#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fyl n PRO 195 N 0.00 1.28 -0.28 -0.14 -0.04 -1.26 -4.90 135.00 129.65 1fyl n PRO 195 Ca 0.00 0.48 -0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1fyl n PRO 195 Cb 0.00 -2.37 0.13 0.00 -0.04 0.00 0.00 33.50 31.22 1fyl n PRO 195 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fyl h ALA 196 N 0.95 1.08 -0.54 0.55 0.00 -2.06 -2.68 119.26 116.57 1fyl h ALA 196 Ca -0.49 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.51 1fyl h ALA 196 Cb 1.33 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1fyl h ALA 196 CO 0.54 0.20 0.09 0.35 0.00 0.00 0.00 179.25 180.43 1fyl h PHE 197 N 0.88 0.13 -0.45 0.00 3.57 -1.99 -0.47 116.94 118.61 1fyl h PHE 197 Ca 0.35 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.96 1fyl h PHE 197 Cb 0.17 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.87 1fyl h PHE 197 CO -0.05 -0.04 0.07 0.28 -2.23 0.00 0.00 178.31 176.34 1fyl h VAL 198 N 0.22 0.73 -0.68 1.41 2.07 -1.85 0.30 116.25 118.45 1fyl h VAL 198 Ca 0.27 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.80 1fyl h VAL 198 Cb 0.40 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1fyl h VAL 198 CO -0.38 0.04 0.37 0.78 0.02 0.00 0.00 177.57 178.40 1fyl h ASN 199 N 0.19 0.53 0.20 0.57 2.35 -1.18 -1.42 115.58 116.82 1fyl h ASN 199 Ca 0.22 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1fyl h ASN 199 Cb 0.30 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1fyl h ASN 199 CO -0.31 0.34 -0.10 0.50 -1.65 0.00 0.00 177.43 176.21 1fyl h LYS 200 N 0.67 -0.26 -0.86 0.81 3.64 0.50 -2.46 116.57 118.60 1fyl h LYS 200 Ca 0.31 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.81 1fyl h LYS 200 Cb 0.23 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1fyl h LYS 200 CO -0.20 -0.10 0.56 1.25 -2.27 0.00 0.00 179.45 178.68 1fyl h LEU 201 N -0.36 0.75 0.37 5.20 5.85 -0.18 -2.87 115.31 124.08 1fyl h LEU 201 Ca -0.03 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1fyl h LEU 201 Cb 0.28 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1fyl h LEU 201 CO 0.05 0.44 -0.18 -0.50 -0.34 0.00 0.00 178.44 177.91 1fyl h TRP 202 N 0.83 -0.46 0.00 1.25 6.55 -1.12 -0.10 115.95 122.90 1fyl h TRP 202 Ca 0.40 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.23 1fyl h TRP 202 Cb 0.43 0.15 0.00 0.00 -0.86 0.00 0.00 29.16 28.88 1fyl h TRP 202 CO -0.00 -0.16 0.00 -1.13 -1.05 0.00 0.00 178.44 176.10 1fyl n SER 203 N -5.20 0.00 0.00 -3.49 3.41 -0.94 -0.56 113.62 106.83 1fyl n SER 203 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1fyl n SER 203 Cb 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1fyl n SER 203 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1fyl n VAL 205 N 0.50 0.00 0.19 -3.33 0.31 -0.05 -0.84 118.33 115.10 1fyl n VAL 205 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 1fyl n VAL 205 Cb 0.00 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.04 1fyl n VAL 205 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1fyl h ASN 206 N 0.00 0.00 -2.55 4.52 2.35 -1.08 -3.42 115.58 115.39 1fyl h ASN 206 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 1fyl h ASN 206 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1fyl h ASN 206 CO 0.00 0.11 1.14 -0.62 -1.65 0.00 0.00 177.43 176.41 1fyl s ASP 207 N -6.13 6.52 0.54 5.81 -1.08 -0.02 -4.87 116.67 117.43 1fyl s ASP 207 Ca 0.05 2.21 0.36 0.00 -0.52 0.00 0.00 52.55 54.66 1fyl s ASP 207 Cb 0.06 -2.53 1.92 0.00 -1.46 0.00 0.00 42.92 40.91 1fyl s ASP 207 CO 0.70 -1.06 2.11 0.07 0.52 0.00 0.00 175.17 177.51 1fyl h LYS 208 N 10.22 0.00 0.00 4.34 2.10 -1.90 -0.57 116.57 130.77 1fyl h LYS 208 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1fyl h LYS 208 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1fyl h LYS 208 CO 0.96 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 177.28 1fyl n SER 209 N -2.80 0.18 -0.11 7.07 3.41 -1.26 -2.53 113.62 117.58 1fyl n SER 209 Ca -0.02 0.54 0.05 0.00 -0.26 0.00 0.00 58.87 59.18 1fyl n SER 209 Cb 0.09 -0.58 -0.04 0.00 -0.26 0.00 0.00 64.21 63.42 1fyl n SER 209 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1fyl n ASN 210 N -1.70 0.86 -0.37 4.04 3.02 -0.22 -4.75 115.26 116.14 1fyl n ASN 210 Ca 0.04 -0.93 0.33 0.00 -0.03 0.00 0.00 54.58 53.99 1fyl n ASN 210 Cb 0.21 0.78 0.60 0.00 -0.61 0.00 0.00 39.78 40.76 1fyl n ASN 210 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1fyl h GLU 211 N 0.54 0.06 0.00 3.52 4.22 -1.48 0.10 114.58 121.55 1fyl h GLU 211 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1fyl h GLU 211 Cb 0.32 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1fyl h GLU 211 CO 0.00 0.04 0.00 0.87 -2.18 0.00 0.00 179.01 177.74 1fyl h LYS 212 N 0.06 0.00 0.00 1.92 1.57 -1.85 -3.32 116.57 114.95 1fyl h LYS 212 Ca 0.83 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.50 1fyl h LYS 212 Cb 2.32 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.61 1fyl h LYS 212 CO -0.63 0.00 -1.45 1.19 -0.57 0.00 0.00 179.45 177.99 1fyl n PHE 213 N -2.55 0.00 -3.69 -1.35 3.72 0.23 -4.84 117.46 108.98 1fyl n PHE 213 Ca 0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.32 1fyl n PHE 213 Cb 0.30 -0.32 -0.10 0.00 -0.94 0.00 0.00 39.48 38.41 1fyl n PHE 213 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1fyl s ILE 214 N -2.16 -0.02 0.22 4.37 2.07 -0.53 -3.88 121.20 121.27 1fyl s ILE 214 Ca -0.03 0.07 -0.22 0.00 -1.41 0.00 0.00 60.65 59.05 1fyl s ILE 214 Cb 0.02 -0.66 0.05 0.00 0.13 0.00 0.00 42.46 41.99 1fyl s ILE 214 CO 0.27 0.03 0.66 -1.38 -1.91 0.00 0.00 174.94 172.60 1fyl s HIS 215 N 1.24 -0.37 0.71 3.50 -3.43 -0.75 -3.95 115.29 112.25 1fyl s HIS 215 Ca -0.08 0.04 -0.11 0.00 -0.80 0.00 0.00 55.06 54.11 1fyl s HIS 215 Cb -0.07 0.63 0.02 0.00 -1.43 0.00 0.00 32.58 31.73 1fyl s HIS 215 CO -0.12 -1.04 1.07 -1.58 -2.00 0.00 0.00 174.74 171.08 1fyl s TRP 216 N -3.83 2.92 0.69 0.38 0.52 -1.26 -0.21 118.94 118.15 1fyl s TRP 216 Ca 0.06 1.47 -0.11 0.00 0.02 0.00 0.00 56.10 57.54 1fyl s TRP 216 Cb -0.03 -2.95 0.00 0.00 -1.15 0.00 0.00 33.47 29.34 1fyl s TRP 216 CO -0.03 -1.42 1.08 -1.54 0.02 0.00 0.00 176.95 175.06 1fyl s SER 217 N -3.56 5.59 0.61 2.95 1.04 -0.16 -4.75 113.70 115.42 1fyl s SER 217 Ca 0.60 1.17 0.29 0.00 0.48 0.00 0.00 55.95 58.49 1fyl s SER 217 Cb -0.15 -2.02 1.57 0.00 0.10 0.00 0.00 66.02 65.52 1fyl s SER 217 CO 0.54 -1.25 1.97 0.71 0.98 0.00 0.00 173.24 176.18 1fyl h THR 218 N -0.59 0.32 -0.00 2.02 1.35 -1.96 0.84 112.91 114.88 1fyl h THR 218 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1fyl h THR 218 Cb 1.24 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1fyl h THR 218 CO 0.63 0.00 -0.51 -1.54 -0.25 0.00 0.00 175.52 173.86 1fyl n SER 219 N -3.56 0.98 0.00 5.36 3.41 -1.26 -4.93 113.62 113.62 1fyl n SER 219 Ca 0.04 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 1fyl n SER 219 Cb 0.50 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 1fyl n SER 219 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fyl n GLY 220 N 1.44 0.24 0.17 5.00 0.00 0.29 -4.79 105.19 107.53 1fyl n GLY 220 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 1fyl n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fyl h GLU 221 N 0.72 0.20 -5.38 1.61 4.39 -1.92 -3.44 114.58 110.75 1fyl h GLU 221 Ca 0.00 -0.13 -0.48 0.00 0.34 0.00 0.00 59.36 59.09 1fyl h GLU 221 Cb 0.05 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 28.58 1fyl h GLU 221 CO 0.00 0.72 -0.65 -1.54 -1.16 0.00 0.00 179.01 176.38 1fyl s SER 222 N -6.89 2.60 -0.22 1.42 1.04 -1.26 -4.10 113.70 106.29 1fyl s SER 222 Ca -0.04 -1.26 -0.06 0.00 0.48 0.00 0.00 55.95 55.08 1fyl s SER 222 Cb 0.12 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 1fyl s SER 222 CO 0.79 -0.45 0.02 -0.63 0.98 0.00 0.00 173.24 173.95 1fyl s ILE 223 N -3.13 3.99 -0.15 -1.02 1.01 -0.23 -0.99 121.20 120.69 1fyl s ILE 223 Ca 0.32 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.63 1fyl s ILE 223 Cb 0.06 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 1fyl s ILE 223 CO 0.13 0.40 0.00 -0.69 0.00 0.00 0.00 174.94 174.78 1fyl s VAL 224 N 1.26 4.26 -0.53 2.92 1.01 0.71 -1.10 120.40 128.93 1fyl s VAL 224 Ca 0.04 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1fyl s VAL 224 Cb -0.15 -2.86 0.13 0.00 0.00 0.00 0.00 36.38 33.51 1fyl s VAL 224 CO 0.02 0.51 0.28 -0.69 0.00 0.00 0.00 175.10 175.22 1fyl s VAL 225 N 0.05 2.57 0.56 2.92 1.01 0.45 -1.80 120.40 126.16 1fyl s VAL 225 Ca 0.02 -3.38 0.27 0.00 0.00 0.00 0.00 61.98 58.89 1fyl s VAL 225 Cb -0.13 -2.78 0.39 0.00 0.00 0.00 0.00 36.38 33.86 1fyl s VAL 225 CO 0.02 -0.82 1.98 -0.65 0.00 0.00 0.00 175.10 175.63 1fyl h PRO 226 N 6.41 0.00 -2.03 2.72 0.11 -1.80 -1.03 132.00 136.37 1fyl h PRO 226 Ca -0.06 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.77 1fyl h PRO 226 Cb 0.88 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.67 1fyl h PRO 226 CO 0.68 0.00 -0.61 1.21 -0.21 0.00 0.00 178.00 179.08 1fyl s ASN 227 N -5.78 1.29 0.16 -2.05 3.84 -1.24 -4.26 114.94 106.90 1fyl s ASN 227 Ca -0.05 -0.62 -0.23 0.00 0.21 0.00 0.00 52.86 52.17 1fyl s ASN 227 Cb 0.17 0.68 0.06 0.00 -0.55 0.00 0.00 41.25 41.61 1fyl s ASN 227 CO 0.63 -0.38 1.60 -0.09 -2.79 0.00 0.00 177.10 176.08 1fyl h ARG 228 N 8.23 -0.24 -0.29 0.43 2.43 -1.06 -1.27 114.38 122.62 1fyl h ARG 228 Ca -0.12 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1fyl h ARG 228 Cb 1.09 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.64 1fyl h ARG 228 CO 0.31 -0.16 -0.05 0.93 -1.51 0.00 0.00 179.97 179.49 1fyl h GLU 229 N -0.25 0.02 -0.27 0.20 5.08 -1.95 0.82 114.58 118.22 1fyl h GLU 229 Ca 0.17 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1fyl h GLU 229 Cb 0.53 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1fyl h GLU 229 CO -0.53 0.01 0.17 0.00 -1.00 0.00 0.00 179.01 177.66 1fyl h ARG 230 N 0.02 0.36 -0.35 2.33 2.47 -1.92 -1.92 114.38 115.37 1fyl h ARG 230 Ca 0.14 -0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.87 1fyl h ARG 230 Cb 0.21 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.41 1fyl h ARG 230 CO -0.28 0.27 0.13 0.35 0.56 0.00 0.00 179.97 181.00 1fyl h PHE 231 N 0.35 0.24 -0.42 3.04 3.57 -0.70 0.18 116.94 123.20 1fyl h PHE 231 Ca 0.10 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1fyl h PHE 231 Cb -0.00 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1fyl h PHE 231 CO -0.05 0.11 0.23 0.28 -2.23 0.00 0.00 178.31 176.65 1fyl h VAL 232 N 0.29 1.02 -0.04 1.41 2.07 -0.71 -1.58 116.25 118.71 1fyl h VAL 232 Ca 0.16 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1fyl h VAL 232 Cb 0.11 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1fyl h VAL 232 CO -0.15 0.09 -0.32 -0.61 0.02 0.00 0.00 177.57 176.60 1fyl h GLN 233 N 0.47 0.28 0.03 1.57 4.15 -1.07 -3.36 115.11 117.18 1fyl h GLN 233 Ca 0.17 -0.25 -0.13 0.00 0.77 0.00 0.00 58.65 59.21 1fyl h GLN 233 Cb 0.04 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1fyl h GLN 233 CO -0.09 0.92 -0.66 0.93 -1.93 0.00 0.00 178.83 178.00 1fyl h GLU 234 N -0.28 0.06 0.00 1.69 4.39 -0.68 -3.42 114.58 116.33 1fyl h GLU 234 Ca -0.03 -0.10 -0.15 0.00 0.34 0.00 0.00 59.36 59.42 1fyl h GLU 234 Cb 1.01 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 1fyl h GLU 234 CO 0.06 1.05 -1.00 0.28 -1.16 0.00 0.00 179.01 178.24 1fyl n VAL 235 N -4.42 1.49 -0.26 3.13 0.31 -0.67 -4.54 118.33 113.37 1fyl n VAL 235 Ca -0.19 0.06 0.08 0.00 -0.01 0.00 0.00 64.34 64.27 1fyl n VAL 235 Cb 0.63 -2.18 0.21 0.00 -0.91 0.00 0.00 33.84 31.59 1fyl n VAL 235 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1fyl h LEU 236 N -1.00 0.01 -2.46 7.52 3.38 -1.50 -0.86 115.31 120.38 1fyl h LEU 236 Ca -0.22 0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1fyl h LEU 236 Cb 1.00 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1fyl h LEU 236 CO -0.13 -0.07 0.13 -0.65 0.09 0.00 0.00 178.44 177.80 1fyl h PRO 237 N 0.26 0.00 0.00 1.13 0.11 -1.76 0.98 132.00 132.72 1fyl h PRO 237 Ca 0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.53 1fyl h PRO 237 Cb 0.82 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 1fyl h PRO 237 CO -0.55 0.00 -0.18 0.87 -0.21 0.00 0.00 178.00 177.93 1fyl h LYS 238 N 0.00 0.00 0.00 1.05 1.57 -1.39 -3.36 116.57 114.44 1fyl h LYS 238 Ca 0.03 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 1fyl h LYS 238 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1fyl h LYS 238 CO -0.00 0.18 -1.54 0.66 -0.57 0.00 0.00 179.45 178.17 1fyl n TYR 239 N -3.22 0.00 -4.24 -1.35 4.02 -0.24 -5.05 117.16 107.09 1fyl n TYR 239 Ca 0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.70 1fyl n TYR 239 Cb 0.50 -0.39 -0.12 0.00 -0.02 0.00 0.00 39.34 39.31 1fyl n TYR 239 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1fyl s PHE 240 N -2.19 1.51 -0.36 -0.72 0.08 0.17 -5.02 117.98 111.45 1fyl s PHE 240 Ca -0.05 -0.46 0.26 0.00 0.12 0.00 0.00 56.93 56.80 1fyl s PHE 240 Cb 0.02 -0.83 0.62 0.00 -0.57 0.00 0.00 43.02 42.27 1fyl s PHE 240 CO 0.31 0.15 1.71 0.87 -0.10 0.00 0.00 175.22 178.16 1fyl h LYS 241 N 4.02 0.00 0.13 0.44 1.57 -1.86 -3.25 116.57 117.61 1fyl h LYS 241 Ca -0.43 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.00 1fyl h LYS 241 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1fyl h LYS 241 CO 0.42 0.00 -1.88 0.45 -0.57 0.00 0.00 179.45 177.88 1fyl h HIS 242 N 0.00 0.50 -0.99 -1.35 3.86 -1.95 -3.49 115.15 111.73 1fyl h HIS 242 Ca 0.00 -0.36 -0.29 0.00 -1.16 0.00 0.00 60.37 58.56 1fyl h HIS 242 Cb 0.85 -0.02 -0.11 0.00 1.06 0.00 0.00 27.41 29.19 1fyl h HIS 242 CO 0.00 1.74 -0.26 0.43 0.86 0.00 0.00 177.93 180.70 1fyl n SER 243 N -3.59 -4.51 -4.75 2.45 7.64 -1.23 -4.98 113.62 104.65 1fyl n SER 243 Ca -0.30 0.35 -0.27 0.00 1.01 0.00 0.00 58.87 59.65 1fyl n SER 243 Cb 1.02 -3.83 -0.06 0.00 -1.01 0.00 0.00 64.21 60.33 1fyl n SER 243 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1fyl s ASN 244 N -2.29 5.26 0.24 6.43 2.20 -1.26 -4.61 114.94 120.91 1fyl s ASN 244 Ca 0.00 -0.20 -0.07 0.00 -0.94 0.00 0.00 52.86 51.66 1fyl s ASN 244 Cb 0.00 -1.30 0.22 0.00 -2.00 0.00 0.00 41.25 38.17 1fyl s ASN 244 CO 0.00 0.10 1.88 0.15 -2.94 0.00 0.00 177.10 176.29 1fyl h PHE 245 N 2.68 1.22 0.02 1.54 3.57 -1.94 -2.36 116.94 121.67 1fyl h PHE 245 Ca -0.47 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.05 1fyl h PHE 245 Cb 1.19 -0.40 -0.05 0.00 2.79 0.00 0.00 35.95 39.48 1fyl h PHE 245 CO 0.60 0.81 -0.34 0.00 -2.23 0.00 0.00 178.31 177.15 1fyl h ALA 246 N 1.31 -0.53 -0.12 2.41 0.00 -1.99 0.36 119.26 120.70 1fyl h ALA 246 Ca 0.33 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1fyl h ALA 246 Cb -0.06 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1fyl h ALA 246 CO -0.06 -0.87 -0.12 0.77 0.00 0.00 0.00 179.25 178.97 1fyl h SER 247 N -0.51 -0.38 -0.16 0.00 0.02 -1.97 -0.70 113.55 109.86 1fyl h SER 247 Ca 0.05 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.13 1fyl h SER 247 Cb 0.59 0.19 -0.06 0.00 0.14 0.00 0.00 62.40 63.25 1fyl h SER 247 CO -0.27 -0.16 -0.24 0.15 -1.14 0.00 0.00 176.83 175.17 1fyl h PHE 248 N -0.15 -0.63 -0.40 3.45 3.57 -0.84 -1.39 116.94 120.56 1fyl h PHE 248 Ca 0.09 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1fyl h PHE 248 Cb 0.27 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1fyl h PHE 248 CO -0.24 -0.32 0.25 0.28 -2.23 0.00 0.00 178.31 176.06 1fyl h VAL 249 N -0.28 1.08 -0.35 1.41 2.07 -0.04 -0.01 116.25 120.12 1fyl h VAL 249 Ca 0.11 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.53 1fyl h VAL 249 Cb 0.45 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 30.65 1fyl h VAL 249 CO -0.32 0.09 -0.29 0.03 0.02 0.00 0.00 177.57 177.11 1fyl h ARG 250 N 0.52 -0.23 -0.30 1.57 3.08 -0.71 0.84 114.38 119.15 1fyl h ARG 250 Ca 0.15 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.27 1fyl h ARG 250 Cb -0.04 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 1fyl h ARG 250 CO -0.05 -0.15 0.02 1.96 -1.07 0.00 0.00 179.97 180.68 1fyl h GLN 251 N -0.24 0.11 -0.31 0.04 1.08 -0.70 -2.66 115.11 112.43 1fyl h GLN 251 Ca 0.17 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.43 1fyl h GLN 251 Cb 0.51 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.85 1fyl h GLN 251 CO -0.49 0.07 -0.12 -0.07 -0.95 0.00 0.00 178.83 177.28 1fyl h LEU 252 N 0.11 -0.41 -1.93 1.46 3.38 0.20 -2.73 115.31 115.40 1fyl h LEU 252 Ca 0.14 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1fyl h LEU 252 Cb 0.18 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1fyl h LEU 252 CO -0.22 -0.15 0.00 0.59 0.09 0.00 0.00 178.44 178.75 1fyl n ASN 253 N -5.30 0.03 0.00 -0.43 5.03 0.17 -0.82 115.26 113.95 1fyl n ASN 253 Ca 0.00 -0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.43 1fyl n ASN 253 Cb 0.21 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 38.97 1fyl n ASN 253 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1fyl n TYR 255 N 0.96 0.00 0.00 3.10 4.01 -1.03 -4.20 117.16 120.00 1fyl n TYR 255 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1fyl n TYR 255 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1fyl n TYR 255 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fyl n GLY 256 N 0.00 2.53 3.76 2.72 0.00 -1.11 -5.08 105.19 108.01 1fyl n GLY 256 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1fyl n GLY 256 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1fyl s TRP 257 N -2.60 3.50 0.07 1.61 0.52 0.00 -4.50 118.94 117.54 1fyl s TRP 257 Ca 0.00 0.59 0.04 0.00 0.02 0.00 0.00 56.10 56.75 1fyl s TRP 257 Cb 0.00 -2.26 -0.03 0.00 -1.15 0.00 0.00 33.47 30.03 1fyl s TRP 257 CO 0.00 0.35 -0.11 -1.01 0.02 0.00 0.00 176.95 176.20 1fyl s HIS 258 N 0.10 1.04 0.34 -1.98 3.76 -0.89 -2.39 115.29 115.27 1fyl s HIS 258 Ca 0.16 -0.52 -0.29 0.00 -0.15 0.00 0.00 55.06 54.26 1fyl s HIS 258 Cb -0.13 -0.58 -0.11 0.00 1.11 0.00 0.00 32.58 32.87 1fyl s HIS 258 CO 0.04 0.01 1.41 0.21 -0.85 0.00 0.00 174.74 175.56 1fyl s LYS 259 N -1.98 4.23 -0.05 1.40 2.20 -1.26 -1.36 119.74 122.91 1fyl s LYS 259 Ca -0.02 2.40 0.12 0.00 -0.36 0.00 0.00 55.97 58.11 1fyl s LYS 259 Cb -0.08 -3.03 -0.23 0.00 -1.51 0.00 0.00 37.83 32.98 1fyl s LYS 259 CO 0.01 -0.38 0.62 0.28 -0.36 0.00 0.00 175.35 175.53 1fyl n VAL 260 N 0.84 1.60 -0.06 4.02 0.31 0.93 -4.86 118.33 121.12 1fyl n VAL 260 Ca 0.01 -0.80 -0.13 0.00 -0.01 0.00 0.00 64.34 63.41 1fyl n VAL 260 Cb 0.40 -1.03 -0.04 0.00 -0.91 0.00 0.00 33.84 32.26 1fyl n VAL 260 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1fyl n ASP 273 N -3.04 1.18 0.01 4.52 5.75 -1.26 -5.08 116.55 118.63 1fyl n ASP 273 Ca -0.18 0.20 -0.02 0.00 -0.01 0.00 0.00 54.79 54.77 1fyl n ASP 273 Cb 1.06 -0.47 -0.10 0.00 -1.03 0.00 0.00 41.12 40.57 1fyl n ASP 273 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1fyl n SER 274 N -3.76 0.79 -4.48 -1.12 2.88 -1.26 -4.79 113.62 101.88 1fyl n SER 274 Ca -0.24 0.35 -0.36 0.00 -1.33 0.00 0.00 58.87 57.29 1fyl n SER 274 Cb 0.61 0.21 -0.12 0.00 -0.75 0.00 0.00 64.21 64.15 1fyl n SER 274 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1fyl s ARG 275 N -2.84 3.70 -0.01 -1.46 3.52 -1.26 -0.64 118.95 119.96 1fyl s ARG 275 Ca -0.04 -0.47 0.07 0.00 -0.13 0.00 0.00 55.73 55.16 1fyl s ARG 275 Cb 0.08 -3.23 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 1fyl s ARG 275 CO 0.82 -0.05 -0.22 -1.58 -0.81 0.00 0.00 175.30 173.45 1fyl s TRP 276 N 1.23 2.44 -0.05 5.12 0.52 -0.39 -5.01 118.94 122.81 1fyl s TRP 276 Ca 0.04 -0.35 -0.01 0.00 0.02 0.00 0.00 56.10 55.81 1fyl s TRP 276 Cb -0.14 -1.51 0.03 0.00 -1.15 0.00 0.00 33.47 30.69 1fyl s TRP 276 CO 0.03 0.07 0.01 -2.00 0.02 0.00 0.00 176.95 175.08 1fyl s GLU 277 N -0.83 0.37 -0.11 4.98 2.12 -1.26 -0.41 118.70 123.55 1fyl s GLU 277 Ca 0.11 0.13 -0.00 0.00 0.36 0.00 0.00 54.97 55.57 1fyl s GLU 277 Cb -0.10 -0.67 -0.02 0.00 0.26 0.00 0.00 34.13 33.59 1fyl s GLU 277 CO 0.01 -0.22 -0.10 -0.06 -0.54 0.00 0.00 175.26 174.34 1fyl s PHE 278 N 1.55 2.86 0.06 5.30 0.08 -0.26 -0.05 117.98 127.51 1fyl s PHE 278 Ca -0.02 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 56.70 1fyl s PHE 278 Cb -0.13 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 1fyl s PHE 278 CO -0.03 -0.04 -0.17 -2.00 -0.10 0.00 0.00 175.22 172.89 1fyl s GLU 279 N 0.03 2.05 0.00 0.44 -6.30 -0.46 -1.07 118.70 113.39 1fyl s GLU 279 Ca -0.03 -1.00 0.31 0.00 -2.50 0.00 0.00 54.97 51.75 1fyl s GLU 279 Cb -0.14 -2.20 1.66 0.00 0.00 0.00 0.00 34.13 33.45 1fyl s GLU 279 CO 0.04 0.53 2.09 -1.71 0.02 0.00 0.00 175.26 176.23