#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpk s GLU 208 N 0.00 3.70 0.06 -0.78 8.01 -1.26 -4.43 118.70 124.00 3gpk s GLU 208 Ca 0.00 2.22 0.07 0.00 0.01 0.00 0.00 54.97 57.27 3gpk s GLU 208 Cb 0.00 -2.60 -0.03 0.00 -4.31 0.00 0.00 34.13 27.19 3gpk s GLU 208 CO 0.00 -0.74 -0.19 -1.21 0.01 0.00 0.00 175.26 173.13 3gpk s GLU 209 N -2.48 1.16 -0.04 1.61 2.02 -0.07 -4.70 118.70 116.21 3gpk s GLU 209 Ca 0.62 -0.97 0.04 0.00 0.02 0.00 0.00 54.97 54.67 3gpk s GLU 209 Cb -0.40 -1.30 -0.00 0.00 0.10 0.00 0.00 34.13 32.54 3gpk s GLU 209 CO 0.50 0.32 -0.14 0.71 0.02 0.00 0.00 175.26 176.67 3gpk s TYR 210 N -0.96 1.39 -0.42 1.61 2.02 0.09 -2.21 117.35 118.86 3gpk s TYR 210 Ca 0.05 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.22 3gpk s TYR 210 Cb -0.09 -0.95 0.03 0.00 -0.40 0.00 0.00 41.96 40.54 3gpk s TYR 210 CO 0.02 -0.13 0.34 0.50 -1.57 0.00 0.00 175.55 174.72 3gpk s ARG 211 N 0.09 3.00 0.04 -0.62 3.52 -0.29 -0.46 118.95 124.22 3gpk s ARG 211 Ca -0.03 -1.01 0.09 0.00 -0.13 0.00 0.00 55.73 54.64 3gpk s ARG 211 Cb -0.10 -4.00 -0.03 0.00 -1.56 0.00 0.00 34.95 29.26 3gpk s ARG 211 CO 0.01 -0.82 -0.25 0.42 -0.81 0.00 0.00 175.30 173.86 3gpk s ILE 212 N 1.78 2.26 -0.08 4.11 1.01 -1.20 -0.98 121.20 128.10 3gpk s ILE 212 Ca 0.06 -1.32 -0.02 0.00 0.00 0.00 0.00 60.65 59.38 3gpk s ILE 212 Cb -0.19 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 3gpk s ILE 212 CO 0.10 0.39 0.00 -0.83 0.00 0.00 0.00 174.94 174.60 3gpk s GLY 213 N -1.20 1.86 -0.00 6.18 0.00 0.33 -0.59 107.32 113.90 3gpk s GLY 213 Ca 0.12 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 44.04 3gpk s GLY 213 CO 0.02 -0.59 -0.05 1.85 0.00 0.00 0.00 173.10 174.33 3gpk s GLU 214 N -0.95 0.41 -0.21 2.90 2.12 0.70 -1.09 118.70 122.58 3gpk s GLU 214 Ca 0.14 -0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.30 3gpk s GLU 214 Cb -0.11 -0.40 0.04 0.00 0.26 0.00 0.00 34.13 33.92 3gpk s GLU 214 CO 0.03 0.11 -0.14 0.42 -0.54 0.00 0.00 175.26 175.14 3gpk s ILE 215 N -0.11 1.89 -0.14 -3.70 1.01 -0.60 -4.40 121.20 115.15 3gpk s ILE 215 Ca 0.02 -1.12 -0.03 0.00 0.00 0.00 0.00 60.65 59.51 3gpk s ILE 215 Cb -0.02 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 3gpk s ILE 215 CO -0.00 0.25 -0.03 0.12 0.00 0.00 0.00 174.94 175.27 3gpk s PHE 216 N 1.30 3.04 -0.21 3.97 5.36 -1.26 -1.00 117.98 129.17 3gpk s PHE 216 Ca -0.01 -0.21 0.02 0.00 -0.96 0.00 0.00 56.93 55.77 3gpk s PHE 216 Cb -0.16 -1.92 0.04 0.00 -0.34 0.00 0.00 43.02 40.64 3gpk s PHE 216 CO -0.09 0.06 -0.13 -0.51 -1.46 0.00 0.00 175.22 173.09 3gpk s LEU 217 N 0.13 2.60 0.41 6.12 1.43 0.27 -0.28 118.68 129.37 3gpk s LEU 217 Ca -0.01 -0.99 -0.24 0.00 -1.03 0.00 0.00 54.13 51.87 3gpk s LEU 217 Cb -0.14 -1.40 -0.09 0.00 0.03 0.00 0.00 46.19 44.60 3gpk s LEU 217 CO 0.03 -0.12 1.07 0.00 0.23 0.00 0.00 176.35 177.55 3gpk s ALA 218 N 1.28 3.07 -0.28 4.21 0.00 -1.26 -0.96 121.76 127.81 3gpk s ALA 218 Ca -0.02 0.73 -0.21 0.00 0.00 0.00 0.00 51.96 52.47 3gpk s ALA 218 Cb -0.17 -3.29 0.08 0.00 0.00 0.00 0.00 23.12 19.75 3gpk s ALA 218 CO -0.08 -0.28 0.75 0.00 0.00 0.00 0.00 175.76 176.15 3gpk s ALA 219 N -1.65 -1.87 0.76 0.00 0.00 -0.00 -4.90 121.76 114.09 3gpk s ALA 219 Ca 0.59 2.20 -0.11 0.00 0.00 0.00 0.00 51.96 54.64 3gpk s ALA 219 Cb -0.23 -1.34 0.04 0.00 0.00 0.00 0.00 23.12 21.59 3gpk s ALA 219 CO 0.28 -0.35 1.08 0.95 0.00 0.00 0.00 175.76 177.73 3gpk s THR 220 N 0.97 3.44 0.33 0.00 -4.23 -1.26 -4.01 115.64 110.88 3gpk s THR 220 Ca -0.05 0.47 0.06 0.00 -1.18 0.00 0.00 61.69 60.99 3gpk s THR 220 Cb -0.05 -3.23 0.31 0.00 1.34 0.00 0.00 72.50 70.87 3gpk s THR 220 CO -0.10 -0.61 1.87 -0.33 -0.54 0.00 0.00 174.62 174.91 3gpk h GLU 221 N -0.93 0.78 -0.36 3.99 4.39 -1.97 -0.44 114.58 120.03 3gpk h GLU 221 Ca -0.46 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.14 3gpk h GLU 221 Cb 1.25 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 3gpk h GLU 221 CO 0.59 0.52 -0.01 0.93 -1.16 0.00 0.00 179.01 179.87 3gpk h GLU 222 N 0.80 0.57 -0.02 2.33 3.07 -2.04 -2.92 114.58 116.38 3gpk h GLU 222 Ca 0.45 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 3gpk h GLU 222 Cb 0.60 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 3gpk h GLU 222 CO -0.21 0.61 -0.17 0.09 -1.40 0.00 0.00 179.01 177.92 3gpk n ASN 223 N -4.26 1.85 -0.14 1.42 3.02 -0.35 -4.56 115.26 112.25 3gpk n ASN 223 Ca 0.02 -1.47 -0.04 0.00 -0.03 0.00 0.00 54.58 53.06 3gpk n ASN 223 Cb 0.26 0.14 0.04 0.00 -0.61 0.00 0.00 39.78 39.62 3gpk n ASN 223 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3gpk h LYS 224 N 2.64 0.28 -0.98 3.52 1.57 -0.94 -0.77 116.57 121.89 3gpk h LYS 224 Ca 0.00 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3gpk h LYS 224 Cb 0.68 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.86 3gpk h LYS 224 CO 0.00 0.19 0.64 -1.35 -0.57 0.00 0.00 179.45 178.35 3gpk h PRO 225 N 0.29 1.11 -0.30 3.15 0.11 -1.80 0.25 132.00 134.81 3gpk h PRO 225 Ca 0.21 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 3gpk h PRO 225 Cb 0.22 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 3gpk h PRO 225 CO -0.23 0.74 -0.09 0.37 -0.21 0.00 0.00 178.00 178.57 3gpk h GLN 226 N 1.15 0.59 -0.13 1.05 5.75 -1.73 -2.48 115.11 119.30 3gpk h GLN 226 Ca 0.42 -0.24 -0.09 0.00 -0.15 0.00 0.00 58.65 58.59 3gpk h GLN 226 Cb 0.17 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 3gpk h GLN 226 CO -0.17 0.80 -0.33 0.28 -2.65 0.00 0.00 178.83 176.76 3gpk h VAL 227 N 0.36 1.28 -0.89 2.39 2.07 -0.60 -2.13 116.25 118.72 3gpk h VAL 227 Ca 0.07 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 3gpk h VAL 227 Cb 0.59 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 3gpk h VAL 227 CO 0.03 0.40 0.49 0.15 0.02 0.00 0.00 177.57 178.66 3gpk h PHE 228 N 0.23 1.22 -0.69 1.57 3.57 -0.39 0.40 116.94 122.86 3gpk h PHE 228 Ca 0.03 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3gpk h PHE 228 Cb 0.70 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 3gpk h PHE 228 CO 0.01 0.85 0.31 0.00 -2.23 0.00 0.00 178.31 177.25 3gpk h ALA 229 N 1.29 0.89 -0.49 2.41 0.00 -0.94 0.74 119.26 123.15 3gpk h ALA 229 Ca 0.31 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3gpk h ALA 229 Cb 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3gpk h ALA 229 CO -0.05 0.47 0.14 -0.91 0.00 0.00 0.00 179.25 178.90 3gpk h ASN 230 N 0.96 0.73 -0.66 0.00 2.35 -0.77 -2.31 115.58 115.90 3gpk h ASN 230 Ca 0.23 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 3gpk h ASN 230 Cb 0.15 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3gpk h ASN 230 CO -0.03 0.76 0.17 0.00 -1.65 0.00 0.00 177.43 176.68 3gpk h ALA 231 N 1.00 0.86 -0.61 -0.83 0.00 -0.56 -2.72 119.26 116.42 3gpk h ALA 231 Ca 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3gpk h ALA 231 Cb 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3gpk h ALA 231 CO -0.00 0.57 0.20 1.49 0.00 0.00 0.00 179.25 181.51 3gpk h GLU 232 N 0.97 0.91 -0.39 0.00 4.57 -0.67 -0.50 114.58 119.47 3gpk h GLU 232 Ca 0.21 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3gpk h GLU 232 Cb 0.35 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 3gpk h GLU 232 CO 0.00 0.78 0.03 0.87 -1.18 0.00 0.00 179.01 179.51 3gpk h LYS 233 N 0.89 0.60 -0.28 1.92 1.79 -1.18 -0.55 116.57 119.75 3gpk h LYS 233 Ca 0.20 -0.13 -0.09 0.00 -2.18 0.00 0.00 60.65 58.46 3gpk h LYS 233 Cb 0.24 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 3gpk h LYS 233 CO -0.01 0.60 -0.16 0.82 -1.08 0.00 0.00 179.45 179.62 3gpk h ILE 234 N 0.58 1.30 -0.87 1.86 2.04 -1.03 -2.12 117.51 119.26 3gpk h ILE 234 Ca 0.13 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 64.74 3gpk h ILE 234 Cb 0.32 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 3gpk h ILE 234 CO 0.01 0.41 0.56 0.58 0.00 0.00 0.00 178.15 179.71 3gpk h VAL 235 N 0.35 1.14 -0.43 1.67 2.07 -0.70 -0.51 116.25 119.84 3gpk h VAL 235 Ca 0.06 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.23 3gpk h VAL 235 Cb 0.69 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3gpk h VAL 235 CO 0.05 0.20 0.23 -0.08 0.02 0.00 0.00 177.57 177.99 3gpk h GLU 236 N 1.09 0.45 -0.52 1.57 4.81 -0.90 0.97 114.58 122.05 3gpk h GLU 236 Ca 0.35 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.49 3gpk h GLU 236 Cb 0.01 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3gpk h GLU 236 CO -0.12 0.30 0.08 1.96 -0.73 0.00 0.00 179.01 180.50 3gpk h GLN 237 N 0.47 0.83 -0.23 1.92 1.08 -0.68 -2.20 115.11 116.30 3gpk h GLN 237 Ca 0.18 -0.19 -0.08 0.00 -1.45 0.00 0.00 58.65 57.11 3gpk h GLN 237 Cb 0.05 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.37 3gpk h GLN 237 CO -0.11 0.78 -0.18 -0.07 -0.95 0.00 0.00 178.83 178.30 3gpk h LEU 238 N 0.79 0.55 -1.96 1.46 3.38 -0.56 0.19 115.31 119.17 3gpk h LEU 238 Ca 0.17 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3gpk h LEU 238 Cb 0.36 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3gpk h LEU 238 CO 0.01 0.89 -0.09 0.11 0.09 0.00 0.00 178.44 179.44 3gpk h LYS 239 N 0.22 0.00 -0.02 1.13 1.57 -0.71 -1.34 116.57 117.42 3gpk h LYS 239 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3gpk h LYS 239 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3gpk h LYS 239 CO 0.05 0.09 0.00 1.04 -0.57 0.00 0.00 179.45 180.06 3gpk n GLN 240 N -4.09 1.47 0.00 3.15 6.02 -0.84 -4.90 117.38 118.18 3gpk n GLN 240 Ca -0.03 -0.68 0.00 0.00 -0.01 0.00 0.00 57.00 56.29 3gpk n GLN 240 Cb 0.18 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.97 3gpk n GLN 240 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gpk n GLY 241 N 1.11 1.04 3.73 1.08 0.00 -0.51 -5.07 105.19 106.57 3gpk n GLY 241 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3gpk n GLY 241 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gpk s GLY 242 N -1.05 2.86 -0.07 -0.02 0.00 0.04 -4.93 107.32 104.15 3gpk s GLY 242 Ca 0.00 1.22 -0.30 0.00 0.00 0.00 0.00 44.72 45.64 3gpk s GLY 242 CO 0.00 1.65 1.39 -0.45 0.00 0.00 0.00 173.10 175.69 3gpk s SER 243 N -1.36 6.86 0.21 1.64 0.15 -1.26 -4.66 113.70 115.28 3gpk s SER 243 Ca 0.81 1.97 -0.10 0.00 0.70 0.00 0.00 55.95 59.34 3gpk s SER 243 Cb -0.37 -2.55 0.17 0.00 -1.71 0.00 0.00 66.02 61.55 3gpk s SER 243 CO 0.40 -0.76 1.87 0.15 1.20 0.00 0.00 173.24 176.10 3gpk h PHE 244 N 8.28 1.01 -0.49 3.44 3.57 -1.95 -1.59 116.94 129.21 3gpk h PHE 244 Ca -0.34 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.18 3gpk h PHE 244 Cb 1.15 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 3gpk h PHE 244 CO 0.79 0.65 0.31 0.28 -2.23 0.00 0.00 178.31 178.12 3gpk h VAL 245 N 1.07 1.10 -0.27 1.41 2.07 -1.91 0.59 116.25 120.31 3gpk h VAL 245 Ca 0.28 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 3gpk h VAL 245 Cb -0.09 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3gpk h VAL 245 CO -0.06 0.12 0.12 0.00 0.02 0.00 0.00 177.57 177.76 3gpk h ALA 246 N 1.19 0.34 -0.29 1.67 0.00 -1.80 -0.87 119.26 119.50 3gpk h ALA 246 Ca 0.18 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3gpk h ALA 246 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3gpk h ALA 246 CO -0.05 -0.08 -0.24 1.88 0.00 0.00 0.00 179.25 180.75 3gpk h TYR 247 N 0.29 0.63 -0.37 0.00 0.05 -1.13 -2.13 116.97 114.31 3gpk h TYR 247 Ca 0.09 -0.14 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 3gpk h TYR 247 Cb 0.15 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 3gpk h TYR 247 CO -0.01 0.76 0.01 0.00 -1.05 0.00 0.00 178.16 177.86 3gpk h ALA 248 N 1.24 0.50 -0.44 3.88 0.00 -0.69 0.16 119.26 123.91 3gpk h ALA 248 Ca 0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3gpk h ALA 248 Cb 0.69 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3gpk h ALA 248 CO 0.05 0.26 0.12 0.00 0.00 0.00 0.00 179.25 179.67 3gpk h ARG 249 N 0.47 0.65 0.22 0.00 3.08 -1.00 0.26 114.38 118.06 3gpk h ARG 249 Ca 0.11 -0.11 -0.30 0.00 0.07 0.00 0.00 59.98 59.75 3gpk h ARG 249 Cb 0.45 -0.11 0.03 0.00 0.08 0.00 0.00 29.97 30.42 3gpk h ARG 249 CO 0.02 0.59 -1.31 0.37 -1.07 0.00 0.00 179.97 178.56 3gpk h GLN 250 N 0.64 0.47 0.00 0.04 5.75 -1.16 -3.42 115.11 117.43 3gpk h GLN 250 Ca 0.15 -0.81 -0.09 0.00 -0.15 0.00 0.00 58.65 57.75 3gpk h GLN 250 Cb 0.23 0.30 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 3gpk h GLN 250 CO -0.00 1.39 -1.65 0.66 -2.65 0.00 0.00 178.83 176.58 3gpk n TYR 251 N -3.83 0.00 -2.05 3.99 4.01 0.55 -5.01 117.16 114.82 3gpk n TYR 251 Ca -0.16 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.16 3gpk n TYR 251 Cb 1.03 -0.39 -0.02 0.00 -0.31 0.00 0.00 39.34 39.64 3gpk n TYR 251 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3gpk s SER 252 N -3.81 6.69 0.00 7.72 0.15 0.07 -4.77 113.70 119.76 3gpk s SER 252 Ca -0.05 2.64 0.21 0.00 0.70 0.00 0.00 55.95 59.45 3gpk s SER 252 Cb 0.06 -2.62 0.58 0.00 -1.71 0.00 0.00 66.02 62.33 3gpk s SER 252 CO 0.49 -0.66 1.49 -0.62 1.20 0.00 0.00 173.24 175.13 3gpk n GLU 253 N 2.18 2.74 -3.10 5.44 1.02 0.62 -4.73 120.64 124.80 3gpk n GLU 253 Ca 0.06 -2.55 -0.25 0.00 -0.02 0.00 0.00 57.16 54.40 3gpk n GLU 253 Cb 0.41 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.30 3gpk n GLU 253 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gpk s ALA 254 N -1.02 3.58 -0.51 0.62 0.00 -1.26 -4.97 121.76 118.20 3gpk s ALA 254 Ca 0.44 -0.74 0.18 0.00 0.00 0.00 0.00 51.96 51.85 3gpk s ALA 254 Cb 0.23 -2.30 0.87 0.00 0.00 0.00 0.00 23.12 21.92 3gpk s ALA 254 CO 0.30 -0.13 1.55 -1.13 0.00 0.00 0.00 175.76 176.36 3gpk n SER 255 N -1.91 0.45 -0.47 0.00 3.41 -1.26 -1.75 113.62 112.08 3gpk n SER 255 Ca -0.03 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 3gpk n SER 255 Cb 0.56 -0.74 0.46 0.00 -0.26 0.00 0.00 64.21 64.23 3gpk n SER 255 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gpk n THR 256 N -2.05 0.12 -0.17 6.66 -2.24 -1.26 -4.27 114.28 111.07 3gpk n THR 256 Ca 0.01 -0.28 -0.03 0.00 -2.27 0.00 0.00 64.05 61.48 3gpk n THR 256 Cb 0.11 0.32 0.07 0.00 -2.10 0.00 0.00 70.33 68.73 3gpk n THR 256 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gpk h ALA 257 N 4.10 0.67 -0.52 6.98 0.00 -1.63 0.19 119.26 129.05 3gpk h ALA 257 Ca 0.00 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.07 3gpk h ALA 257 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3gpk h ALA 257 CO 0.00 -0.16 0.36 0.00 0.00 0.00 0.00 179.25 179.44 3gpk h ALA 258 N 1.34 2.16 -0.62 0.00 0.00 -1.84 -1.05 119.26 119.24 3gpk h ALA 258 Ca 0.25 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 3gpk h ALA 258 Cb 0.25 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.87 3gpk h ALA 258 CO -0.23 -0.28 0.27 1.33 0.00 0.00 0.00 179.25 180.33 3gpk n VAL 259 N -4.45 2.45 -1.18 0.00 0.24 -0.83 -4.88 118.33 109.68 3gpk n VAL 259 Ca 0.09 -1.30 -0.06 0.00 -2.04 0.00 0.00 64.34 61.02 3gpk n VAL 259 Cb 0.41 -0.46 -0.03 0.00 -1.47 0.00 0.00 33.84 32.29 3gpk n VAL 259 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gpk n GLY 260 N -0.17 0.86 2.35 7.63 0.00 -0.40 -3.18 105.19 112.29 3gpk n GLY 260 Ca 0.35 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3gpk n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpk n GLY 261 N -1.99 0.50 3.65 -0.02 0.00 -0.01 -4.36 105.19 102.96 3gpk n GLY 261 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3gpk n GLY 261 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gpk s ASP 262 N -2.16 6.64 0.00 1.61 2.15 -1.19 -0.22 116.67 123.51 3gpk s ASP 262 Ca 0.00 2.03 0.26 0.00 0.43 0.00 0.00 52.55 55.27 3gpk s ASP 262 Cb 0.00 -2.53 0.68 0.00 -0.30 0.00 0.00 42.92 40.77 3gpk s ASP 262 CO 0.00 -0.97 1.52 0.18 -0.17 0.00 0.00 175.17 175.73 3gpk n LEU 263 N 7.35 1.37 0.00 -1.34 4.77 0.25 -4.97 117.00 124.42 3gpk n LEU 263 Ca 0.17 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 3gpk n LEU 263 Cb 0.44 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3gpk n LEU 263 CO 0.62 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 3gpk n GLY 264 N 1.32 -1.16 3.68 -0.72 0.00 -1.26 -4.69 105.19 102.37 3gpk n GLY 264 Ca 0.13 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 3gpk n GLY 264 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gpk s TRP 265 N 0.00 3.49 0.13 1.61 0.52 -1.26 -3.20 118.94 120.23 3gpk s TRP 265 Ca 0.00 1.50 0.01 0.00 0.02 0.00 0.00 56.10 57.63 3gpk s TRP 265 Cb 0.00 -3.13 -0.04 0.00 -1.15 0.00 0.00 33.47 29.15 3gpk s TRP 265 CO 0.00 -0.21 -0.01 0.96 0.02 0.00 0.00 176.95 177.71 3gpk s ILE 266 N 1.99 0.52 0.01 2.03 -4.36 0.39 -4.91 121.20 116.87 3gpk s ILE 266 Ca 0.45 -1.94 -0.01 0.00 -0.26 0.00 0.00 60.65 58.89 3gpk s ILE 266 Cb -0.18 -1.93 -0.04 0.00 1.25 0.00 0.00 42.46 41.56 3gpk s ILE 266 CO 0.17 -0.63 0.15 -0.13 0.24 0.00 0.00 174.94 174.74 3gpk s ARG 267 N -3.92 3.31 0.54 0.37 0.52 -1.26 -0.73 118.95 117.77 3gpk s ARG 267 Ca 0.19 -0.40 0.27 0.00 -0.52 0.00 0.00 55.73 55.26 3gpk s ARG 267 Cb 0.06 -3.01 1.43 0.00 0.52 0.00 0.00 34.95 33.96 3gpk s ARG 267 CO -0.00 0.65 1.98 -0.07 0.02 0.00 0.00 175.30 177.88 3gpk h LEU 268 N 3.76 0.00 -1.16 2.53 3.38 -1.96 0.10 115.31 121.96 3gpk h LEU 268 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3gpk h LEU 268 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3gpk h LEU 268 CO 0.68 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.21 3gpk h ALA 269 N 1.69 1.00 0.00 1.53 0.00 -1.98 -1.49 119.26 120.02 3gpk h ALA 269 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3gpk h ALA 269 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3gpk h ALA 269 CO -0.00 0.00 -0.07 1.96 0.00 0.00 0.00 179.25 181.14 3gpk h GLN 270 N 0.00 0.00 -6.14 0.00 4.20 -1.37 -3.46 115.11 108.35 3gpk h GLN 270 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 3gpk h GLN 270 Cb 0.19 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3gpk h GLN 270 CO 0.00 0.00 -0.39 -0.51 -0.67 0.00 0.00 178.83 177.26 3gpk s LEU 271 N -4.65 4.28 0.66 1.46 1.43 -0.56 -5.07 118.68 116.22 3gpk s LEU 271 Ca 0.10 0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 53.37 3gpk s LEU 271 Cb 0.12 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 43.26 3gpk s LEU 271 CO 0.62 0.01 1.14 -2.16 0.23 0.00 0.00 176.35 176.18 3gpk s PRO 272 N -3.20 2.72 0.26 1.29 0.04 -1.26 -4.58 135.00 130.27 3gpk s PRO 272 Ca 0.37 1.51 -0.10 0.00 0.04 0.00 0.00 61.00 62.82 3gpk s PRO 272 Cb -0.11 -1.93 0.38 0.00 0.04 0.00 0.00 34.50 32.87 3gpk s PRO 272 CO 0.29 -1.33 1.58 1.15 0.04 0.00 0.00 177.00 178.72 3gpk h THR 273 N 0.12 0.10 -0.74 1.26 2.02 -1.96 0.61 112.91 114.32 3gpk h THR 273 Ca -0.47 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.79 3gpk h THR 273 Cb 1.26 0.10 -0.07 0.00 -1.74 0.00 0.00 68.15 67.71 3gpk h THR 273 CO 0.53 0.00 0.40 -0.33 0.37 0.00 0.00 175.52 176.49 3gpk h GLU 274 N -0.01 0.67 0.08 6.66 3.07 -1.90 -0.04 114.58 123.12 3gpk h GLU 274 Ca 0.42 -0.04 -0.25 0.00 -0.50 0.00 0.00 59.36 58.99 3gpk h GLU 274 Cb 0.64 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 3gpk h GLU 274 CO -0.92 0.44 -1.16 -0.07 -1.40 0.00 0.00 179.01 175.91 3gpk h LEU 275 N 0.69 0.27 -0.26 1.33 3.38 -1.52 -2.99 115.31 116.20 3gpk h LEU 275 Ca 0.35 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3gpk h LEU 275 Cb 0.31 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3gpk h LEU 275 CO -0.24 1.23 0.06 0.00 0.09 0.00 0.00 178.44 179.58 3gpk h ALA 276 N 0.73 0.34 0.00 1.53 0.00 -0.49 0.08 119.26 121.45 3gpk h ALA 276 Ca -0.09 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3gpk h ALA 276 Cb 1.90 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 3gpk h ALA 276 CO 0.18 -0.00 -0.31 1.79 0.00 0.00 0.00 179.25 180.90 3gpk h THR 277 N 0.25 0.97 -0.02 0.00 1.35 -1.12 -1.49 112.91 112.84 3gpk h THR 277 Ca 0.08 -1.18 -0.08 0.00 -0.55 0.00 0.00 66.41 64.68 3gpk h THR 277 Cb 0.28 1.69 0.01 0.00 -1.73 0.00 0.00 68.15 68.40 3gpk h THR 277 CO 0.00 0.31 -0.31 0.74 -0.25 0.00 0.00 175.52 176.01 3gpk h THR 278 N 0.00 1.49 -0.56 6.82 2.02 -1.34 -3.28 112.91 118.06 3gpk h THR 278 Ca -0.00 -1.87 -0.01 0.00 0.77 0.00 0.00 66.41 65.29 3gpk h THR 278 Cb 0.66 2.59 -0.03 0.00 -1.74 0.00 0.00 68.15 69.64 3gpk h THR 278 CO 0.04 0.52 0.29 0.00 0.37 0.00 0.00 175.52 176.75 3gpk h ALA 279 N 0.33 1.47 0.00 6.16 0.00 -0.84 -2.56 119.26 123.81 3gpk h ALA 279 Ca -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3gpk h ALA 279 Cb 1.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3gpk h ALA 279 CO 0.06 0.44 -0.07 0.00 0.00 0.00 0.00 179.25 179.68 3gpk h ALA 280 N 1.55 1.67 -1.59 0.00 0.00 -1.33 -3.46 119.26 116.09 3gpk h ALA 280 Ca 0.20 -0.06 -0.80 0.00 0.00 0.00 0.00 54.91 54.24 3gpk h ALA 280 Cb 0.04 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 17.56 3gpk h ALA 280 CO -0.03 0.09 1.01 0.43 0.00 0.00 0.00 179.25 180.75 3gpk n SER 281 N -4.14 6.70 -4.06 0.00 7.64 -0.97 -5.12 113.62 113.67 3gpk n SER 281 Ca -0.03 -3.47 -0.10 0.00 1.01 0.00 0.00 58.87 56.29 3gpk n SER 281 Cb 0.15 -1.26 -0.11 0.00 -1.01 0.00 0.00 64.21 61.99 3gpk n SER 281 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gpk s GLY 283 N -1.41 0.45 0.40 0.23 0.00 -1.26 -5.13 107.32 100.60 3gpk s GLY 283 Ca 0.35 -0.91 -0.27 0.00 0.00 0.00 0.00 44.72 43.89 3gpk s GLY 283 CO 0.02 -0.99 1.43 -1.55 0.00 0.00 0.00 173.10 172.02 3gpk n PRO 284 N 0.94 2.42 -0.97 2.90 -0.04 -1.26 -2.60 135.00 136.39 3gpk n PRO 284 Ca -0.19 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 3gpk n PRO 284 Cb 0.57 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 3gpk n PRO 284 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gpk n GLY 285 N 0.55 0.51 3.97 0.55 0.00 0.81 -5.02 105.19 106.56 3gpk n GLY 285 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 3gpk n GLY 285 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gpk s GLN 286 N -0.35 3.39 0.09 1.61 -0.21 -1.07 -4.87 119.66 118.24 3gpk s GLN 286 Ca 0.00 -0.79 0.04 0.00 0.02 0.00 0.00 55.36 54.62 3gpk s GLN 286 Cb 0.00 -2.87 -0.04 0.00 1.00 0.00 0.00 33.01 31.10 3gpk s GLN 286 CO 0.00 0.36 0.07 -0.51 -2.12 0.00 0.00 175.29 173.09 3gpk s LEU 287 N -4.02 3.73 0.01 2.90 1.43 -1.26 -1.76 118.68 119.71 3gpk s LEU 287 Ca 0.36 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.38 3gpk s LEU 287 Cb -0.09 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 3gpk s LEU 287 CO 0.30 0.16 0.01 0.00 0.23 0.00 0.00 176.35 177.05 3gpk s ALA 288 N -1.41 -0.01 0.00 4.21 0.00 0.07 -4.98 121.76 119.65 3gpk s ALA 288 Ca 0.29 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3gpk s ALA 288 Cb -0.12 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3gpk s ALA 288 CO 0.21 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.25 3gpk n GLY 289 N 1.91 -0.36 3.77 0.00 0.00 -1.26 -0.90 105.19 108.34 3gpk n GLY 289 Ca -0.21 -2.25 -0.40 0.00 0.00 0.00 0.00 46.02 43.15 3gpk n GLY 289 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gpk s PRO 290 N -0.29 4.19 -0.19 1.61 0.04 -1.26 -5.01 135.00 134.09 3gpk s PRO 290 Ca 0.00 2.25 -0.04 0.00 0.04 0.00 0.00 61.00 63.25 3gpk s PRO 290 Cb 0.00 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.57 3gpk s PRO 290 CO 0.00 -0.34 -0.03 0.08 0.04 0.00 0.00 177.00 176.74 3gpk s VAL 291 N -1.18 3.68 0.24 -0.36 1.01 0.60 -4.90 120.40 119.50 3gpk s VAL 291 Ca 0.52 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 3gpk s VAL 291 Cb -0.40 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.24 3gpk s VAL 291 CO 0.53 0.45 1.18 -0.70 0.00 0.00 0.00 175.10 176.55 3gpk s GLU 292 N 0.97 4.53 0.29 2.72 2.12 -1.26 -1.24 118.70 126.82 3gpk s GLU 292 Ca 0.00 1.89 0.02 0.00 0.36 0.00 0.00 54.97 57.25 3gpk s GLU 292 Cb -0.15 -3.20 -0.05 0.00 0.26 0.00 0.00 34.13 31.00 3gpk s GLU 292 CO 0.01 0.01 0.11 0.96 -0.54 0.00 0.00 175.26 175.81 3gpk s ILE 293 N -0.61 0.56 0.22 -3.70 -4.36 0.02 -4.85 121.20 108.48 3gpk s ILE 293 Ca 0.49 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.79 3gpk s ILE 293 Cb -0.33 -2.60 0.22 0.00 1.25 0.00 0.00 42.46 41.00 3gpk s ILE 293 CO 0.40 0.00 1.66 0.03 0.24 0.00 0.00 174.94 177.27 3gpk h ARG 294 N 2.26 0.13 -0.26 0.37 3.08 -1.99 -2.56 114.38 115.42 3gpk h ARG 294 Ca -0.37 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3gpk h ARG 294 Cb 1.25 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3gpk h ARG 294 CO 0.59 0.09 0.00 0.41 -1.07 0.00 0.00 179.97 179.98 3gpk n GLY 295 N -1.37 0.67 0.00 0.04 0.00 -1.26 -4.93 105.19 98.33 3gpk n GLY 295 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3gpk n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpk n GLY 296 N 1.19 -0.29 3.02 -0.02 0.00 -0.96 -0.82 105.19 107.31 3gpk n GLY 296 Ca 0.16 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 3gpk n GLY 296 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gpk s PHE 297 N -1.82 0.55 0.06 1.61 0.08 -0.14 -0.80 117.98 117.52 3gpk s PHE 297 Ca 0.00 -0.37 0.06 0.00 0.12 0.00 0.00 56.93 56.74 3gpk s PHE 297 Cb 0.00 -0.34 -0.03 0.00 -0.57 0.00 0.00 43.02 42.09 3gpk s PHE 297 CO 0.00 -0.07 -0.17 -1.12 -0.10 0.00 0.00 175.22 173.76 3gpk s SER 298 N -1.12 2.01 -0.13 1.36 0.01 -0.37 -0.56 113.70 114.91 3gpk s SER 298 Ca -0.07 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.66 3gpk s SER 298 Cb -0.07 -0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 3gpk s SER 298 CO 0.00 0.05 -0.14 -0.63 0.41 0.00 0.00 173.24 172.94 3gpk s ILE 299 N -0.95 3.01 0.14 1.44 1.01 -0.17 -0.29 121.20 125.39 3gpk s ILE 299 Ca 0.03 -0.68 0.08 0.00 0.00 0.00 0.00 60.65 60.08 3gpk s ILE 299 Cb -0.09 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 3gpk s ILE 299 CO 0.02 0.53 -0.09 -0.76 0.00 0.00 0.00 174.94 174.63 3gpk s LEU 300 N 0.32 3.02 -0.12 2.97 1.43 -0.08 -1.55 118.68 124.67 3gpk s LEU 300 Ca -0.11 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 3gpk s LEU 300 Cb -0.16 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.34 3gpk s LEU 300 CO 0.06 0.14 0.03 -0.47 0.23 0.00 0.00 176.35 176.33 3gpk s TYR 301 N -1.45 0.69 -0.91 0.29 5.04 -0.25 -0.75 117.35 120.02 3gpk s TYR 301 Ca 0.23 -0.38 -0.22 0.00 -2.44 0.00 0.00 57.07 54.25 3gpk s TYR 301 Cb -0.10 -0.84 0.07 0.00 0.35 0.00 0.00 41.96 41.44 3gpk s TYR 301 CO 0.15 -0.43 1.28 -1.17 -1.34 0.00 0.00 175.55 174.03 3gpk s LEU 302 N 1.97 3.96 0.07 6.97 2.96 -0.72 -0.51 118.68 133.37 3gpk s LEU 302 Ca 0.03 -1.39 -0.19 0.00 -0.22 0.00 0.00 54.13 52.36 3gpk s LEU 302 Cb -0.14 -2.51 -0.11 0.00 0.50 0.00 0.00 46.19 43.93 3gpk s LEU 302 CO -0.06 -1.44 1.41 0.40 -1.32 0.00 0.00 176.35 175.34 3gpk h ILE 303 N 6.33 1.31 -3.48 6.68 2.04 -1.38 0.23 117.51 129.23 3gpk h ILE 303 Ca 0.06 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.64 3gpk h ILE 303 Cb 1.03 1.67 -0.10 0.00 -0.74 0.00 0.00 36.82 38.67 3gpk h ILE 303 CO 1.29 0.38 -0.07 -0.62 0.00 0.00 0.00 178.15 179.13 3gpk s ASP 304 N -6.17 -0.16 -0.21 1.72 -1.08 -1.00 -4.63 116.67 105.14 3gpk s ASP 304 Ca -0.14 -0.67 -0.19 0.00 -0.52 0.00 0.00 52.55 51.04 3gpk s ASP 304 Cb 0.07 0.56 0.05 0.00 -1.46 0.00 0.00 42.92 42.14 3gpk s ASP 304 CO 0.77 -1.05 0.55 -0.75 0.52 0.00 0.00 175.17 175.20 3gpk s LYS 305 N -3.93 0.64 0.03 4.34 2.20 -1.26 -1.14 119.74 120.62 3gpk s LYS 305 Ca 0.14 0.77 -0.09 0.00 -0.36 0.00 0.00 55.97 56.43 3gpk s LYS 305 Cb -0.00 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 3gpk s LYS 305 CO 0.01 -0.08 0.19 -0.98 -0.36 0.00 0.00 175.35 174.13 3gpk s ARG 306 N 0.33 0.67 0.32 4.03 1.70 -0.94 -5.02 118.95 120.05 3gpk s ARG 306 Ca -0.00 -0.60 -0.12 0.00 -0.47 0.00 0.00 55.73 54.54 3gpk s ARG 306 Cb -0.04 0.28 0.02 0.00 -0.57 0.00 0.00 34.95 34.64 3gpk s ARG 306 CO 0.00 -0.19 0.61 -1.83 -1.08 0.00 0.00 175.30 172.81 3gpk s GLU 307 N -2.42 1.88 0.00 3.89 -1.05 -1.26 -0.90 118.70 118.84 3gpk s GLU 307 Ca -0.06 -1.39 0.00 0.00 -0.15 0.00 0.00 54.97 53.36 3gpk s GLU 307 Cb -0.02 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 3gpk s GLU 307 CO -0.03 -0.83 0.00 0.41 0.95 0.00 0.00 175.26 175.76 3gpk n GLY 308 N -0.48 4.38 0.04 -3.83 0.00 -1.26 -4.94 105.19 99.09 3gpk n GLY 308 Ca -0.03 -1.25 0.13 0.00 0.00 0.00 0.00 46.02 44.87 3gpk n GLY 308 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gpk n HIS 309 N -1.40 0.36 -4.12 1.61 8.25 -1.26 -4.79 115.22 113.87 3gpk n HIS 309 Ca 0.00 0.10 -0.27 0.00 -0.26 0.00 0.00 57.72 57.29 3gpk n HIS 309 Cb 0.00 -0.62 -0.17 0.00 1.12 0.00 0.00 29.99 30.32 3gpk n HIS 309 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3gpk s HIS 310 N -3.05 1.62 0.36 4.41 3.76 -1.26 -5.03 115.29 116.09 3gpk s HIS 310 Ca 0.12 -0.78 0.10 0.00 -0.15 0.00 0.00 55.06 54.35 3gpk s HIS 310 Cb 0.16 -1.26 0.68 0.00 1.11 0.00 0.00 32.58 33.26 3gpk s HIS 310 CO 0.60 -0.48 1.82 1.25 -0.85 0.00 0.00 174.74 177.08 3gpk h HIS 311 N 7.83 0.13 0.00 1.40 2.76 -1.96 -2.95 115.15 122.35 3gpk h HIS 311 Ca -0.31 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.83 3gpk h HIS 311 Cb 1.15 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.07 3gpk h HIS 311 CO 0.48 0.43 0.00 -2.39 -1.30 0.00 0.00 177.93 175.15 3gpk n HIS 312 N -4.13 0.00 0.66 5.26 1.44 -1.26 -2.72 115.22 114.47 3gpk n HIS 312 Ca -0.02 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.82 3gpk n HIS 312 Cb 0.39 -0.22 0.31 0.00 0.12 0.00 0.00 29.99 30.59 3gpk n HIS 312 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3gpk n HIS 313 N -1.22 0.64 1.19 -1.40 -0.00 -1.11 -5.28 115.22 108.03 3gpk n HIS 313 Ca 0.10 0.19 0.13 0.00 -0.00 0.00 0.00 57.72 58.14 3gpk n HIS 313 Cb 0.13 -0.74 0.26 0.00 -0.00 0.00 0.00 29.99 29.64 3gpk n HIS 313 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06