu h LEU 323 Cb 0.79 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1rgu h LEU 323 CO 0.06 1.01 0.52 0.40 -0.34 0.00 0.00 178.44 180.10 1rgu h ILE 324 N 0.58 1.18 -0.28 4.05 2.04 -1.10 -0.85 117.51 123.12 1rgu h ILE 324 Ca 0.09 -0.36 -0.12 0.00 1.00 0.00 0.00 64.86 65.46 1rgu h ILE 324 Cb 0.69 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1rgu h ILE 324 CO 0.05 0.19 -0.34 0.28 0.00 0.00 0.00 178.15 178.33 1rgu h SER 325 N 1.06 0.65 -0.31 1.72 0.02 -1.04 0.25 113.55 115.89 1rgu h SER 325 Ca 0.30 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1rgu h SER 325 Cb -0.08 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1rgu h SER 325 CO -0.08 0.93 0.19 0.22 -1.14 0.00 0.00 176.83 176.95 1rgu h TYR 326 N 0.52 0.41 -0.07 3.45 3.20 -0.75 -2.53 116.97 121.20 1rgu h TYR 326 Ca 0.06 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.79 1rgu h TYR 326 Cb 0.83 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1rgu h TYR 326 CO 0.04 0.30 -0.55 -0.07 -1.64 0.00 0.00 178.16 176.24 1rgu h LEU 327 N 0.40 0.24 -1.68 2.82 3.38 -0.80 -2.94 115.31 116.71 1rgu h LEU 327 Ca 0.11 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1rgu h LEU 327 Cb 0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1rgu h LEU 327 CO -0.02 0.74 -0.07 0.74 0.09 0.00 0.00 178.44 179.92 1rgu h THR 328 N 0.17 1.10 0.00 0.22 2.02 -0.33 -2.30 112.91 113.78 1rgu h THR 328 Ca 0.00 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1rgu h THR 328 Cb 1.02 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1rgu h THR 328 CO 0.08 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.11 1rgu h ALA 329 N 1.82 1.00 0.00 6.16 0.00 -1.26 -1.90 119.26 125.08 1rgu h ALA 329 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1rgu h ALA 329 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1rgu h ALA 329 CO 0.01 0.00 -0.56 1.88 0.00 0.00 0.00 179.25 180.58 1rgu h TYR 330 N 0.00 0.00 -5.55 0.00 -1.99 -1.55 -3.47 116.97 104.41 1rgu h TYR 330 Ca 0.00 0.00 -0.36 0.00 2.00 0.00 0.00 58.73 60.37 1rgu h TYR 330 Cb 0.35 0.00 0.14 0.00 2.00 0.00 0.00 36.73 39.22 1rgu h TYR 330 CO 0.00 0.56 -0.67 -1.71 -0.00 0.00 0.00 178.16 176.34 1rgu n ASN 331 N -3.62 -5.03 -4.22 3.88 5.15 -0.72 -4.71 115.26 105.98 1rgu n ASN 331 Ca -0.00 -0.53 -0.32 0.00 -0.60 0.00 0.00 54.58 53.12 1rgu n ASN 331 Cb 0.62 -4.81 -0.17 0.00 -0.53 0.00 0.00 39.78 34.88 1rgu n ASN 331 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rgu s ALA 332 N -3.31 2.18 0.20 5.20 0.00 -1.26 -5.04 121.76 119.73 1rgu s ALA 332 Ca 0.40 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 51.29 1rgu s ALA 332 Cb -0.18 -0.82 0.26 0.00 0.00 0.00 0.00 23.12 22.38 1rgu s ALA 332 CO 0.69 0.28 1.73 -1.00 0.00 0.00 0.00 175.76 177.46 1rgu h PRO 333 N 6.72 0.32 0.00 0.00 0.13 -2.00 -1.05 132.00 136.12 1rgu h PRO 333 Ca -0.19 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.90 1rgu h PRO 333 Cb 1.24 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1rgu h PRO 333 CO 0.47 0.21 -0.08 0.66 -0.23 0.00 0.00 178.00 179.04 1rgu h SER 334 N 0.33 0.00 1.53 1.44 4.64 -1.96 -2.31 113.55 117.22 1rgu h SER 334 Ca 0.30 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.56 1rgu h SER 334 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1rgu h SER 334 CO -0.34 0.08 -0.48 -0.07 -0.87 0.00 0.00 176.83 175.15 1rgu h LEU 335 N 0.00 0.00 -1.03 5.97 3.38 -1.59 -3.24 115.31 118.80 1rgu h LEU 335 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1rgu h LEU 335 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1rgu h LEU 335 CO 0.01 0.23 -0.14 0.50 0.09 0.00 0.00 178.44 179.12 1rgu h LYS 336 N 0.00 0.53 -0.45 1.13 1.63 -1.04 0.32 116.57 118.69 1rgu h LYS 336 Ca -0.02 -0.16 -0.04 0.00 -0.85 0.00 0.00 60.65 59.58 1rgu h LYS 336 Cb 1.19 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.75 1rgu h LYS 336 CO 0.03 0.66 0.12 0.93 -3.45 0.00 0.00 179.45 177.73 1rgu h GLU 337 N 0.48 0.71 -0.69 1.90 4.39 -1.60 0.10 114.58 119.87 1rgu h GLU 337 Ca 0.09 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1rgu h GLU 337 Cb 0.53 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1rgu h GLU 337 CO 0.03 0.70 0.26 -1.49 -1.16 0.00 0.00 179.01 177.36 1rgu h TRP 338 N 0.59 1.04 -0.72 4.33 4.06 -1.37 -0.39 115.95 123.49 1rgu h TRP 338 Ca 0.14 -0.07 0.02 0.00 2.06 0.00 0.00 58.89 61.04 1rgu h TRP 338 Cb 0.31 -0.31 -0.04 0.00 -1.00 0.00 0.00 29.16 28.11 1rgu h TRP 338 CO 0.02 0.80 0.46 0.82 -3.56 0.00 0.00 178.44 176.98 1rgu h ILE 339 N 1.01 1.12 -0.58 1.49 2.04 -0.00 -0.50 117.51 122.08 1rgu h ILE 339 Ca 0.23 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 1rgu h ILE 339 Cb 0.21 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1rgu h ILE 339 CO -0.02 0.17 0.22 0.44 0.00 0.00 0.00 178.15 178.96 1rgu h ASP 340 N 0.91 0.81 -0.73 1.72 3.45 -0.45 -0.78 116.42 121.34 1rgu h ASP 340 Ca 0.28 -0.18 0.02 0.00 0.43 0.00 0.00 57.03 57.59 1rgu h ASP 340 Cb -0.01 -0.21 -0.04 0.00 -0.56 0.00 0.00 39.33 38.50 1rgu h ASP 340 CO -0.10 0.77 0.47 0.58 -1.57 0.00 0.00 179.24 179.39 1rgu h VAL 341 N 0.81 1.13 -0.53 -1.35 2.07 -0.63 -2.76 116.25 114.99 1rgu h VAL 341 Ca 0.19 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.28 1rgu h VAL 341 Cb 0.22 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1rgu h VAL 341 CO -0.01 0.17 -0.10 0.40 0.02 0.00 0.00 177.57 178.05 1rgu h ILE 342 N 0.93 1.27 -0.89 4.57 2.04 -0.63 -1.99 117.51 122.80 1rgu h ILE 342 Ca 0.28 -1.24 0.18 0.00 1.00 0.00 0.00 64.86 65.08 1rgu h ILE 342 Cb -0.03 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 1rgu h ILE 342 CO -0.09 0.44 0.58 0.45 0.00 0.00 0.00 178.15 179.53 1rgu h HIS 343 N 0.88 0.66 -0.01 1.37 3.86 -0.95 -1.08 115.15 119.89 1rgu h HIS 343 Ca 0.14 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1rgu h HIS 343 Cb 0.65 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1rgu h HIS 343 CO 0.04 0.20 -0.04 1.63 0.86 0.00 0.00 177.93 180.62 1rgu n LYS 344 N -4.55 1.13 -4.27 2.45 5.02 -0.76 -4.85 118.16 112.33 1rgu n LYS 344 Ca 0.19 -0.42 -0.23 0.00 -2.02 0.00 0.00 58.31 55.83 1rgu n LYS 344 Cb 0.60 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 34.05 1rgu n LYS 344 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1rgu s HIS 345 N -2.16 2.75 -0.51 2.13 3.76 -0.41 -0.53 115.29 120.33 1rgu s HIS 345 Ca 0.38 -0.21 -0.18 0.00 -0.15 0.00 0.00 55.06 54.91 1rgu s HIS 345 Cb 0.21 -1.22 0.07 0.00 1.11 0.00 0.00 32.58 32.75 1rgu s HIS 345 CO 0.39 0.61 0.56 0.34 -0.85 0.00 0.00 174.74 175.79 1rgu s ASP 346 N -3.66 6.19 -0.20 1.40 -1.08 -0.22 -4.68 116.67 114.43 1rgu s ASP 346 Ca 0.31 -1.17 0.15 0.00 -0.52 0.00 0.00 52.55 51.33 1rgu s ASP 346 Cb -0.07 -2.25 0.75 0.00 -1.46 0.00 0.00 42.92 39.89 1rgu s ASP 346 CO 0.20 -0.85 1.67 0.18 0.52 0.00 0.00 175.17 176.90 1rgu n LEU 347 N 5.84 5.21 0.29 -1.34 4.32 0.14 -4.08 117.00 127.39 1rgu n LEU 347 Ca -0.09 -2.82 0.16 0.00 -0.02 0.00 0.00 56.01 53.24 1rgu n LEU 347 Cb 0.44 -0.63 0.90 0.00 -1.62 0.00 0.00 43.42 42.51 1rgu n LEU 347 CO 0.53 0.68 1.08 0.77 -1.22 0.00 0.00 177.39 179.23 1rgu h SER 348 N 3.68 0.00 0.63 -1.43 4.64 -1.63 -2.07 113.55 117.37 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 1.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.85 1rgu h SER 348 CO 0.39 0.04 0.00 -0.62 -0.87 0.00 0.00 176.83 175.76 1rgu n GLU 349 N -3.63 0.15 -1.79 4.77 -0.58 -1.26 -4.36 120.64 113.95 1rgu n GLU 349 Ca -0.02 0.09 -0.42 0.00 -0.42 0.00 0.00 57.16 56.38 1rgu n GLU 349 Cb 0.14 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.48 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 -2.80 2.89 -0.40 2.62 2.01 -0.78 -4.91 115.64 114.27 1rgu s THR 350 Ca 0.16 0.22 0.15 0.00 0.31 0.00 0.00 61.69 62.53 1rgu s THR 350 Cb 0.15 -3.14 0.48 0.00 0.01 0.00 0.00 72.50 70.00 1rgu s THR 350 CO 0.39 -0.01 1.39 -0.46 -0.69 0.00 0.00 174.62 175.24 1rgu n ASN 351 N 6.28 3.68 -4.54 3.53 2.04 -1.26 -4.48 115.26 120.50 1rgu n ASN 351 Ca 0.18 -2.72 -0.24 0.00 -0.44 0.00 0.00 54.58 51.35 1rgu n ASN 351 Cb 0.40 -0.46 -0.09 0.00 -2.53 0.00 0.00 39.78 37.10 1rgu n ASN 351 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 1rgu s VAL 352 N -2.30 2.66 -0.07 3.53 -7.23 -1.26 -4.71 120.40 111.01 1rgu s VAL 352 Ca 0.37 -2.20 -0.04 0.00 -1.81 0.00 0.00 61.98 58.30 1rgu s VAL 352 Cb 0.28 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 1rgu s VAL 352 CO 0.11 -0.33 0.11 -0.31 -0.31 0.00 0.00 175.10 174.37 1rgu s TYR 353 N -2.49 3.45 -0.09 2.82 1.51 -0.64 -4.69 117.35 117.23 1rgu s TYR 353 Ca 0.31 0.38 -0.19 0.00 -1.01 0.00 0.00 57.07 56.56 1rgu s TYR 353 Cb -0.03 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 1rgu s TYR 353 CO 0.17 0.64 0.53 -1.17 -1.11 0.00 0.00 175.55 174.61 1rgu s LEU 354 N -1.29 4.31 -0.22 -1.29 2.96 -1.26 -0.33 118.68 121.55 1rgu s LEU 354 Ca 0.18 0.93 0.01 0.00 -0.22 0.00 0.00 54.13 55.04 1rgu s LEU 354 Cb -0.12 -2.79 0.05 0.00 0.50 0.00 0.00 46.19 43.83 1rgu s LEU 354 CO 0.08 -0.00 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.39 1rgu s ILE 355 N 0.51 1.71 0.25 6.68 1.01 -0.60 -4.95 121.20 125.81 1rgu s ILE 355 Ca 0.29 -1.16 0.10 0.00 0.00 0.00 0.00 60.65 59.88 1rgu s ILE 355 Cb -0.16 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1rgu s ILE 355 CO 0.13 0.07 -0.09 -0.83 0.00 0.00 0.00 174.94 174.22 1rgu s GLY 356 N 1.35 1.74 0.02 6.18 0.00 -1.26 -0.82 107.32 114.53 1rgu s GLY 356 Ca -0.04 -1.69 0.07 0.00 0.00 0.00 0.00 44.72 43.07 1rgu s GLY 356 CO -0.07 -1.75 -0.21 -0.56 0.00 0.00 0.00 173.10 170.51 1rgu s SER 357 N -3.41 2.48 0.04 1.64 0.01 0.48 -0.51 113.70 114.42 1rgu s SER 357 Ca 0.29 -0.47 -0.02 0.00 1.31 0.00 0.00 55.95 57.06 1rgu s SER 357 Cb -0.07 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 1rgu s SER 357 CO 0.17 0.20 0.02 0.42 0.41 0.00 0.00 173.24 174.45 1rgu s THR 358 N -0.68 0.16 0.14 1.44 -4.23 -1.13 -1.51 115.64 109.82 1rgu s THR 358 Ca 0.08 -1.32 -0.31 0.00 -1.18 0.00 0.00 61.69 58.96 1rgu s THR 358 Cb -0.09 -0.97 -0.09 0.00 1.34 0.00 0.00 72.50 72.69 1rgu s THR 358 CO 0.01 -0.73 1.57 -2.84 -0.54 0.00 0.00 174.62 172.09 1rgu s PRO 359 N -2.82 4.22 0.00 3.99 0.02 -1.22 -4.65 135.00 134.55 1rgu s PRO 359 Ca -0.03 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.31 1rgu s PRO 359 Cb 0.00 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1rgu s PRO 359 CO -0.06 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 1rgu n GLY 360 N 3.78 0.61 3.10 0.52 0.00 -0.62 -4.99 105.19 107.59 1rgu n GLY 360 Ca 0.14 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.00 2.84 -0.11 1.61 0.52 -1.26 -1.23 118.95 119.31 1rgu s ARG 361 Ca 0.00 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.38 1rgu s ARG 361 Cb 0.00 -2.55 -0.01 0.00 0.52 0.00 0.00 34.95 32.91 1rgu s ARG 361 CO 0.00 -0.25 -0.19 -0.06 0.02 0.00 0.00 175.30 174.82 1rgu s PHE 362 N 1.29 2.67 0.16 -0.53 0.08 0.33 -4.90 117.98 117.10 1rgu s PHE 362 Ca 0.04 -0.86 0.11 0.00 0.12 0.00 0.00 56.93 56.33 1rgu s PHE 362 Cb -0.14 -1.77 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 1rgu s PHE 362 CO -0.12 -0.32 -0.24 -0.65 -0.10 0.00 0.00 175.22 173.79 1rgu s GLN 363 N 0.33 1.42 7.48 0.44 -0.21 -1.26 -0.53 119.66 127.32 1rgu s GLN 363 Ca -0.15 -1.43 0.00 0.00 0.02 0.00 0.00 55.36 53.80 1rgu s GLN 363 Cb -0.17 -1.76 0.00 0.00 1.00 0.00 0.00 33.01 32.08 1rgu s GLN 363 CO 0.07 0.39 0.00 0.41 -2.12 0.00 0.00 175.29 174.05 1rgu n GLY 364 N 0.53 3.77 0.13 3.09 0.00 -1.25 -1.86 105.19 109.60 1rgu n GLY 364 Ca -0.15 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 5.88 0.77 0.26 1.61 3.41 -1.26 -2.71 113.62 121.57 1rgu n SER 365 Ca 0.00 0.64 0.16 0.00 -0.26 0.00 0.00 58.87 59.41 1rgu n SER 365 Cb 0.00 -0.82 0.58 0.00 -0.26 0.00 0.00 64.21 63.71 1rgu n SER 365 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1rgu h GLN 366 N 0.00 0.00 -0.96 4.33 4.20 -1.73 -3.13 115.11 117.81 1rgu h GLN 366 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1rgu h GLN 366 Cb 0.51 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.25 1rgu h GLN 366 CO 0.00 0.00 0.64 0.87 -0.67 0.00 0.00 178.83 179.67 1rgu h LYS 367 N 0.00 1.27 0.00 1.46 1.57 -1.64 -2.41 116.57 116.82 1rgu h LYS 367 Ca 0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1rgu h LYS 367 Cb 0.60 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1rgu h LYS 367 CO 0.00 0.84 0.00 -0.25 -0.57 0.00 0.00 179.45 179.47 1rgu n ASP 368 N -4.39 0.00 0.04 0.86 8.00 -1.18 -3.52 116.55 116.36 1rgu n ASP 368 Ca 0.11 0.41 -0.08 0.00 0.71 0.00 0.00 54.79 55.95 1rgu n ASP 368 Cb 0.02 -0.44 -0.12 0.00 -0.02 0.00 0.00 41.12 40.55 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 0.00 0.01 -4.79 -2.24 -0.26 -1.62 -3.29 115.58 103.39 1rgu h ASN 369 Ca 0.00 -0.01 -0.24 0.00 -0.56 0.00 0.00 56.30 55.49 1rgu h ASN 369 Cb 0.12 -0.00 -0.19 0.00 -1.06 0.00 0.00 38.32 37.19 1rgu h ASN 369 CO 0.00 1.01 -0.72 0.26 -1.06 0.00 0.00 177.43 176.93 1rgu s TRP 370 N -2.68 0.66 0.00 1.19 0.52 -1.23 -4.70 118.94 112.70 1rgu s TRP 370 Ca -0.00 -0.66 0.00 0.00 0.02 0.00 0.00 56.10 55.46 1rgu s TRP 370 Cb 0.09 -0.40 0.00 0.00 -1.15 0.00 0.00 33.47 32.01 1rgu s TRP 370 CO 0.82 -0.14 0.00 0.41 0.02 0.00 0.00 176.95 178.07 1rgu n GLY 371 N 0.99 1.36 0.23 0.98 0.00 0.33 -2.69 105.19 106.39 1rgu n GLY 371 Ca -0.20 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.08 1.61 2.07 -1.45 -2.37 115.15 114.93 1rgu h HIS 372 Ca 0.00 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.39 1rgu h HIS 372 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 1rgu h HIS 372 CO 0.00 0.19 -0.55 0.74 -3.07 0.00 0.00 177.93 175.24 1rgu h PHE 373 N 0.00 0.28 -0.72 6.12 -1.00 -1.81 -0.17 116.94 119.65 1rgu h PHE 373 Ca -0.00 -0.10 -0.04 0.00 2.81 0.00 0.00 57.97 60.63 1rgu h PHE 373 Cb 0.69 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 40.16 1rgu h PHE 373 CO 0.00 0.73 0.28 -0.09 -1.61 0.00 0.00 178.31 177.62 1rgu h ARG 374 N 0.17 1.08 -0.18 1.51 9.65 -1.21 -0.09 114.38 125.30 1rgu h ARG 374 Ca 0.00 -0.19 -0.17 0.00 -1.10 0.00 0.00 59.98 58.51 1rgu h ARG 374 Cb 1.03 -0.18 0.01 0.00 -1.39 0.00 0.00 29.97 29.44 1rgu h ARG 374 CO 0.09 0.88 -0.57 1.25 2.80 0.00 0.00 179.97 184.42 1rgu h LEU 375 N 1.05 0.81 -0.42 3.80 5.85 -1.18 -1.51 115.31 123.72 1rgu h LEU 375 Ca 0.24 -0.59 0.04 0.00 0.84 0.00 0.00 57.88 58.41 1rgu h LEU 375 Cb 0.22 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1rgu h LEU 375 CO -0.02 1.26 0.18 0.50 -0.34 0.00 0.00 178.44 180.02 1rgu h LYS 376 N 0.40 0.36 -0.39 1.25 3.64 -0.89 -0.22 116.57 120.72 1rgu h LYS 376 Ca -0.02 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1rgu h LYS 376 Cb 1.19 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.88 1rgu h LYS 376 CO 0.12 0.24 0.10 -0.22 -2.27 0.00 0.00 179.45 177.42 1rgu h LYS 377 N 0.37 0.23 -0.34 1.90 1.63 -0.83 -0.52 116.57 119.01 1rgu h LYS 377 Ca 0.19 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.86 1rgu h LYS 377 Cb 0.14 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1rgu h LYS 377 CO -0.17 0.15 -0.28 -0.07 -3.45 0.00 0.00 179.45 175.64 1rgu h LEU 378 N 0.24 0.71 -0.97 5.20 3.38 -0.84 -2.35 115.31 120.68 1rgu h LEU 378 Ca 0.18 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 1rgu h LEU 378 Cb 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1rgu h LEU 378 CO -0.22 0.95 -0.40 -0.07 0.09 0.00 0.00 178.44 178.79 1rgu h LEU 379 N 0.60 0.23 -0.37 1.67 3.38 -0.77 -0.60 115.31 119.45 1rgu h LEU 379 Ca 0.08 -0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 1rgu h LEU 379 Cb 0.78 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1rgu h LEU 379 CO 0.06 0.62 -0.59 0.50 0.09 0.00 0.00 178.44 179.12 1rgu h LYS 380 N 0.19 0.72 0.00 1.13 3.64 -0.93 -1.90 116.57 119.41 1rgu h LYS 380 Ca 0.02 -0.48 -0.20 0.00 -1.27 0.00 0.00 60.65 58.72 1rgu h LYS 380 Cb 0.80 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 1rgu h LYS 380 CO 0.06 1.10 -1.29 -0.44 -2.27 0.00 0.00 179.45 176.61 1rgu h ASP 381 N 0.54 0.00 0.00 4.20 3.32 -1.29 -3.34 116.42 119.85 1rgu h ASP 381 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rgu h ASP 381 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1rgu h ASP 381 CO 0.12 0.76 0.00 1.41 -1.72 0.00 0.00 179.24 179.81 1rgu n HIS 382 N -3.06 0.00 -4.04 4.55 8.25 -0.24 -5.02 115.22 115.66 1rgu n HIS 382 Ca -0.08 -0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.15 1rgu n HIS 382 Cb 0.90 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.97 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 -0.01 3.60 0.09 -1.41 0.00 -1.04 -4.58 121.76 118.41 1rgu s ALA 383 Ca 0.00 -1.57 0.09 0.00 0.00 0.00 0.00 51.96 50.49 1rgu s ALA 383 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 1rgu s ALA 383 CO 0.00 0.15 -0.25 -1.12 0.00 0.00 0.00 175.76 174.55 1rgu s SER 384 N -3.87 3.00 0.18 0.00 0.01 -1.26 -1.89 113.70 109.86 1rgu s SER 384 Ca 0.36 -0.66 -0.06 0.00 1.31 0.00 0.00 55.95 56.90 1rgu s SER 384 Cb -0.06 -0.22 -0.06 0.00 0.21 0.00 0.00 66.02 65.88 1rgu s SER 384 CO 0.25 0.18 0.44 -0.55 0.41 0.00 0.00 173.24 173.96 1rgu s SER 385 N -1.65 6.53 0.01 2.44 0.15 -1.26 -4.61 113.70 115.31 1rgu s SER 385 Ca 0.11 0.69 -0.02 0.00 0.70 0.00 0.00 55.95 57.43 1rgu s SER 385 Cb -0.10 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 62.07 1rgu s SER 385 CO 0.04 0.00 -0.05 1.15 1.20 0.00 0.00 173.24 175.58 1rgu n MET 386 N -0.04 0.07 0.00 5.44 0.00 -1.26 -5.04 117.12 116.28 1rgu n MET 386 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.71 1rgu n MET 386 Cb 0.52 -0.44 0.00 0.00 0.00 0.00 0.00 33.22 33.30 1rgu n MET 386 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1rgu n SER 391 N -3.14 0.00 -4.67 3.17 2.88 -1.26 -5.25 113.62 105.35 1rgu n SER 391 Ca -0.02 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.10 1rgu n SER 391 Cb 0.07 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.50 1rgu n SER 391 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1rgu s TRP 392 N -0.40 2.59 0.93 0.66 0.52 -1.26 -4.36 118.94 117.62 1rgu s TRP 392 Ca 0.00 0.72 -0.11 0.00 0.02 0.00 0.00 56.10 56.73 1rgu s TRP 392 Cb 0.00 -3.66 0.15 0.00 -1.15 0.00 0.00 33.47 28.80 1rgu s TRP 392 CO 0.00 -2.52 1.09 -2.14 0.02 0.00 0.00 176.95 173.40 1rgu s PRO 393 N 3.35 0.98 -0.12 4.98 0.02 -1.19 -4.70 135.00 138.31 1rgu s PRO 393 Ca 0.63 0.92 -0.00 0.00 0.02 0.00 0.00 61.00 62.56 1rgu s PRO 393 Cb -0.28 -1.77 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 1rgu s PRO 393 CO 0.22 -2.46 -0.11 0.08 -0.33 0.00 0.00 177.00 174.40 1rgu s VAL 394 N -2.84 3.24 -0.11 3.83 1.01 -0.54 -3.47 120.40 121.52 1rgu s VAL 394 Ca 0.64 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1rgu s VAL 394 Cb -0.19 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1rgu s VAL 394 CO 0.58 0.53 -0.14 -0.69 0.00 0.00 0.00 175.10 175.38 1rgu s VAL 395 N 0.21 3.02 -0.02 2.92 1.01 0.10 -1.51 120.40 126.13 1rgu s VAL 395 Ca -0.07 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1rgu s VAL 395 Cb -0.15 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 1rgu s VAL 395 CO 0.05 0.54 -0.15 -0.83 0.00 0.00 0.00 175.10 174.71 1rgu s GLY 396 N 0.05 0.76 -0.13 4.51 0.00 0.05 -1.29 107.32 111.28 1rgu s GLY 396 Ca -0.05 -0.63 -0.05 0.00 0.00 0.00 0.00 44.72 43.99 1rgu s GLY 396 CO 0.04 -0.47 0.26 1.62 0.00 0.00 0.00 173.10 174.56 1rgu s GLN 397 N -0.23 0.16 0.28 2.90 -0.44 -0.10 -0.15 119.66 122.08 1rgu s GLN 397 Ca 0.03 0.72 -0.18 0.00 -2.50 0.00 0.00 55.36 53.43 1rgu s GLN 397 Cb -0.07 -0.05 0.01 0.00 -1.64 0.00 0.00 33.01 31.26 1rgu s GLN 397 CO 0.00 -0.27 0.65 -0.59 0.50 0.00 0.00 175.29 175.58 1rgu s PHE 398 N 2.24 0.04 0.00 1.67 -0.71 -1.17 -0.86 117.98 119.19 1rgu s PHE 398 Ca -0.00 -0.48 0.00 0.00 -1.04 0.00 0.00 56.93 55.41 1rgu s PHE 398 Cb -0.12 0.54 0.00 0.00 -1.21 0.00 0.00 43.02 42.23 1rgu s PHE 398 CO -0.08 -1.19 0.34 -1.13 -1.34 0.00 0.00 175.22 171.81 1rgu n SER 399 N -0.54 0.68 -4.01 1.98 3.41 -1.26 -4.64 113.62 109.23 1rgu n SER 399 Ca -0.03 -0.87 -0.12 0.00 -0.26 0.00 0.00 58.87 57.59 1rgu n SER 399 Cb 0.60 0.21 -0.12 0.00 -0.26 0.00 0.00 64.21 64.64 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 -0.21 0.56 -0.09 4.04 0.15 -1.26 -3.66 113.70 113.23 1rgu s SER 400 Ca 0.00 -0.44 -0.00 0.00 0.70 0.00 0.00 55.95 56.21 1rgu s SER 400 Cb 0.00 0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.38 1rgu s SER 400 CO 0.00 -0.19 -0.05 -0.69 1.20 0.00 0.00 173.24 173.51 1rgu s VAL 401 N -1.14 0.78 0.45 4.45 1.01 -1.26 -2.20 120.40 122.49 1rgu s VAL 401 Ca -0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 1rgu s VAL 401 Cb -0.08 -0.84 0.10 0.00 0.00 0.00 0.00 36.38 35.55 1rgu s VAL 401 CO -0.00 0.32 0.62 0.61 0.00 0.00 0.00 175.10 176.65 1rgu n GLY 402 N 4.89 -0.50 3.56 4.51 0.00 0.52 -4.83 105.19 113.34 1rgu n GLY 402 Ca -0.12 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1rgu n GLY 402 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rgu s SER 403 N -3.34 6.49 0.00 1.61 0.15 -1.26 -4.92 113.70 112.42 1rgu s SER 403 Ca 0.37 0.10 0.23 0.00 0.70 0.00 0.00 55.95 57.35 1rgu s SER 403 Cb -0.01 -2.43 0.19 0.00 -1.71 0.00 0.00 66.02 62.06 1rgu s SER 403 CO 0.25 -0.97 1.20 0.18 1.20 0.00 0.00 173.24 175.11 1rgu n LEU 404 N 6.93 1.25 0.00 3.45 4.77 -1.26 -4.75 117.00 127.39 1rgu n LEU 404 Ca 0.05 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1rgu n LEU 404 Cb 0.48 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1rgu n LEU 404 CO 0.61 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1rgu n GLY 405 N 1.44 2.63 0.28 -0.72 0.00 -1.26 -4.20 105.19 103.36 1rgu n GLY 405 Ca 0.08 -2.01 0.17 0.00 0.00 0.00 0.00 46.02 44.26 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 1.07 -2.96 4.61 0.00 -1.98 -3.44 119.26 116.57 1rgu h ALA 406 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1rgu h ALA 406 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1rgu h ALA 406 CO 0.00 -0.07 0.26 0.16 0.00 0.00 0.00 179.25 179.59 1rgu s ASP 407 N -4.61 -0.20 0.62 0.00 -4.77 -1.26 -4.95 116.67 101.51 1rgu s ASP 407 Ca -0.04 -0.71 0.32 0.00 -3.30 0.00 0.00 52.55 48.82 1rgu s ASP 407 Cb 0.10 0.74 1.74 0.00 -1.09 0.00 0.00 42.92 44.41 1rgu s ASP 407 CO 0.31 -1.39 1.97 1.05 0.70 0.00 0.00 175.17 177.81 1rgu h GLU 408 N 2.00 0.00 -0.01 2.11 4.11 -1.93 -2.50 114.58 118.37 1rgu h GLU 408 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1rgu h GLU 408 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1rgu h GLU 408 CO 0.27 0.00 -0.45 -1.13 0.07 0.00 0.00 179.01 177.77 1rgu n SER 409 N -2.83 1.34 0.09 3.06 3.41 -1.26 -0.69 113.62 116.74 1rgu n SER 409 Ca -0.02 -1.07 -0.06 0.00 -0.26 0.00 0.00 58.87 57.46 1rgu n SER 409 Cb 0.27 0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 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 1.41 0.05 0.00 4.33 1.79 -1.74 -3.41 116.57 119.00 1rgu h LYS 410 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1rgu h LYS 410 Cb 0.60 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1rgu h LYS 410 CO 0.00 0.89 0.00 1.87 -1.08 0.00 0.00 179.45 181.13 1rgu n TRP 411 N -3.55 -2.32 0.27 -1.35 -0.00 -1.26 -4.82 117.44 104.42 1rgu n TRP 411 Ca -0.01 0.13 -0.15 0.00 -0.00 0.00 0.00 57.50 57.47 1rgu n TRP 411 Cb 0.83 0.77 -0.08 0.00 -0.00 0.00 0.00 31.31 32.83 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 -1.08 0.00 5.87 5.85 -1.80 -1.37 115.31 122.77 1rgu h LEU 412 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1rgu h LEU 412 Cb 0.00 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1rgu h LEU 412 CO 0.00 -0.56 -0.26 0.00 -0.34 0.00 0.00 178.44 177.28 1rgu n SER 414 N -2.23 0.00 0.08 0.00 3.41 -1.15 -4.21 113.62 109.51 1rgu n SER 414 Ca 0.05 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.44 1rgu n SER 414 Cb 0.44 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.38 0.49 4.33 4.11 -1.74 -3.01 114.58 119.14 1rgu h GLU 415 Ca 0.00 -0.65 -0.02 0.00 0.07 0.00 0.00 59.36 58.76 1rgu h GLU 415 Cb 0.00 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1rgu h GLU 415 CO 0.00 1.31 -0.24 0.35 0.07 0.00 0.00 179.01 180.50 1rgu h PHE 416 N -0.18 -0.62 -0.26 2.06 3.57 -1.35 -1.81 116.94 118.34 1rgu h PHE 416 Ca -0.20 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.22 1rgu h PHE 416 Cb 1.84 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.77 1rgu h PHE 416 CO 0.17 -0.33 -0.13 -0.22 -2.23 0.00 0.00 178.31 175.57 1rgu h LYS 417 N -0.78 0.44 -0.53 1.11 3.64 -0.86 -2.56 116.57 117.03 1rgu h LYS 417 Ca -0.07 -0.12 0.07 0.00 -1.27 0.00 0.00 60.65 59.26 1rgu h LYS 417 Cb 0.56 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 1rgu h LYS 417 CO 0.11 0.57 0.21 0.93 -2.27 0.00 0.00 179.45 179.00 1rgu h GLU 418 N 0.41 0.39 -0.36 1.90 4.39 -1.37 0.36 114.58 120.30 1rgu h GLU 418 Ca 0.08 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1rgu h GLU 418 Cb 0.48 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1rgu h GLU 418 CO 0.03 0.26 0.17 0.77 -1.16 0.00 0.00 179.01 179.07 1rgu h SER 419 N 0.40 0.48 0.50 1.42 0.02 -1.05 -3.07 113.55 112.26 1rgu h SER 419 Ca 0.26 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1rgu h SER 419 Cb 0.27 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1rgu h SER 419 CO -0.24 0.49 -0.36 0.24 -1.14 0.00 0.00 176.83 175.82 1rgu h MET 420 N 0.45 0.00 -0.06 3.45 2.86 -0.94 -2.70 114.93 117.99 1rgu h MET 420 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1rgu h MET 420 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1rgu h MET 420 CO -0.01 0.36 0.00 1.47 1.06 0.00 0.00 176.91 179.78 1rgu n LEU 421 N -3.87 1.74 -4.77 1.22 -0.00 0.04 -4.92 117.00 106.44 1rgu n LEU 421 Ca -0.01 -0.62 -0.41 0.00 -0.00 0.00 0.00 56.01 54.97 1rgu n LEU 421 Cb 0.42 -0.03 -0.01 0.00 -0.00 0.00 0.00 43.42 43.80 1rgu n LEU 421 CO 0.37 0.31 1.08 -0.89 -0.00 0.00 0.00 177.39 178.26 1rgu s THR 422 N -1.94 2.32 -0.29 1.47 2.01 -1.02 -5.02 115.64 113.17 1rgu s THR 422 Ca 0.36 0.32 -0.07 0.00 0.31 0.00 0.00 61.69 62.60 1rgu s THR 422 Cb 0.20 -3.20 0.14 0.00 0.01 0.00 0.00 72.50 69.65 1rgu s THR 422 CO 0.32 0.07 0.62 -0.76 -0.69 0.00 0.00 174.62 174.18 1rgu s LEU 423 N -1.89 -1.17 0.00 4.42 1.43 -1.26 -4.73 118.68 115.48 1rgu s LEU 423 Ca 0.52 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 1rgu s LEU 423 Cb -0.44 2.19 0.00 0.00 0.03 0.00 0.00 46.19 47.97 1rgu s LEU 423 CO 0.58 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.54 1rgu n GLY 424 N 5.44 0.26 0.00 -3.19 0.00 -0.74 -4.12 105.19 102.84 1rgu n GLY 424 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1rgu n GLY 424 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rgu n VAL 435 N 0.00 0.00 -2.27 1.61 0.31 -1.26 -4.54 118.33 112.18 1rgu n VAL 435 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1rgu n VAL 435 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1rgu n VAL 435 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1rgu s PRO 436 N -1.11 4.44 -0.27 5.55 0.02 -1.26 -4.91 135.00 137.45 1rgu s PRO 436 Ca 0.00 2.01 -0.03 0.00 0.02 0.00 0.00 61.00 62.99 1rgu s PRO 436 Cb 0.00 -3.18 0.02 0.00 0.02 0.00 0.00 34.50 31.36 1rgu s PRO 436 CO 0.00 -0.15 -0.01 -1.17 -0.33 0.00 0.00 177.00 175.35 1rgu s LEU 437 N -0.57 3.49 -0.25 -5.54 2.96 -1.26 -1.47 118.68 116.04 1rgu s LEU 437 Ca 0.53 -0.85 -0.10 0.00 -0.22 0.00 0.00 54.13 53.49 1rgu s LEU 437 Cb -0.36 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 1rgu s LEU 437 CO 0.41 -0.16 0.15 -0.31 -1.32 0.00 0.00 176.35 175.11 1rgu s TYR 438 N 1.38 3.26 -0.20 5.38 1.51 -0.57 -4.90 117.35 123.20 1rgu s TYR 438 Ca 0.00 0.11 -0.04 0.00 -1.01 0.00 0.00 57.07 56.13 1rgu s TYR 438 Cb -0.17 -2.28 -0.02 0.00 -0.11 0.00 0.00 41.96 39.38 1rgu s TYR 438 CO -0.02 -0.04 -0.03 -0.51 -1.11 0.00 0.00 175.55 173.85 1rgu s LEU 439 N 1.26 3.06 -0.25 -1.29 1.43 -0.83 -0.77 118.68 121.29 1rgu s LEU 439 Ca 0.07 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1rgu s LEU 439 Cb -0.14 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1rgu s LEU 439 CO 0.06 0.04 0.10 -0.63 0.23 0.00 0.00 176.35 176.14 1rgu s ILE 440 N 1.14 4.60 -0.19 -0.59 1.01 0.79 0.76 121.20 128.71 1rgu s ILE 440 Ca 0.02 -0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.49 1rgu s ILE 440 Cb -0.15 -3.15 0.07 0.00 0.01 0.00 0.00 42.46 39.24 1rgu s ILE 440 CO 0.00 0.33 0.47 -0.47 0.00 0.00 0.00 174.94 175.27 1rgu s TYR 441 N 1.51 -0.72 0.29 3.97 6.14 -0.66 -3.03 117.35 124.85 1rgu s TYR 441 Ca 0.06 1.48 -0.30 0.00 0.64 0.00 0.00 57.07 58.96 1rgu s TYR 441 Cb -0.15 0.35 -0.13 0.00 0.42 0.00 0.00 41.96 42.45 1rgu s TYR 441 CO 0.05 -0.39 1.39 -2.30 0.64 0.00 0.00 175.55 174.94 1rgu n PRO 442 N 4.38 2.20 -2.16 4.97 -0.02 -1.26 -4.37 135.00 138.74 1rgu n PRO 442 Ca -0.21 0.78 -0.26 0.00 -2.02 0.00 0.00 63.50 61.78 1rgu n PRO 442 Cb 0.55 -2.43 0.07 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.06 4.73 0.22 2.55 1.04 -1.26 -1.48 113.70 119.56 1rgu s SER 443 Ca 0.62 0.48 -0.09 0.00 0.48 0.00 0.00 55.95 57.44 1rgu s SER 443 Cb -0.59 -1.09 0.22 0.00 0.10 0.00 0.00 66.02 64.66 1rgu s SER 443 CO 0.55 -1.67 1.86 0.58 0.98 0.00 0.00 173.24 175.55 1rgu h VAL 444 N -0.68 1.12 -0.80 5.02 2.07 -0.93 -2.52 116.25 119.53 1rgu h VAL 444 Ca -0.44 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1rgu h VAL 444 Cb 1.32 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1rgu h VAL 444 CO 0.60 0.18 0.51 -0.33 0.02 0.00 0.00 177.57 178.55 1rgu h GLU 445 N 0.96 1.06 -0.27 1.57 4.39 -1.94 0.13 114.58 120.48 1rgu h GLU 445 Ca 0.31 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.99 1rgu h GLU 445 Cb 0.01 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 28.37 1rgu h GLU 445 CO -0.11 0.71 -0.06 -0.91 -1.16 0.00 0.00 179.01 177.48 1rgu h ASN 446 N 1.08 -0.24 -0.20 1.42 -0.26 -1.83 -2.22 115.58 113.33 1rgu h ASN 446 Ca 0.29 0.08 -0.03 0.00 -0.56 0.00 0.00 56.30 56.08 1rgu h ASN 446 Cb -0.10 0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 1rgu h ASN 446 CO -0.06 -0.09 0.00 0.58 -1.06 0.00 0.00 177.43 176.80 1rgu h VAL 447 N 0.00 1.25 -0.94 2.81 2.07 -1.19 -2.99 116.25 117.26 1rgu h VAL 447 Ca 0.13 -0.87 0.09 0.00 0.82 0.00 0.00 66.70 66.87 1rgu h VAL 447 Cb 0.20 1.44 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 1rgu h VAL 447 CO -0.27 0.26 0.59 -0.09 0.02 0.00 0.00 177.57 178.08 1rgu h ARG 448 N 0.10 0.97 -0.64 1.57 2.43 -0.60 -1.87 114.38 116.34 1rgu h ARG 448 Ca 0.06 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1rgu h ARG 448 Cb 0.39 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1rgu h ARG 448 CO 0.01 0.64 0.00 0.25 -1.51 0.00 0.00 179.97 179.36 1rgu n THR 449 N -4.61 1.78 -1.85 0.20 -2.24 -0.85 -2.14 114.28 104.56 1rgu n THR 449 Ca 0.16 -1.08 -0.29 0.00 -2.27 0.00 0.00 64.05 60.56 1rgu n THR 449 Cb 0.26 0.01 0.13 0.00 -2.10 0.00 0.00 70.33 68.63 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 -0.82 3.88 0.41 3.42 1.04 -0.70 -4.87 113.70 116.06 1rgu s SER 450 Ca 0.46 0.63 0.08 0.00 0.48 0.00 0.00 55.95 57.61 1rgu s SER 450 Cb 0.31 -0.98 0.87 0.00 0.10 0.00 0.00 66.02 66.32 1rgu s SER 450 CO 0.21 -2.29 2.03 -0.07 0.98 0.00 0.00 173.24 174.10 1rgu h LEU 451 N -1.32 0.48 0.00 2.42 3.38 -1.26 -2.82 115.31 116.18 1rgu h LEU 451 Ca -0.46 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.34 1rgu h LEU 451 Cb 1.30 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1rgu h LEU 451 CO 0.56 0.33 -1.26 -0.33 0.09 0.00 0.00 178.44 177.83 1rgu h GLU 452 N 0.56 0.00 0.00 1.13 5.08 -1.88 -3.48 114.58 115.98 1rgu h GLU 452 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1rgu h GLU 452 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1rgu h GLU 452 CO -0.05 0.35 0.00 0.41 -1.00 0.00 0.00 179.01 178.72 1rgu n GLY 453 N 1.37 -0.86 0.38 -3.84 0.00 -1.07 -4.19 105.19 96.98 1rgu n GLY 453 Ca -0.08 -1.18 0.16 0.00 0.00 0.00 0.00 46.02 44.92 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 0.82 0.00 1.61 0.05 -1.79 -0.51 116.97 117.15 1rgu h TYR 454 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1rgu h TYR 454 Cb 0.00 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.49 1rgu h TYR 454 CO 0.00 0.19 0.14 -1.35 -1.05 0.00 0.00 178.16 176.09 1rgu h PRO 455 N 0.59 0.00 0.00 4.88 0.11 -1.92 0.82 132.00 136.48 1rgu h PRO 455 Ca 0.54 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.64 1rgu h PRO 455 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1rgu h PRO 455 CO -0.29 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 177.47 1rgu h ALA 456 N 1.66 1.62 0.00 -0.75 0.00 -1.32 -1.28 119.26 119.19 1rgu h ALA 456 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rgu h ALA 456 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rgu h ALA 456 CO 0.00 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1rgu n GLY 457 N -1.27 -1.23 0.21 0.00 0.00 0.29 -1.77 105.19 101.43 1rgu n GLY 457 Ca -0.03 0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.22 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 2.14 0.00 -1.46 -0.02 0.00 -1.36 -2.79 103.07 99.58 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 -2.66 3.26 -3.41 0.19 7.64 -0.73 -4.61 113.62 113.31 1rgu n SER 459 Ca 0.01 -2.27 -0.26 0.00 1.01 0.00 0.00 58.87 57.36 1rgu n SER 459 Cb 0.23 -0.33 -0.08 0.00 -1.01 0.00 0.00 64.21 63.02 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 0.32 2.92 -2.34 -3.43 4.77 -1.05 -4.81 117.00 113.36 1rgu n LEU 460 Ca 0.15 -5.26 -0.20 0.00 -0.03 0.00 0.00 56.01 50.67 1rgu n LEU 460 Cb 0.56 -0.39 -0.13 0.00 -2.33 0.00 0.00 43.42 41.14 1rgu n LEU 460 CO 0.11 2.04 1.98 -0.81 -1.33 0.00 0.00 177.39 179.37 1rgu n PRO 461 N 1.07 2.45 -2.75 3.23 -0.04 -1.24 -4.17 135.00 133.54 1rgu n PRO 461 Ca 0.28 -1.44 -0.43 0.00 -0.04 0.00 0.00 63.50 61.86 1rgu n PRO 461 Cb 0.43 -2.19 -0.03 0.00 -0.04 0.00 0.00 33.50 31.67 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 0.87 3.05 0.18 0.54 5.04 -1.26 -4.73 117.35 121.04 1rgu s TYR 462 Ca 0.66 0.82 -0.03 0.00 -2.44 0.00 0.00 57.07 56.08 1rgu s TYR 462 Cb 0.30 -3.77 -0.05 0.00 0.35 0.00 0.00 41.96 38.78 1rgu s TYR 462 CO -0.04 -0.89 0.40 -1.54 -1.34 0.00 0.00 175.55 172.15 1rgu s SER 463 N 1.93 6.45 0.40 4.32 1.04 -1.26 -0.35 113.70 126.22 1rgu s SER 463 Ca 0.41 0.53 0.06 0.00 0.48 0.00 0.00 55.95 57.43 1rgu s SER 463 Cb -0.11 -2.07 0.81 0.00 0.10 0.00 0.00 66.02 64.75 1rgu s SER 463 CO 0.20 -0.01 2.05 -0.29 0.98 0.00 0.00 173.24 176.17 1rgu h ILE 464 N 1.78 1.12 -0.95 -1.02 6.09 -1.92 -1.18 117.51 121.42 1rgu h ILE 464 Ca -0.47 -0.22 0.08 0.00 -1.37 0.00 0.00 64.86 62.88 1rgu h ILE 464 Cb 1.18 0.45 -0.07 0.00 0.47 0.00 0.00 36.82 38.85 1rgu h ILE 464 CO 0.70 0.11 0.60 1.56 -3.07 0.00 0.00 178.15 178.06 1rgu h GLN 465 N 0.62 1.03 -0.00 2.19 7.50 -1.99 0.67 115.11 125.13 1rgu h GLN 465 Ca 0.17 -0.06 -0.06 0.00 0.50 0.00 0.00 58.65 59.19 1rgu h GLN 465 Cb -0.07 -0.23 0.00 0.00 0.05 0.00 0.00 27.48 27.23 1rgu h GLN 465 CO -0.04 0.68 -0.24 1.15 -1.50 0.00 0.00 178.83 178.89 1rgu h THR 466 N 1.06 1.55 -0.83 -0.54 2.02 -1.78 -3.32 112.91 111.09 1rgu h THR 466 Ca 0.43 -1.95 0.01 0.00 0.77 0.00 0.00 66.41 65.67 1rgu h THR 466 Cb 0.23 2.78 -0.04 0.00 -1.74 0.00 0.00 68.15 69.38 1rgu h THR 466 CO -0.19 0.53 0.54 0.00 0.37 0.00 0.00 175.52 176.77 1rgu h ALA 467 N 0.25 1.05 0.00 6.16 0.00 -0.91 -2.24 119.26 123.57 1rgu h ALA 467 Ca -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1rgu h ALA 467 Cb 1.00 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1rgu h ALA 467 CO 0.05 0.44 -0.06 1.05 0.00 0.00 0.00 179.25 180.72 1rgu h GLU 468 N 1.10 0.00 0.00 0.00 4.11 -1.00 -1.78 114.58 117.01 1rgu h GLU 468 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 1rgu h GLU 468 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1rgu h GLU 468 CO -0.07 0.06 0.00 1.63 0.07 0.00 0.00 179.01 180.69 1rgu n LYS 469 N -3.26 0.06 -2.59 1.06 5.02 -0.84 -4.26 118.16 113.35 1rgu n LYS 469 Ca -0.01 0.13 -0.02 0.00 -2.02 0.00 0.00 58.31 56.39 1rgu n LYS 469 Cb 0.26 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.46 1.34 0.09 1.97 10.64 -0.68 -4.58 117.38 124.70 1rgu n GLN 470 Ca 0.06 -1.71 0.20 0.00 -1.83 0.00 0.00 57.00 53.72 1rgu n GLN 470 Cb 0.23 -0.02 0.68 0.00 -0.86 0.00 0.00 30.24 30.27 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 1.29 0.00 -0.94 2.61 4.21 -1.71 0.20 115.58 121.25 1rgu h ASN 471 Ca -0.39 0.00 0.15 0.00 1.21 0.00 0.00 56.30 57.28 1rgu h ASN 471 Cb 1.31 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 38.42 1rgu h ASN 471 CO -0.11 0.00 0.54 4.11 -1.29 0.00 0.00 177.43 180.68 1rgu h TRP 472 N 0.00 0.96 -0.53 1.19 5.08 -1.91 -2.82 115.95 117.92 1rgu h TRP 472 Ca 0.21 0.03 0.07 0.00 1.08 0.00 0.00 58.89 60.28 1rgu h TRP 472 Cb 1.37 -0.29 -0.03 0.00 -3.00 0.00 0.00 29.16 27.22 1rgu h TRP 472 CO 0.00 0.27 0.35 1.25 -1.28 0.00 0.00 178.44 179.04 1rgu h LEU 473 N 0.77 0.40 0.00 0.11 5.85 -1.35 -2.87 115.31 118.22 1rgu h LEU 473 Ca 0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.23 1rgu h LEU 473 Cb 0.68 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1rgu h LEU 473 CO -0.34 0.26 0.00 1.41 -0.34 0.00 0.00 178.44 179.43 1rgu n HIS 474 N -4.47 0.00 0.24 1.25 -0.00 -1.07 -1.09 115.22 110.09 1rgu n HIS 474 Ca 0.07 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.89 1rgu n HIS 474 Cb 0.26 -0.48 0.63 0.00 -0.00 0.00 0.00 29.99 30.41 1rgu n HIS 474 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 1rgu h SER 475 N 0.00 0.00 0.56 0.41 0.02 -1.70 -2.65 113.55 110.19 1rgu h SER 475 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rgu h SER 475 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1rgu h SER 475 CO 0.00 0.17 -0.21 -1.22 -1.14 0.00 0.00 176.83 174.43 1rgu n TYR 476 N -3.79 0.00 -2.70 3.45 4.01 -0.25 -4.93 117.16 112.95 1rgu n TYR 476 Ca -0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.32 1rgu n TYR 476 Cb 0.27 -0.28 -0.05 0.00 -0.31 0.00 0.00 39.34 38.97 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 -2.77 3.88 0.15 -0.72 2.99 -1.00 -1.96 117.98 118.55 1rgu s PHE 477 Ca 0.19 1.85 0.08 0.00 0.00 0.00 0.00 56.93 59.05 1rgu s PHE 477 Cb 0.19 -3.05 -0.04 0.00 0.00 0.00 0.00 43.02 40.12 1rgu s PHE 477 CO 0.56 0.23 -0.17 -1.01 -0.00 0.00 0.00 175.22 174.82 1rgu s HIS 478 N -0.84 1.70 0.63 0.36 3.76 0.23 -2.74 115.29 118.39 1rgu s HIS 478 Ca 0.43 -0.49 -0.15 0.00 -0.15 0.00 0.00 55.06 54.70 1rgu s HIS 478 Cb -0.26 -0.86 -0.02 0.00 1.11 0.00 0.00 32.58 32.55 1rgu s HIS 478 CO 0.33 0.27 1.08 0.15 -0.85 0.00 0.00 174.74 175.72 1rgu s LYS 479 N -2.70 3.03 -0.05 1.40 1.02 0.10 -1.66 119.74 120.88 1rgu s LYS 479 Ca 0.13 1.28 -0.30 0.00 0.02 0.00 0.00 55.97 57.10 1rgu s LYS 479 Cb -0.06 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.23 1rgu s LYS 479 CO 0.05 -1.05 1.27 -0.46 -0.92 0.00 0.00 175.35 174.25 1rgu s TRP 480 N -2.44 3.03 -0.14 3.18 -0.11 -1.26 -4.52 118.94 116.68 1rgu s TRP 480 Ca 0.65 1.06 -0.06 0.00 1.22 0.00 0.00 56.10 58.97 1rgu s TRP 480 Cb -0.18 -3.51 0.06 0.00 -1.50 0.00 0.00 33.47 28.34 1rgu s TRP 480 CO 0.40 -1.73 0.30 0.45 -4.62 0.00 0.00 176.95 171.76 1rgu s SER 481 N 1.69 -0.02 -0.31 5.86 0.15 -1.26 -4.96 113.70 114.85 1rgu s SER 481 Ca 0.58 0.68 0.18 0.00 0.70 0.00 0.00 55.95 58.09 1rgu s SER 481 Cb -0.26 0.73 0.46 0.00 -1.71 0.00 0.00 66.02 65.24 1rgu s SER 481 CO 0.22 -0.21 1.09 0.00 1.20 0.00 0.00 173.24 175.54 1rgu n ALA 482 N 4.91 2.87 -0.30 5.45 0.00 -1.26 -0.56 120.51 131.62 1rgu n ALA 482 Ca -0.14 -2.64 0.04 0.00 0.00 0.00 0.00 53.44 50.70 1rgu n ALA 482 Cb 0.51 -0.92 0.25 0.00 0.00 0.00 0.00 19.45 19.29 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 2.61 0.97 -1.01 0.00 4.39 -1.91 0.04 114.58 119.67 1rgu h GLU 483 Ca -0.16 -0.06 0.26 0.00 0.34 0.00 0.00 59.36 59.74 1rgu h GLU 483 Cb 1.23 -0.22 -0.08 0.00 -0.10 0.00 0.00 28.75 29.58 1rgu h GLU 483 CO 0.28 0.64 0.67 0.00 -1.16 0.00 0.00 179.01 179.44 1rgu h THR 484 N 1.00 0.56 -0.23 1.13 1.03 -1.88 -1.08 112.91 113.43 1rgu h THR 484 Ca 0.39 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 66.67 1rgu h THR 484 Cb 0.23 0.18 0.00 0.00 -1.07 0.00 0.00 68.15 67.48 1rgu h THR 484 CO -0.15 0.06 0.00 -1.54 -0.01 0.00 0.00 175.52 173.88 1rgu n SER 485 N -4.54 2.62 -1.26 0.00 3.41 -0.58 -2.94 113.62 110.33 1rgu n SER 485 Ca 0.23 -1.98 -0.11 0.00 -0.26 0.00 0.00 58.87 56.75 1rgu n SER 485 Cb 0.86 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.65 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 0.20 -0.01 0.48 5.00 0.00 -0.41 -4.89 105.19 105.56 1rgu n GLY 486 Ca 0.08 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.12 0.87 0.30 1.61 1.74 -0.12 -4.72 116.66 114.22 1rgu n ARG 487 Ca -0.13 -2.29 0.16 0.00 -0.77 0.00 0.00 57.85 54.82 1rgu n ARG 487 Cb 0.59 -1.09 0.96 0.00 -1.02 0.00 0.00 32.46 31.90 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 0.36 0.00 -0.06 0.55 0.02 -1.92 -0.99 113.55 111.51 1rgu h SER 488 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1rgu h SER 488 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1rgu h SER 488 CO 0.01 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.30 1rgu n ASN 489 N -3.73 2.98 -4.29 3.07 3.02 -1.26 -4.77 115.26 110.28 1rgu n ASN 489 Ca -0.03 -1.97 -0.45 0.00 -0.03 0.00 0.00 54.58 52.10 1rgu n ASN 489 Cb 0.08 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.18 1rgu n ASN 489 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rgu s ALA 490 N -1.90 3.66 0.39 5.41 0.00 -0.38 -0.75 121.76 128.19 1rgu s ALA 490 Ca 0.28 -2.68 -0.27 0.00 0.00 0.00 0.00 51.96 49.29 1rgu s ALA 490 Cb 0.20 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 20.01 1rgu s ALA 490 CO 0.29 -2.04 1.42 -1.33 0.00 0.00 0.00 175.76 174.11 1rgu n MET 491 N 4.94 2.44 -2.28 0.00 2.81 -1.25 -3.27 117.12 120.52 1rgu n MET 491 Ca -0.08 0.86 -0.42 0.00 -1.81 0.00 0.00 57.70 56.25 1rgu n MET 491 Cb 0.41 -2.57 -0.03 0.00 -0.71 0.00 0.00 33.22 30.32 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 -2.12 4.34 0.00 0.03 0.04 -1.26 -1.13 135.00 134.89 1rgu s PRO 492 Ca 0.55 1.92 0.03 0.00 0.04 0.00 0.00 61.00 63.55 1rgu s PRO 492 Cb -0.49 -3.41 -0.01 0.00 0.04 0.00 0.00 34.50 30.62 1rgu s PRO 492 CO 0.62 -0.44 0.30 1.58 0.04 0.00 0.00 177.00 179.10 1rgu n HIS 493 N 4.54 0.00 -1.25 0.56 -0.00 -0.16 -4.67 115.22 114.23 1rgu n HIS 493 Ca 0.11 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.96 1rgu n HIS 493 Cb 0.44 0.00 0.11 0.00 -0.12 0.00 0.00 29.99 30.42 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 -0.96 2.29 -0.05 3.57 2.07 -0.60 -4.81 121.20 122.71 1rgu s ILE 494 Ca 0.02 0.13 0.02 0.00 -1.41 0.00 0.00 60.65 59.41 1rgu s ILE 494 Cb 0.03 -2.58 0.01 0.00 0.13 0.00 0.00 42.46 40.05 1rgu s ILE 494 CO 0.10 -0.09 -0.08 -0.54 -1.91 0.00 0.00 174.94 172.42 1rgu s LYS 495 N -4.12 1.14 0.02 3.50 3.01 -1.25 -4.40 119.74 117.63 1rgu s LYS 495 Ca 0.72 -0.26 -0.03 0.00 -1.01 0.00 0.00 55.97 55.39 1rgu s LYS 495 Cb -0.27 -1.03 -0.01 0.00 -1.01 0.00 0.00 37.83 35.50 1rgu s LYS 495 CO 0.49 0.01 0.04 0.95 0.51 0.00 0.00 175.35 177.35 1rgu s THR 496 N 0.63 0.11 0.01 2.17 -4.23 -0.04 -1.89 115.64 112.40 1rgu s THR 496 Ca -0.10 -0.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 1rgu s THR 496 Cb -0.13 -0.42 -0.01 0.00 1.34 0.00 0.00 72.50 73.28 1rgu s THR 496 CO 0.01 -0.48 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.27 1rgu s TYR 497 N -1.61 0.29 0.26 3.99 2.02 -0.57 -0.93 117.35 120.81 1rgu s TYR 497 Ca -0.14 -0.23 -0.22 0.00 -0.37 0.00 0.00 57.07 56.12 1rgu s TYR 497 Cb -0.08 -0.19 0.03 0.00 -0.40 0.00 0.00 41.96 41.32 1rgu s TYR 497 CO -0.01 -0.06 0.76 0.00 -1.57 0.00 0.00 175.55 174.67 1rgu s MET 498 N -0.63 1.69 -0.47 -0.62 0.23 -0.41 -0.66 119.30 118.43 1rgu s MET 498 Ca -0.05 -0.93 0.03 0.00 -1.03 0.00 0.00 55.69 53.71 1rgu s MET 498 Cb -0.04 0.58 0.16 0.00 -1.53 0.00 0.00 34.83 33.99 1rgu s MET 498 CO -0.00 -0.77 0.32 0.50 -2.03 0.00 0.00 175.02 173.04 1rgu s ARG 499 N -3.81 1.26 0.54 3.16 6.06 -1.14 -0.72 118.95 124.29 1rgu s ARG 499 Ca 0.11 -2.19 -0.13 0.00 -2.50 0.00 0.00 55.73 51.02 1rgu s ARG 499 Cb -0.05 -2.05 -0.06 0.00 0.06 0.00 0.00 34.95 32.85 1rgu s ARG 499 CO 0.06 -1.28 0.96 -1.25 -2.50 0.00 0.00 175.30 171.29 1rgu s PRO 500 N 0.01 3.78 0.92 5.12 0.05 -1.23 0.50 135.00 144.16 1rgu s PRO 500 Ca 0.25 0.77 -0.12 0.00 0.05 0.00 0.00 61.00 61.95 1rgu s PRO 500 Cb -0.10 -2.16 0.14 0.00 0.05 0.00 0.00 34.50 32.43 1rgu s PRO 500 CO -0.10 -0.34 1.09 -1.54 0.05 0.00 0.00 177.00 176.16 1rgu s SER 501 N -3.53 3.28 0.59 6.66 1.04 0.11 -3.15 113.70 118.69 1rgu s SER 501 Ca 0.56 1.40 0.28 0.00 0.48 0.00 0.00 55.95 58.67 1rgu s SER 501 Cb -0.10 -2.07 1.61 0.00 0.10 0.00 0.00 66.02 65.55 1rgu s SER 501 CO 0.40 -2.75 2.06 -0.65 0.98 0.00 0.00 173.24 173.28 1rgu h PRO 502 N -1.63 0.00 -0.44 4.02 0.11 -1.91 0.74 132.00 132.90 1rgu h PRO 502 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1rgu h PRO 502 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1rgu h PRO 502 CO 0.56 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 1rgu n ASP 503 N -3.82 3.48 -0.63 -2.05 5.75 -1.26 -4.97 116.55 113.04 1rgu n ASP 503 Ca 0.03 -1.97 -0.08 0.00 -0.01 0.00 0.00 54.79 52.75 1rgu n ASP 503 Cb 0.39 -0.28 -0.04 0.00 -1.03 0.00 0.00 41.12 40.16 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 1.43 0.00 0.21 2.11 3.01 0.25 -4.85 117.46 119.62 1rgu n PHE 504 Ca 0.19 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.77 1rgu n PHE 504 Cb 0.59 -2.01 0.07 0.00 -0.01 0.00 0.00 39.48 38.12 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 -5.46 4.37 4.64 -1.93 -3.45 113.55 111.71 1rgu h SER 505 Ca -0.17 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 60.94 1rgu h SER 505 Cb 0.81 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.76 1rgu h SER 505 CO 0.25 0.01 -0.47 -1.59 -0.87 0.00 0.00 176.83 174.16 1rgu s LYS 506 N -3.29 1.26 0.03 4.77 -2.85 -1.26 -0.79 119.74 117.60 1rgu s LYS 506 Ca 0.03 -1.49 0.02 0.00 -1.00 0.00 0.00 55.97 53.53 1rgu s LYS 506 Cb 0.09 0.33 -0.02 0.00 -2.06 0.00 0.00 37.83 36.17 1rgu s LYS 506 CO 0.75 -0.45 -0.07 0.96 0.10 0.00 0.00 175.35 176.64 1rgu s ILE 507 N -4.10 0.54 -0.35 3.79 -4.36 -0.10 0.08 121.20 116.71 1rgu s ILE 507 Ca 0.32 -0.79 0.21 0.00 -0.26 0.00 0.00 60.65 60.13 1rgu s ILE 507 Cb 0.05 -0.56 0.26 0.00 1.25 0.00 0.00 42.46 43.47 1rgu s ILE 507 CO 0.10 -0.19 1.57 0.00 0.24 0.00 0.00 174.94 176.66 1rgu h ALA 508 N 5.03 0.91 -1.46 2.27 0.00 -0.27 -1.40 119.26 124.34 1rgu h ALA 508 Ca -0.33 -0.13 0.28 0.00 0.00 0.00 0.00 54.91 54.73 1rgu h ALA 508 Cb 1.20 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 1rgu h ALA 508 CO 0.44 0.17 0.82 1.67 0.00 0.00 0.00 179.25 182.35 1rgu s TRP 509 N -3.15 -0.09 -0.03 0.00 1.48 -1.26 -4.39 118.94 111.50 1rgu s TRP 509 Ca 0.06 0.02 -0.03 0.00 -1.06 0.00 0.00 56.10 55.09 1rgu s TRP 509 Cb 0.06 0.53 0.01 0.00 -1.16 0.00 0.00 33.47 32.90 1rgu s TRP 509 CO 0.69 -0.23 0.08 0.12 -4.06 0.00 0.00 176.95 173.55 1rgu s PHE 510 N -2.42 -0.08 -0.08 1.66 5.36 -0.92 -2.88 117.98 118.61 1rgu s PHE 510 Ca 0.11 0.20 0.01 0.00 -0.96 0.00 0.00 56.93 56.30 1rgu s PHE 510 Cb 0.01 0.02 0.02 0.00 -0.34 0.00 0.00 43.02 42.74 1rgu s PHE 510 CO -0.04 -0.05 -0.10 -1.17 -1.46 0.00 0.00 175.22 172.39 1rgu s LEU 511 N -0.03 1.48 -0.10 6.12 2.96 0.16 0.28 118.68 129.55 1rgu s LEU 511 Ca -0.01 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1rgu s LEU 511 Cb -0.01 -0.82 -0.02 0.00 0.50 0.00 0.00 46.19 45.84 1rgu s LEU 511 CO 0.00 -0.02 -0.09 0.54 -1.32 0.00 0.00 176.35 175.46 1rgu s VAL 512 N 1.03 3.46 0.27 1.68 0.11 -0.95 -1.51 120.40 124.49 1rgu s VAL 512 Ca -0.08 -0.54 -0.18 0.00 -2.93 0.00 0.00 61.98 58.25 1rgu s VAL 512 Cb -0.15 -2.44 0.01 0.00 -1.53 0.00 0.00 36.38 32.28 1rgu s VAL 512 CO -0.01 0.55 0.63 0.28 -3.33 0.00 0.00 175.10 173.23 1rgu s THR 513 N -0.20 0.00 -0.99 5.04 -1.32 -0.79 -1.13 115.64 116.26 1rgu s THR 513 Ca 0.02 -1.15 0.26 0.00 -1.21 0.00 0.00 61.69 59.61 1rgu s THR 513 Cb -0.13 -2.07 0.09 0.00 -1.51 0.00 0.00 72.50 68.87 1rgu s THR 513 CO 0.03 0.00 1.59 -1.54 -2.21 0.00 0.00 174.62 172.49 1rgu n SER 514 N -0.43 0.34 -4.63 8.08 3.41 -0.85 -3.80 113.62 115.74 1rgu n SER 514 Ca -0.03 0.02 -0.43 0.00 -0.26 0.00 0.00 58.87 58.17 1rgu n SER 514 Cb 0.60 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 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 -3.00 3.27 0.93 7.33 0.00 -1.26 -4.95 121.76 124.07 1rgu s ALA 515 Ca 0.12 0.26 -0.07 0.00 0.00 0.00 0.00 51.96 52.27 1rgu s ALA 515 Cb 0.18 -3.84 0.10 0.00 0.00 0.00 0.00 23.12 19.57 1rgu s ALA 515 CO 0.64 -1.95 0.62 0.09 0.00 0.00 0.00 175.76 175.16 1rgu n ASN 516 N 8.23 0.15 -4.46 0.00 3.02 -1.26 -4.85 115.26 116.09 1rgu n ASN 516 Ca 0.17 -1.28 -0.44 0.00 -0.03 0.00 0.00 54.58 53.00 1rgu n ASN 516 Cb 0.46 -0.46 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1rgu n ASN 516 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1rgu s LEU 517 N 0.00 5.13 0.02 3.41 2.96 -0.93 -4.74 118.68 124.53 1rgu s LEU 517 Ca 0.36 -3.00 -0.09 0.00 -0.22 0.00 0.00 54.13 51.18 1rgu s LEU 517 Cb -0.01 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.29 1rgu s LEU 517 CO 0.25 -0.73 0.18 -0.94 -1.32 0.00 0.00 176.35 173.79 1rgu s SER 518 N 2.76 0.02 0.33 3.68 1.04 -1.26 -0.35 113.70 119.92 1rgu s SER 518 Ca 0.42 -0.29 0.11 0.00 0.48 0.00 0.00 55.95 56.66 1rgu s SER 518 Cb -0.03 0.26 0.57 0.00 0.10 0.00 0.00 66.02 66.92 1rgu s SER 518 CO -0.01 -0.49 1.75 0.11 0.98 0.00 0.00 173.24 175.58 1rgu h LYS 519 N 3.75 0.05 -0.79 4.02 1.57 -1.87 -1.84 116.57 121.46 1rgu h LYS 519 Ca -0.32 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1rgu h LYS 519 Cb 1.19 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.43 1rgu h LYS 519 CO 0.45 0.48 0.45 0.00 -0.57 0.00 0.00 179.45 180.27 1rgu h ALA 520 N 1.51 1.11 0.21 3.86 0.00 -1.90 0.05 119.26 124.10 1rgu h ALA 520 Ca 0.00 0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.59 1rgu h ALA 520 Cb 0.80 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.47 1rgu h ALA 520 CO 0.06 0.11 -1.61 0.00 0.00 0.00 0.00 179.25 177.80 1rgu h ALA 521 N 1.42 0.03 0.00 0.00 0.00 -1.83 -1.68 119.26 117.20 1rgu h ALA 521 Ca 0.37 -1.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.11 1rgu h ALA 521 Cb 0.30 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1rgu h ALA 521 CO -0.22 0.89 -1.98 0.91 0.00 0.00 0.00 179.25 178.85 1rgu n TRP 522 N -3.63 0.23 0.00 0.00 7.02 -0.71 -4.80 117.44 115.54 1rgu n TRP 522 Ca -0.20 0.07 0.00 0.00 -1.02 0.00 0.00 57.50 56.35 1rgu n TRP 522 Cb 1.09 -0.80 0.00 0.00 -2.42 0.00 0.00 31.31 29.17 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 1.45 2.66 3.09 6.99 0.00 -0.00 -1.12 105.19 118.26 1rgu n GLY 523 Ca -0.15 -1.59 -0.20 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.17 1.02 0.21 4.61 0.00 -0.23 -4.81 121.76 121.40 1rgu s ALA 524 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 1rgu s ALA 524 Cb 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 23.12 22.81 1rgu s ALA 524 CO 0.00 0.23 1.13 -0.51 0.00 0.00 0.00 175.76 176.61 1rgu s LEU 525 N -0.51 4.50 0.46 0.00 1.43 -1.26 -0.20 118.68 123.09 1rgu s LEU 525 Ca 0.04 2.19 0.03 0.00 -1.03 0.00 0.00 54.13 55.36 1rgu s LEU 525 Cb -0.05 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1rgu s LEU 525 CO -0.00 -0.25 0.10 -1.61 0.23 0.00 0.00 176.35 174.82 1rgu s GLU 526 N -0.67 2.09 -0.93 1.70 2.02 0.14 -4.80 118.70 118.26 1rgu s GLU 526 Ca 0.49 -2.32 -0.10 0.00 0.02 0.00 0.00 54.97 53.06 1rgu s GLU 526 Cb -0.31 -0.87 0.01 0.00 0.10 0.00 0.00 34.13 33.06 1rgu s GLU 526 CO 0.37 -0.50 0.61 1.63 0.02 0.00 0.00 175.26 177.39 1rgu n LYS 527 N -1.09 -1.15 -1.51 1.61 5.02 -1.26 -0.12 118.16 119.66 1rgu n LYS 527 Ca -0.12 0.54 -0.18 0.00 -2.02 0.00 0.00 58.31 56.53 1rgu n LYS 527 Cb 0.65 -2.24 -0.08 0.00 -0.02 0.00 0.00 35.03 33.35 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 -2.46 -5.31 0.00 4.39 5.15 -1.26 -2.45 115.26 113.32 1rgu n ASN 528 Ca -0.26 0.44 0.00 0.00 -0.60 0.00 0.00 54.58 54.15 1rgu n ASN 528 Cb 0.65 -4.52 0.00 0.00 -0.53 0.00 0.00 39.78 35.39 1rgu n ASN 528 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rgu n GLY 529 N -0.22 0.61 0.19 8.20 0.00 0.83 -4.94 105.19 109.85 1rgu n GLY 529 Ca -0.18 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.16 0.00 -4.76 2.61 -2.24 -1.01 -4.91 114.28 100.81 1rgu n THR 530 Ca 0.00 -0.29 -0.25 0.00 -2.27 0.00 0.00 64.05 61.24 1rgu n THR 530 Cb 0.23 1.10 -0.16 0.00 -2.10 0.00 0.00 70.33 69.40 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 -1.91 1.68 -0.26 -0.78 0.74 -1.16 -3.95 119.66 114.02 1rgu s GLN 531 Ca 0.09 -0.56 -0.09 0.00 0.05 0.00 0.00 55.36 54.85 1rgu s GLN 531 Cb 0.11 -1.46 -0.03 0.00 1.10 0.00 0.00 33.01 32.72 1rgu s GLN 531 CO 0.42 0.21 0.12 -1.17 -0.55 0.00 0.00 175.29 174.32 1rgu s LEU 532 N 0.10 3.69 -0.33 3.68 2.96 0.31 0.26 118.68 129.36 1rgu s LEU 532 Ca -0.05 -0.16 -0.10 0.00 -0.22 0.00 0.00 54.13 53.61 1rgu s LEU 532 Cb -0.11 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.58 1rgu s LEU 532 CO 0.02 -0.05 0.16 -0.32 -1.32 0.00 0.00 176.35 174.84 1rgu s MET 533 N 1.67 3.18 -0.09 1.98 -2.45 0.71 -0.51 119.30 123.79 1rgu s MET 533 Ca 0.06 -0.83 -0.00 0.00 -1.25 0.00 0.00 55.69 53.68 1rgu s MET 533 Cb -0.16 -3.59 -0.03 0.00 1.25 0.00 0.00 34.83 32.30 1rgu s MET 533 CO 0.06 -0.49 -0.07 0.42 1.05 0.00 0.00 175.02 175.99 1rgu s ILE 534 N 1.59 3.67 -0.16 10.11 1.01 -0.37 -1.06 121.20 135.99 1rgu s ILE 534 Ca 0.04 -0.48 0.19 0.00 0.00 0.00 0.00 60.65 60.40 1rgu s ILE 534 Cb -0.18 -2.52 -0.11 0.00 0.01 0.00 0.00 42.46 39.66 1rgu s ILE 534 CO 0.06 0.57 0.85 0.54 0.00 0.00 0.00 174.94 176.96 1rgu n ARG 535 N 2.58 0.62 -4.31 2.79 1.74 -0.67 -1.59 116.66 117.83 1rgu n ARG 535 Ca -0.18 0.15 -0.16 0.00 -0.77 0.00 0.00 57.85 56.89 1rgu n ARG 535 Cb 0.53 -1.78 -0.10 0.00 -1.02 0.00 0.00 32.46 30.08 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 -5.53 1.72 -0.12 0.55 0.01 -1.01 -4.15 113.70 105.18 1rgu s SER 536 Ca -0.03 -1.19 -0.20 0.00 1.31 0.00 0.00 55.95 55.83 1rgu s SER 536 Cb 0.09 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 1rgu s SER 536 CO 0.81 -0.51 0.58 -0.31 0.41 0.00 0.00 173.24 174.23 1rgu s TYR 537 N -3.45 3.51 0.05 2.43 1.51 -0.76 -2.85 117.35 117.78 1rgu s TYR 537 Ca 0.27 1.01 -0.01 0.00 -1.01 0.00 0.00 57.07 57.33 1rgu s TYR 537 Cb 0.05 -2.69 -0.04 0.00 -0.11 0.00 0.00 41.96 39.18 1rgu s TYR 537 CO 0.07 0.07 -0.03 -1.21 -1.11 0.00 0.00 175.55 173.35 1rgu s GLU 538 N 0.94 0.58 -0.19 -0.62 0.41 -0.57 -1.50 118.70 117.75 1rgu s GLU 538 Ca 0.30 -1.15 -0.16 0.00 -0.41 0.00 0.00 54.97 53.56 1rgu s GLU 538 Cb -0.16 0.20 0.05 0.00 -1.78 0.00 0.00 34.13 32.44 1rgu s GLU 538 CO 0.13 -0.11 0.50 -1.17 -0.49 0.00 0.00 175.26 174.12 1rgu s LEU 539 N -2.75 -0.05 0.20 1.80 2.96 -1.26 -0.39 118.68 119.19 1rgu s LEU 539 Ca 0.04 1.03 -0.10 0.00 -0.22 0.00 0.00 54.13 54.89 1rgu s LEU 539 Cb 0.06 1.71 -0.01 0.00 0.50 0.00 0.00 46.19 48.44 1rgu s LEU 539 CO -0.09 -0.18 0.35 -0.83 -1.32 0.00 0.00 176.35 174.27 1rgu s GLY 540 N 0.63 0.62 -0.10 7.98 0.00 0.00 -2.00 107.32 114.45 1rgu s GLY 540 Ca -0.03 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.74 1rgu s GLY 540 CO -0.04 -0.81 -0.16 -1.34 0.00 0.00 0.00 173.10 170.75 1rgu s VAL 541 N -4.01 2.80 -0.22 1.40 -7.23 -0.28 -1.55 120.40 111.31 1rgu s VAL 541 Ca 0.22 -0.77 -0.09 0.00 -1.81 0.00 0.00 61.98 59.53 1rgu s VAL 541 Cb 0.02 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 1rgu s VAL 541 CO 0.05 0.55 0.11 -0.22 -0.31 0.00 0.00 175.10 175.28 1rgu s LEU 542 N 0.02 3.87 -0.33 1.32 2.96 0.55 -2.24 118.68 124.82 1rgu s LEU 542 Ca -0.05 0.03 -0.15 0.00 -0.22 0.00 0.00 54.13 53.74 1rgu s LEU 542 Cb -0.15 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1rgu s LEU 542 CO 0.05 0.08 0.34 -0.36 -1.32 0.00 0.00 176.35 175.14 1rgu s PHE 543 N 0.94 3.22 -0.14 5.38 0.40 0.14 -1.61 117.98 126.30 1rgu s PHE 543 Ca 0.05 0.03 -0.01 0.00 -0.60 0.00 0.00 56.93 56.41 1rgu s PHE 543 Cb -0.14 -2.62 -0.01 0.00 0.51 0.00 0.00 43.02 40.76 1rgu s PHE 543 CO 0.03 -0.38 -0.12 -0.51 0.70 0.00 0.00 175.22 174.94 1rgu s LEU 544 N 1.98 2.72 0.37 -0.37 1.43 -1.26 -2.17 118.68 121.38 1rgu s LEU 544 Ca 0.11 -0.35 0.12 0.00 -1.03 0.00 0.00 54.13 52.99 1rgu s LEU 544 Cb -0.16 -1.62 0.92 0.00 0.03 0.00 0.00 46.19 45.35 1rgu s LEU 544 CO 0.11 0.14 1.83 -0.65 0.23 0.00 0.00 176.35 178.01 1rgu h PRO 545 N 6.93 0.57 -0.14 1.29 0.11 -1.82 -1.06 132.00 137.88 1rgu h PRO 545 Ca -0.28 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.83 1rgu h PRO 545 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1rgu h PRO 545 CO 0.57 0.38 0.10 0.66 -0.21 0.00 0.00 178.00 179.49 1rgu h SER 546 N 0.59 0.00 0.79 -2.05 4.64 -1.71 0.30 113.55 116.10 1rgu h SER 546 Ca 0.50 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1rgu h SER 546 Cb 1.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1rgu h SER 546 CO -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.71 1rgu n ALA 547 N -2.57 1.83 0.39 5.18 0.00 -0.40 -1.21 120.51 123.74 1rgu n ALA 547 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1rgu n ALA 547 Cb 0.22 -1.36 0.08 0.00 0.00 0.00 0.00 19.45 18.39 1rgu n ALA 547 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rgu n LEU 548 N -1.90 2.30 0.00 0.00 4.77 0.38 -4.95 117.00 117.60 1rgu n LEU 548 Ca 0.04 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 1rgu n LEU 548 Cb 0.25 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1rgu n LEU 548 CO 0.20 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1rgu n GLY 549 N 0.73 0.40 3.83 -0.72 0.00 -0.26 -5.05 105.19 104.12 1rgu n GLY 549 Ca 0.09 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 2.70 -0.02 0.99 1.43 0.76 -4.94 118.68 119.61 1rgu s LEU 550 Ca 0.00 -1.31 0.14 0.00 -1.03 0.00 0.00 54.13 51.93 1rgu s LEU 550 Cb 0.00 -1.14 -0.21 0.00 0.03 0.00 0.00 46.19 44.87 1rgu s LEU 550 CO 0.00 -0.91 0.35 0.47 0.23 0.00 0.00 176.35 176.49 1rgu n ASP 551 N -1.52 1.62 -3.56 2.29 10.43 -1.26 -2.34 116.55 122.21 1rgu n ASP 551 Ca -0.06 -0.13 -0.07 0.00 2.57 0.00 0.00 54.79 57.10 1rgu n ASP 551 Cb 0.65 1.54 -0.02 0.00 1.84 0.00 0.00 41.12 45.13 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 -3.40 -0.31 -0.07 -2.24 1.04 -1.26 -4.86 113.70 102.60 1rgu s SER 552 Ca -0.04 -0.08 -0.01 0.00 0.48 0.00 0.00 55.95 56.31 1rgu s SER 552 Cb 0.09 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1rgu s SER 552 CO 0.58 -0.64 -0.01 -0.36 0.98 0.00 0.00 173.24 173.78 1rgu s PHE 553 N -3.10 3.11 0.37 5.02 2.99 -0.53 -4.92 117.98 120.93 1rgu s PHE 553 Ca 0.07 0.15 -0.25 0.00 0.00 0.00 0.00 56.93 56.89 1rgu s PHE 553 Cb -0.01 -1.76 -0.09 0.00 0.00 0.00 0.00 43.02 41.16 1rgu s PHE 553 CO -0.07 0.44 1.08 0.21 -0.00 0.00 0.00 175.22 176.89 1rgu s LYS 554 N -0.97 4.26 -0.11 0.44 2.20 -1.00 -0.92 119.74 123.64 1rgu s LYS 554 Ca 0.14 1.63 -0.29 0.00 -0.36 0.00 0.00 55.97 57.09 1rgu s LYS 554 Cb -0.11 -2.72 -0.01 0.00 -1.51 0.00 0.00 37.83 33.48 1rgu s LYS 554 CO 0.03 -0.09 1.00 0.08 -0.36 0.00 0.00 175.35 176.02 1rgu s VAL 555 N -1.50 4.79 -0.20 4.02 1.01 0.03 -0.34 120.40 128.21 1rgu s VAL 555 Ca 0.55 2.03 -0.29 0.00 0.00 0.00 0.00 61.98 64.26 1rgu s VAL 555 Cb -0.26 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.78 1rgu s VAL 555 CO 0.32 0.00 1.64 -0.75 0.00 0.00 0.00 175.10 176.32 1rgu s LYS 556 N 2.03 3.83 0.37 2.72 2.20 -0.02 -4.84 119.74 126.03 1rgu s LYS 556 Ca 0.48 1.74 0.20 0.00 -0.36 0.00 0.00 55.97 58.03 1rgu s LYS 556 Cb -0.18 -4.04 0.43 0.00 -1.51 0.00 0.00 37.83 32.53 1rgu s LYS 556 CO 0.18 -1.26 1.61 -0.56 -0.36 0.00 0.00 175.35 174.96 1rgu h GLN 557 N 10.68 0.00 -3.57 4.03 -0.00 -1.94 -3.40 115.11 120.91 1rgu h GLN 557 Ca -0.35 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 57.69 1rgu h GLN 557 Cb 1.16 0.00 -0.40 0.00 -0.00 0.00 0.00 27.48 28.24 1rgu h GLN 557 CO 0.99 0.32 -0.73 -1.59 -0.00 0.00 0.00 178.83 177.82 1rgu s LYS 558 N -3.25 1.19 -0.74 0.06 0.00 -1.26 -4.84 119.74 110.90 1rgu s LYS 558 Ca 0.03 -1.71 -0.37 0.00 0.00 0.00 0.00 55.97 53.92 1rgu s LYS 558 Cb 0.08 -2.49 -0.20 0.00 0.00 0.00 0.00 37.83 35.22 1rgu s LYS 558 CO 0.69 -1.05 2.42 0.34 0.00 0.00 0.00 175.35 177.75 1rgu n PHE 559 N 4.11 0.88 0.00 1.78 7.35 -1.15 -5.05 117.46 125.37 1rgu n PHE 559 Ca 0.04 0.57 0.00 0.00 -0.76 0.00 0.00 57.45 57.29 1rgu n PHE 559 Cb 0.38 -2.34 0.00 0.00 0.35 0.00 0.00 39.48 37.87 1rgu n PHE 559 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1rgu n ALA 568 N 9.08 0.00 -4.01 3.13 0.00 -1.26 -5.02 120.51 122.43 1rgu n ALA 568 Ca 0.60 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.73 1rgu n ALA 568 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.30 1rgu n ALA 568 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rgu s THR 569 N 0.00 1.71 -0.02 0.00 2.01 -1.26 -2.37 115.64 115.71 1rgu s THR 569 Ca 0.00 -1.08 -0.27 0.00 0.31 0.00 0.00 61.69 60.65 1rgu s THR 569 Cb 0.00 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1rgu s THR 569 CO 0.00 0.16 0.86 0.12 -0.69 0.00 0.00 174.62 175.06 1rgu s PHE 570 N 1.36 3.64 -1.30 4.92 5.36 0.54 -4.61 117.98 127.89 1rgu s PHE 570 Ca -0.02 1.51 -0.18 0.00 -0.96 0.00 0.00 56.93 57.29 1rgu s PHE 570 Cb -0.17 -2.98 0.03 0.00 -0.34 0.00 0.00 43.02 39.56 1rgu s PHE 570 CO -0.08 0.05 1.93 -0.35 -1.46 0.00 0.00 175.22 175.31 1rgu n PRO 571 N 3.76 2.79 -1.82 10.12 -0.04 -1.26 -0.84 135.00 147.72 1rgu n PRO 571 Ca 0.03 -2.88 -0.42 0.00 -0.04 0.00 0.00 63.50 60.19 1rgu n PRO 571 Cb 0.51 -3.42 -0.03 0.00 -0.04 0.00 0.00 33.50 30.52 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 4.71 2.94 -0.88 0.52 1.01 -1.26 -4.90 120.40 122.54 1rgu s VAL 572 Ca 0.54 0.28 0.27 0.00 0.00 0.00 0.00 61.98 63.06 1rgu s VAL 572 Cb 0.07 -3.18 0.21 0.00 0.00 0.00 0.00 36.38 33.49 1rgu s VAL 572 CO 0.04 -0.01 1.77 -0.81 0.00 0.00 0.00 175.10 176.08 1rgu n PRO 573 N 6.21 0.11 -4.50 2.72 -0.04 -1.26 -4.73 135.00 133.52 1rgu n PRO 573 Ca 0.17 0.08 -0.24 0.00 -0.04 0.00 0.00 63.50 63.48 1rgu n PRO 573 Cb 0.40 -1.61 -0.11 0.00 -0.04 0.00 0.00 33.50 32.14 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 -3.05 2.15 0.48 0.54 1.13 -1.26 -4.16 117.35 113.18 1rgu s TYR 574 Ca 0.12 -0.75 -0.22 0.00 -1.41 0.00 0.00 57.07 54.81 1rgu s TYR 574 Cb 0.16 -1.36 -0.07 0.00 -1.10 0.00 0.00 41.96 39.59 1rgu s TYR 574 CO 0.59 0.27 1.14 -0.51 -2.51 0.00 0.00 175.55 174.52 1rgu s ASP 575 N -3.54 6.12 0.06 -0.18 -0.00 0.28 -4.92 116.67 114.49 1rgu s ASP 575 Ca 0.33 2.22 0.05 0.00 -0.00 0.00 0.00 52.55 55.16 1rgu s ASP 575 Cb 0.07 -2.59 -0.03 0.00 -0.00 0.00 0.00 42.92 40.37 1rgu s ASP 575 CO 0.15 -0.95 -0.15 -0.76 -0.00 0.00 0.00 175.17 173.47 1rgu s LEU 576 N -3.22 2.24 0.94 1.23 1.43 -1.26 -4.00 118.68 116.03 1rgu s LEU 576 Ca 0.66 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 53.07 1rgu s LEU 576 Cb -0.26 -0.59 0.15 0.00 0.03 0.00 0.00 46.19 45.52 1rgu s LEU 576 CO 0.31 -0.02 1.10 -2.16 0.23 0.00 0.00 176.35 175.81 1rgu s PRO 577 N -1.53 0.94 0.49 1.29 0.04 -1.26 -5.10 135.00 129.86 1rgu s PRO 577 Ca 0.00 0.59 -0.21 0.00 0.04 0.00 0.00 61.00 61.43 1rgu s PRO 577 Cb -0.09 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 1rgu s PRO 577 CO 0.02 -2.40 1.07 -2.14 0.04 0.00 0.00 177.00 173.59 1rgu s PRO 578 N -5.01 3.74 -0.19 0.56 0.02 -1.26 -5.03 135.00 127.83 1rgu s PRO 578 Ca 0.64 1.48 -0.14 0.00 0.02 0.00 0.00 61.00 63.00 1rgu s PRO 578 Cb -0.17 -2.16 -0.04 0.00 0.02 0.00 0.00 34.50 32.14 1rgu s PRO 578 CO 0.56 -0.51 0.32 -2.00 -0.33 0.00 0.00 177.00 175.05 1rgu s GLU 579 N -3.09 4.19 0.45 5.54 2.12 -1.26 -4.97 118.70 121.67 1rgu s GLU 579 Ca 0.67 0.09 -0.25 0.00 0.36 0.00 0.00 54.97 55.83 1rgu s GLU 579 Cb -0.20 -3.50 -0.09 0.00 0.26 0.00 0.00 34.13 30.60 1rgu s GLU 579 CO 0.24 0.07 1.41 -0.11 -0.54 0.00 0.00 175.26 176.32 1rgu n LEU 580 N 4.15 4.92 -4.60 2.70 7.94 -1.26 0.01 117.00 130.85 1rgu n LEU 580 Ca -0.11 1.12 -0.48 0.00 -1.11 0.00 0.00 56.01 55.43 1rgu n LEU 580 Cb 0.51 -1.59 -0.04 0.00 0.53 0.00 0.00 43.42 42.84 1rgu n LEU 580 CO 0.39 -0.24 0.80 -1.22 -1.11 0.00 0.00 177.39 176.01 1rgu n TYR 581 N -0.20 1.49 -0.50 1.96 4.02 -1.11 -4.68 117.16 118.15 1rgu n TYR 581 Ca 0.05 0.62 -0.29 0.00 -0.01 0.00 0.00 57.90 58.28 1rgu n TYR 581 Cb 0.41 -2.32 0.27 0.00 -0.02 0.00 0.00 39.34 37.67 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 0.12 1.50 0.32 2.72 0.00 -1.26 -4.90 107.32 105.82 1rgu s GLY 582 Ca 0.74 -0.35 0.14 0.00 0.00 0.00 0.00 44.72 45.24 1rgu s GLY 582 CO 0.51 0.46 1.68 1.48 0.00 0.00 0.00 173.10 177.23 1rgu h SER 583 N -2.88 0.00 -0.37 1.64 4.64 -2.05 -2.60 113.55 111.93 1rgu h SER 583 Ca -0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 1rgu h SER 583 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1rgu h SER 583 CO 0.45 0.51 0.00 2.29 -0.87 0.00 0.00 176.83 179.21 1rgu n LYS 584 N -3.74 1.87 -3.14 4.77 2.85 -1.26 -4.93 118.16 114.58 1rgu n LYS 584 Ca -0.01 -1.35 -0.33 0.00 -1.05 0.00 0.00 58.31 55.57 1rgu n LYS 584 Cb 0.56 -1.30 -0.06 0.00 -0.65 0.00 0.00 35.03 33.58 1rgu n LYS 584 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1rgu s ASP 585 N -1.03 6.80 0.03 -5.58 1.01 -0.98 -5.04 116.67 111.87 1rgu s ASP 585 Ca 0.26 1.28 0.02 0.00 0.71 0.00 0.00 52.55 54.82 1rgu s ASP 585 Cb 0.13 -2.37 -0.02 0.00 1.01 0.00 0.00 42.92 41.67 1rgu s ASP 585 CO 0.18 -0.18 -0.07 -0.13 0.21 0.00 0.00 175.17 175.18 1rgu s ARG 586 N -2.88 0.51 0.26 8.23 0.52 -1.26 -4.90 118.95 119.44 1rgu s ARG 586 Ca 0.53 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.88 1rgu s ARG 586 Cb -0.11 -0.36 -0.10 0.00 0.52 0.00 0.00 34.95 34.90 1rgu s ARG 586 CO 0.18 0.08 1.35 -1.25 0.02 0.00 0.00 175.30 175.68 1rgu s PRO 587 N -1.05 4.34 0.04 3.54 0.04 -1.26 -0.35 135.00 140.30 1rgu s PRO 587 Ca -0.05 2.19 -0.33 0.00 0.04 0.00 0.00 61.00 62.85 1rgu s PRO 587 Cb -0.07 -3.12 -0.12 0.00 0.04 0.00 0.00 34.50 31.23 1rgu s PRO 587 CO 0.00 -0.28 1.82 1.87 0.04 0.00 0.00 177.00 180.45 1rgu n TRP 588 N 1.85 2.42 -4.29 0.56 -0.00 -0.55 -4.55 117.44 112.89 1rgu n TRP 588 Ca 0.04 -0.03 -0.33 0.00 -0.00 0.00 0.00 57.50 57.17 1rgu n TRP 588 Cb 0.42 -2.68 -0.16 0.00 -0.00 0.00 0.00 31.31 28.89 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 3.06 2.38 -0.16 5.87 1.01 -1.26 -4.59 121.20 127.50 1rgu s ILE 589 Ca 0.86 -0.85 0.26 0.00 0.00 0.00 0.00 60.65 60.92 1rgu s ILE 589 Cb -0.60 -2.01 0.32 0.00 0.01 0.00 0.00 42.46 40.18 1rgu s ILE 589 CO 0.43 0.52 1.74 4.11 0.00 0.00 0.00 174.94 181.75 1rgu h TRP 590 N 7.70 0.00 -0.30 3.97 5.08 -0.86 -3.29 115.95 128.25 1rgu h TRP 590 Ca -0.40 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.43 1rgu h TRP 590 Cb 1.16 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 27.24 1rgu h TRP 590 CO 0.49 0.08 -0.09 0.27 -1.28 0.00 0.00 178.44 177.91 1rgu n ASN 591 N -3.14 2.60 -4.44 0.11 6.94 -1.26 -4.81 115.26 111.25 1rgu n ASN 591 Ca 0.02 -3.66 -0.24 0.00 -0.02 0.00 0.00 54.58 50.68 1rgu n ASN 591 Cb 0.46 -0.61 -0.11 0.00 -2.36 0.00 0.00 39.78 37.17 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 -3.18 2.37 0.38 1.53 -4.36 -1.24 -4.88 121.20 111.82 1rgu s ILE 592 Ca 0.43 -2.26 -0.19 0.00 -0.26 0.00 0.00 60.65 58.37 1rgu s ILE 592 Cb 0.39 -2.21 -0.10 0.00 1.25 0.00 0.00 42.46 41.79 1rgu s ILE 592 CO 0.01 -0.32 0.87 -2.16 0.24 0.00 0.00 174.94 173.57 1rgu s PRO 593 N -3.23 4.17 -0.24 0.37 0.04 -1.26 -4.64 135.00 130.21 1rgu s PRO 593 Ca 0.26 0.97 -0.01 0.00 0.04 0.00 0.00 61.00 62.26 1rgu s PRO 593 Cb -0.06 -2.32 0.07 0.00 0.04 0.00 0.00 34.50 32.24 1rgu s PRO 593 CO 0.13 0.06 0.02 0.71 0.04 0.00 0.00 177.00 177.95 1rgu s TYR 594 N -2.07 1.76 0.00 0.56 2.02 0.20 -4.97 117.35 114.85 1rgu s TYR 594 Ca 0.58 -1.44 0.00 0.00 -0.37 0.00 0.00 57.07 55.84 1rgu s TYR 594 Cb -0.10 -1.44 0.00 0.00 -0.40 0.00 0.00 41.96 40.02 1rgu s TYR 594 CO 0.15 -0.74 0.21 1.33 -1.57 0.00 0.00 175.55 174.93 1rgu n VAL 595 N 4.84 0.01 0.06 0.71 0.24 -1.26 -1.84 118.33 121.09 1rgu n VAL 595 Ca -0.08 -0.20 -0.03 0.00 -2.04 0.00 0.00 64.34 61.98 1rgu n VAL 595 Cb 0.45 1.58 -0.08 0.00 -1.47 0.00 0.00 33.84 34.32 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 -3.58 7.34 1.57 -1.98 -3.45 116.57 116.47 1rgu h LYS 596 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 1rgu h LYS 596 Cb 0.31 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 32.30 1rgu h LYS 596 CO 0.00 0.63 -0.72 0.00 -0.57 0.00 0.00 179.45 178.78 1rgu s ALA 597 N -2.80 0.05 0.59 3.86 0.00 -1.26 -5.15 121.76 117.05 1rgu s ALA 597 Ca -0.00 0.23 -0.13 0.00 0.00 0.00 0.00 51.96 52.05 1rgu s ALA 597 Cb 0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 1rgu s ALA 597 CO 0.80 -0.08 1.02 -1.25 0.00 0.00 0.00 175.76 176.25 1rgu s PRO 598 N 0.76 3.67 0.28 0.00 0.04 -1.26 -4.85 135.00 133.64 1rgu s PRO 598 Ca -0.06 0.85 0.01 0.00 0.04 0.00 0.00 61.00 61.84 1rgu s PRO 598 Cb -0.09 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.41 1rgu s PRO 598 CO -0.02 -0.51 0.39 -0.40 0.04 0.00 0.00 177.00 176.50 1rgu n ASP 599 N -2.35 0.69 -0.50 6.66 3.85 -0.29 -4.86 116.55 119.75 1rgu n ASP 599 Ca 0.06 -1.54 0.40 0.00 -0.71 0.00 0.00 54.79 53.01 1rgu n ASP 599 Cb 0.54 -0.24 0.70 0.00 -1.35 0.00 0.00 41.12 40.77 1rgu n ASP 599 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.20 176.93 1rgu h THR 600 N -0.28 0.14 -0.39 2.12 2.02 -1.68 0.55 112.91 115.39 1rgu h THR 600 Ca -0.13 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1rgu h THR 600 Cb 0.52 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1rgu h THR 600 CO 0.15 0.01 0.00 1.41 0.37 0.00 0.00 175.52 177.47 1rgu n HIS 601 N -4.44 1.26 -1.38 3.16 8.25 -1.26 -4.93 115.22 115.87 1rgu n HIS 601 Ca 0.37 -0.78 -0.09 0.00 -0.26 0.00 0.00 57.72 56.96 1rgu n HIS 601 Cb 1.54 -0.34 -0.04 0.00 1.12 0.00 0.00 29.99 32.28 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 0.04 0.97 3.73 -1.41 0.00 0.19 -5.02 105.19 103.69 1rgu n GLY 602 Ca 0.23 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.86 5.11 0.50 1.61 0.01 -1.26 -4.77 114.94 113.27 1rgu s ASN 603 Ca 0.00 -0.34 0.07 0.00 -0.71 0.00 0.00 52.86 51.88 1rgu s ASN 603 Cb 0.00 -1.19 0.07 0.00 0.41 0.00 0.00 41.25 40.54 1rgu s ASN 603 CO 0.00 0.03 0.56 0.23 -1.51 0.00 0.00 177.10 176.42 1rgu n MET 604 N -0.60 0.71 -3.77 -0.60 2.81 -1.26 -1.14 117.12 113.27 1rgu n MET 604 Ca -0.08 -2.85 -0.27 0.00 -1.81 0.00 0.00 57.70 52.69 1rgu n MET 604 Cb 0.56 0.01 -0.17 0.00 -0.71 0.00 0.00 33.22 32.92 1rgu n MET 604 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 1rgu s TRP 605 N -2.25 1.07 -0.37 2.03 -0.11 -0.77 -4.97 118.94 113.57 1rgu s TRP 605 Ca 0.43 -0.76 0.00 0.00 1.22 0.00 0.00 56.10 56.99 1rgu s TRP 605 Cb -0.03 -1.03 0.13 0.00 -1.50 0.00 0.00 33.47 31.03 1rgu s TRP 605 CO 0.27 -0.55 0.19 0.08 -4.62 0.00 0.00 176.95 172.31 1rgu s VAL 606 N 1.84 0.76 -0.11 5.86 1.01 -1.26 -0.63 120.40 127.87 1rgu s VAL 606 Ca 0.00 -1.86 -0.30 0.00 0.00 0.00 0.00 61.98 59.83 1rgu s VAL 606 Cb -0.16 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1rgu s VAL 606 CO -0.07 -0.86 1.19 -2.16 0.00 0.00 0.00 175.10 173.20 1rgu s PRO 607 N 1.03 4.31 0.00 2.72 0.04 -1.26 -5.04 135.00 136.80 1rgu s PRO 607 Ca 0.15 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1rgu s PRO 607 Cb -0.22 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1rgu s PRO 607 CO -0.09 -0.54 0.00 0.43 0.04 0.00 0.00 177.00 176.85