data_2l10_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2l10 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.754 0.312 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.11 -33.57 74.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.388 -175.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.995 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 21.1 m -77.48 -28.68 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.118 -175.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -82.81 -40.33 20.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.451 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.83 -32.67 72.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -64.22 -46.15 85.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.468 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 42.1 mt -64.63 -35.15 80.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.46 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -57.48 -52.37 65.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.982 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.78 -55.57 12.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.559 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.439 HG11 ' CE2' ' A' 1278 ' ' PHE . 88.6 t -59.5 -47.36 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 111.06 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -61.0 -49.98 72.62 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.477 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -61.63 -45.45 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.735 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.35 86.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.887 0.375 . . . . 0.0 110.274 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1220 ' ' SER . . . . . 0.408 ' HA ' HD21 ' A' 1282 ' ' LEU . 19.6 t -63.28 -38.71 92.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 14.1 mptt -77.98 -43.65 29.0 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1222 ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' 1222 ' ' ARG . 55.9 mtp180 -78.53 -24.38 45.73 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -174.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.72 ' HB3' HG23 ' A' 1286 ' ' VAL . 97.1 mt -97.79 -38.02 9.63 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.875 -176.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1224 ' ' LEU . . . . . 0.412 HD23 HG13 ' A' 1302 ' ' VAL . 82.8 mt . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.149 0.5 . . . . 0.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 12.9 mm100 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.66 0.267 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -67.41 -51.3 53.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.061 0.458 . . . . 0.0 109.907 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.34 80.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.178 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -57.16 -52.54 64.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.323 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1240 ' ' SER . . . . . 0.503 ' O ' ' HG3' ' A' 1244 ' ' GLU . 42.0 m -65.03 -40.22 94.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.652 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1241 ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' 1241 ' ' ARG . 19.6 ttp180 -63.25 -36.5 83.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.553 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 19.3 tp -65.52 -46.39 79.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.821 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -57.68 -45.13 86.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.692 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1244 ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' 1240 ' ' SER . 32.2 mt-10 -63.13 -40.85 98.81 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.253 0.549 . . . . 0.0 110.485 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.47 82.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.666 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.09 94.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.838 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.59 -35.33 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.309 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -74.49 -42.35 33.78 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.231 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.2 -31.82 72.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.799 0.333 . . . . 0.0 110.602 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -57.7 -39.46 77.26 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1251 ' ' GLN . . . . . 0.491 ' O ' ' HG3' ' A' 1255 ' ' GLU . 23.0 tt0 -76.31 -34.21 59.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.227 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.16 86.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.765 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.4 -38.38 87.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.267 0.556 . . . . 0.0 109.998 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 92.5 m -62.71 -36.46 83.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.846 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' 1251 ' ' GLN . 47.6 mt-10 -63.28 -40.26 96.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.948 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1256 ' ' LEU . . . . . 0.588 ' HB3' HD23 ' A' 1335 ' ' LEU . 35.2 mt -62.86 -36.87 84.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.757 0.313 . . . . 0.0 110.312 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 76.8 t -64.25 -52.0 61.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.057 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1258 ' ' GLN . . . . . 0.482 ' HG2' ' HA ' ' A' 1255 ' ' GLU . 4.6 pt20 -67.16 -36.49 81.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.973 0.416 . . . . 0.0 110.901 -177.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.03 62.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.702 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1260 ' ' SER . . . . . 0.439 ' HA ' HD22 ' A' 1267 ' ' LEU . 73.2 p -64.17 -24.33 67.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.064 0.459 . . . . 0.0 110.809 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -104.32 18.99 21.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.36 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.46 -91.15 0.97 Allowed Glycine 0 N--CA 1.44 -1.062 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 29.8 p -143.04 153.69 60.67 Favored Pre-proline 0 C--O 1.234 0.279 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1264 ' ' PRO . . . . . 0.539 ' HA ' HD13 ' A' 1267 ' ' LEU . 41.7 Cg_exo -60.04 -23.94 74.89 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.831 2.354 . . . . 0.0 111.986 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -74.28 -30.49 62.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -73.12 -40.75 64.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.539 HD13 ' HA ' ' A' 1264 ' ' PRO . 82.0 mt -55.47 -35.58 65.66 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.74 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.32 23.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.145 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -67.63 -32.32 72.94 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.809 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.04 97.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.861 174.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1271 ' ' SER . . . . . 0.552 ' OG ' ' HA ' ' A' 1209 ' ' VAL . 9.0 t -65.94 -45.73 80.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.458 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -60.54 -40.03 97.23 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.511 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -76.24 -44.67 36.38 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.755 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 72.3 t80 -53.39 -49.69 66.7 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 123.33 0.394 . . . . 0.0 111.045 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -65.04 -40.12 96.83 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -71.83 -46.01 59.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.549 0.214 . . . . 0.0 111.296 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.14 -31.28 69.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.437 . . . . 0.0 110.241 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.439 ' CE2' HG11 ' A' 1216 ' ' VAL . 81.2 t80 -56.29 -37.85 70.44 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.849 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 23.0 t -57.7 -51.4 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.036 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 32.0 m -59.13 -39.59 82.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.81 -51.4 67.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.668 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.575 ' O ' HG22 ' A' 1286 ' ' VAL . 26.4 tp -67.47 -41.89 83.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.162 -175.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.4 -32.59 70.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.64 0.257 . . . . 0.0 111.208 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -77.77 -42.13 35.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.881 0.372 . . . . 0.0 110.524 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.76 93.18 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.778 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.72 HG23 ' HB3' ' A' 1223 ' ' LEU . 24.4 t -67.49 -30.77 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 110.459 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.61 -50.86 69.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.703 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.536 ' HE3' ' HB2' ' A' 1353 ' ' CYS . 24.8 ptm -71.01 -28.39 64.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.606 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.06 82.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.009 0.433 . . . . 0.0 110.434 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -75.33 -10.81 84.46 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.363 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1291 ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -95.77 -2.0 48.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.63 -0.335 . . . . 0.0 110.819 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1292 ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -65.61 121.07 73.36 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.359 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1293 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 22.6 Cg_exo -65.67 -41.9 13.54 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 123.211 2.607 . . . . 0.0 112.888 -175.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 22.0 m -94.48 127.92 40.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1295 ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 11.1 pt20 -66.62 -26.36 67.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.571 0.224 . . . . 0.0 110.966 -177.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.55 -43.65 96.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.308 0.575 . . . . 0.0 109.568 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 35.9 t70 -73.47 -38.79 65.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.049 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.481 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 56.6 ttt180 -58.31 -48.87 79.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.042 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -65.68 -33.26 75.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.07 0.462 . . . . 0.0 110.449 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.05 -50.56 65.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.017 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.545 ' O ' ' HG ' ' A' 1305 ' ' LEU . 11.5 p -63.78 -33.66 63.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.783 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' 1298 ' ' ARG . 73.5 t -65.2 -37.4 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 110.633 175.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 36.9 m -61.85 -40.73 96.35 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.0 0.428 . . . . 0.0 110.231 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1304 ' ' ASN . . . . . 0.533 ' HB2' HD21 ' A' 1349 ' ' LEU . 29.5 m-20 -64.76 -42.8 94.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.929 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.5 mt -60.17 -39.42 86.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.432 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -61.98 -41.58 98.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.464 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.61 -46.91 65.34 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.415 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1308 ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' 1308 ' ' ILE . 0.0 OUTLIER -77.29 -34.27 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.403 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 62.7 m -62.89 -43.88 97.61 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.113 0.482 . . . . 0.0 110.969 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.658 ' HB3' ' HE2' ' A' 1314 ' ' LYS . 0.1 OUTLIER -68.55 -49.36 60.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.847 177.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.7 m -59.12 -39.13 81.37 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 12.4 p -67.22 -40.08 86.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.32 0.581 . . . . 0.0 110.084 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1313 ' ' SER . . . . . . . . . . . . . 49.7 m -61.8 -46.6 88.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.574 175.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.658 ' HE2' ' HB3' ' A' 1310 ' ' MET . 60.4 mttm -64.35 -33.74 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.863 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1315 ' ' LEU . . . . . 0.632 HD21 ' HA ' ' A' 1339 ' ' ALA . 26.2 tp -65.02 -46.96 79.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.587 ' O ' ' HG3' ' A' 1320 ' ' LYS . 79.3 mt -57.91 -38.89 76.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.387 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1317 ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.11 -34.72 72.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.171 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.57 70.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.554 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.26 87.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.127 0.489 . . . . 0.0 110.596 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1320 ' ' LYS . . . . . 0.995 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 8.0 mtpm? -58.98 -48.27 82.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.566 177.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -63.64 -33.11 74.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.577 HD11 ' HZ2' ' A' 1332 ' ' LYS . 28.4 tp -74.57 -16.7 60.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.417 . . . . 0.0 110.937 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 25.3 m -79.22 -30.29 43.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.028 0.442 . . . . 0.0 110.247 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 7.0 p -91.84 -26.7 18.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.63 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -121.66 72.74 31.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.065 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -82.46 -9.04 11.45 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.743 2.295 . . . . 0.0 112.326 -175.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1327 ' ' ALA . . . . . 0.559 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -97.19 2.34 50.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 -177.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 14.5 m -93.07 101.21 5.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.289 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1329 ' ' PRO . . . . . 0.559 ' HD3' ' O ' ' A' 1327 ' ' ALA . 18.1 Cg_exo -66.58 -32.47 38.81 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.001 2.468 . . . . 0.0 112.777 -175.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 8.8 t30 -66.77 -31.08 71.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.639 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1331 ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' 1322 ' ' LEU . 21.0 tp -68.75 -25.01 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.724 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.577 ' HZ2' HD11 ' A' 1322 ' ' LEU . 3.7 mptp? -63.71 -45.38 90.23 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.227 0.537 . . . . 0.0 109.606 174.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 22.3 m -68.73 -35.43 77.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.263 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -65.39 -39.47 92.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 0.0 109.944 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1335 ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' 1256 ' ' LEU . 8.2 tt -63.38 -48.74 76.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.718 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.5 -37.8 76.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.54 83.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.985 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.466 ' O ' HG21 ' A' 1342 ' ' VAL . . . -66.55 -38.76 87.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1339 ' ' ALA . . . . . 0.632 ' HA ' HD21 ' A' 1315 ' ' LEU . . . -63.83 -38.35 90.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.173 0.511 . . . . 0.0 110.457 177.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -37.66 88.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.059 176.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.17 84.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.79 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' 1346 ' ' ILE . 96.4 t -58.71 -51.47 71.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.939 0.399 . . . . 0.0 110.363 177.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 23.4 m -60.0 -37.07 78.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.702 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.88 -47.38 83.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.774 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 45.7 m -65.23 -37.8 88.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' 1342 ' ' VAL . 91.2 mt -58.25 -54.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.007 0.432 . . . . 0.0 109.912 176.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -62.41 -33.59 75.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.261 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.67 -47.27 86.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.452 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' 1304 ' ' ASN . 2.7 tm? -71.27 -37.7 71.89 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' 1346 ' ' ILE . 33.0 mm -65.71 -36.67 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.171 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 41.5 m -66.59 -34.66 78.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.934 0.397 . . . . 0.0 110.42 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 64.3 mtt -80.31 -27.87 38.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.807 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.536 ' HB2' ' HE3' ' A' 1288 ' ' MET . 13.0 p . . . . . 0 C--N 1.333 -0.135 0 CA-C-O 121.1 0.476 . . . . 0.0 109.883 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.4 -42.38 77.86 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.632 0.253 . . . . 0.0 111.667 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.527 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 34.3 m -71.25 -22.57 22.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.919 0.39 . . . . 0.0 110.697 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -80.82 -48.59 12.22 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.053 0.454 . . . . 0.0 110.064 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 39.6 t30 -62.15 -37.22 84.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.075 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -56.21 -36.52 68.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.317 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1213 ' ' LEU . . . . . 0.542 HD13 ' HD2' ' A' 1320 ' ' LYS . 38.7 mt -66.49 -36.3 82.39 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.089 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -60.41 -38.08 82.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.41 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1215 ' ' ALA . . . . . 0.403 ' HB1' ' OG ' ' A' 1279 ' ' SER . . . -69.88 -44.85 68.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.104 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.539 HG13 ' CE2' ' A' 1278 ' ' PHE . 67.7 t -70.51 -47.54 64.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.574 -177.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -65.4 -47.47 78.77 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.089 -0.576 . . . . 0.0 112.799 -176.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1218 ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' 1222 ' ' ARG . 31.3 t70 -65.49 -35.46 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.191 -0.203 . . . . 0.0 111.011 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.67 84.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.991 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 33.8 m -62.53 -42.02 99.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.214 0.53 . . . . 0.0 110.495 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -66.67 -40.15 88.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.19 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1222 ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' 1218 ' ' ASP . 0.2 OUTLIER -73.57 -47.52 39.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.094 -175.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.466 HD13 ' HG ' ' A' 1282 ' ' LEU . 62.8 mt -84.44 -25.86 28.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -169.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--N 1.325 -0.5 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.617 -176.591 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.469 0.478 0 CA-C-O 120.439 0.161 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.83 -31.42 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.878 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.96 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.308 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -71.86 -42.12 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.161 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 16.7 m -59.8 -35.09 73.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.962 0.411 . . . . 0.0 110.482 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -72.12 -46.72 55.47 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.196 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.457 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 36.1 tp -60.06 -41.77 93.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.79 177.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -60.52 -36.64 78.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.86 -42.2 86.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.666 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -73.32 -35.51 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.919 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.91 63.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.434 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -58.44 -35.53 72.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.303 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -72.54 -43.63 43.8 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.26 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.7 tp -68.6 -30.55 69.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.672 0.272 . . . . 0.0 110.902 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -58.39 -40.59 82.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 0.0 110.477 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -76.14 -34.36 59.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.72 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1252 ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' 1255 ' ' GLU . . . -60.72 -34.1 73.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1253 ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' 1257 ' ' VAL . . . -69.92 -44.05 70.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.095 174.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.0 m -55.07 -36.15 65.29 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.693 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' 1252 ' ' ALA . 66.9 mm-40 -54.96 -50.09 69.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.245 175.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1256 ' ' LEU . . . . . 0.419 ' HB3' HD23 ' A' 1335 ' ' LEU . 64.2 mt -66.7 -32.58 73.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.964 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1257 ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' 1253 ' ' ALA . 57.9 t -63.66 -52.12 61.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.747 0.308 . . . . 0.0 111.03 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -70.31 -30.7 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.102 0.477 . . . . 0.0 110.474 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -72.26 -27.6 62.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1260 ' ' SER . . . . . 0.434 ' HB2' HD21 ' A' 1335 ' ' LEU . 28.1 t -56.53 -32.46 65.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.928 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1261 ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' 1261 ' ' ARG . 13.5 mtp180 -109.5 17.52 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -113.74 -99.17 2.33 Favored Glycine 0 N--CA 1.439 -1.156 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 13.1 p -140.88 160.26 59.11 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.543 0.211 . . . . 0.0 110.545 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1264 ' ' PRO . . . . . 0.605 ' HA ' HD11 ' A' 1267 ' ' LEU . 32.3 Cg_exo -60.59 -26.36 82.7 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.72 2.28 . . . . 0.0 111.938 174.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -70.96 -37.95 72.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.448 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -65.32 -44.32 88.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.748 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' 1264 ' ' PRO . 87.0 mt -54.22 -44.26 71.54 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.894 176.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -59.79 -54.99 39.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.54 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.58 -31.81 70.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.517 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -70.08 -43.83 70.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.722 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 46.7 m -58.21 -45.56 87.45 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.43 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.32 -44.74 96.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.718 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1273 ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' 1273 ' ' ARG . 28.1 mtm180 -73.37 -44.23 59.04 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.297 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1274 ' ' PHE . . . . . 0.501 ' HD2' HD22 ' A' 1316 ' ' LEU . 73.0 t80 -57.76 -41.84 82.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.729 -177.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -68.19 -42.89 82.49 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.632 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.2 -47.2 65.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.672 0.272 . . . . 0.0 110.989 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.52 -35.99 81.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.651 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.539 ' CE2' HG13 ' A' 1216 ' ' VAL . 74.4 t80 -62.59 -39.4 93.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.627 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1279 ' ' SER . . . . . 0.403 ' OG ' ' HB1' ' A' 1215 ' ' ALA . 22.0 m -57.24 -48.81 77.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.374 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 24.6 m -71.54 -37.77 71.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.691 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1281 ' ' PHE . . . . . 0.436 ' HE2' HG22 ' A' 1308 ' ' ILE . 80.9 t80 -57.5 -51.56 68.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.793 177.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.505 ' O ' HG22 ' A' 1286 ' ' VAL . 41.7 tp -64.12 -40.4 96.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.982 -177.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1283 ' ' GLU . . . . . 0.411 ' HA ' HD11 ' A' 1223 ' ' LEU . 37.7 mt-10 -57.71 -48.63 79.02 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.728 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -64.33 -34.56 78.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.929 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1285 ' ' GLY . . . . . 0.438 ' O ' ' HG2' ' A' 1288 ' ' MET . . . -64.24 -47.34 85.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.355 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' 1282 ' ' LEU . 7.5 t -74.43 -24.35 18.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.274 0.559 . . . . 0.0 109.904 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.27 -42.53 83.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.677 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.624 ' O ' ' HG2' ' A' 1291 ' ' GLN . 12.9 ptm -68.54 -24.9 64.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.042 0.449 . . . . 0.0 109.853 176.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1289 ' ' ALA . . . . . 0.665 ' HB1' ' HG3' ' A' 1298 ' ' ARG . . . -73.3 -8.71 56.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.151 0.501 . . . . 0.0 110.362 173.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -91.1 -27.63 17.96 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.153 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' 1288 ' ' MET . 29.4 pt20 -78.13 -12.58 60.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.211 0.529 . . . . 0.0 109.731 177.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1292 ' ' ALA . . . . . 0.466 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -85.44 115.98 63.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.36 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1293 ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.6 Cg_exo -74.74 -27.66 10.35 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.068 2.512 . . . . 0.0 112.66 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 26.7 m -84.82 129.45 34.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.906 0.384 . . . . 0.0 111.038 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.66 -38.28 90.5 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.967 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.97 -38.92 76.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 0.0 110.384 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.94 -41.86 97.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.265 0.555 . . . . 0.0 109.802 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.665 ' HG3' ' HB1' ' A' 1289 ' ' ALA . 65.8 ttt180 -60.56 -43.05 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.461 174.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.36 79.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.021 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -58.54 -54.02 51.81 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.573 ' O ' ' HG ' ' A' 1305 ' ' LEU . 3.7 p -68.2 -34.38 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.032 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.535 ' HA ' HD11 ' A' 1305 ' ' LEU . 60.5 t -67.5 -30.76 49.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.69 0.281 . . . . 0.0 111.213 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 34.4 m -63.41 -38.1 89.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.853 0.359 . . . . 0.0 110.153 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -65.37 -42.11 93.07 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.369 0.604 . . . . 0.0 109.971 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.2 mt -58.3 -48.14 81.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.715 -176.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.24 -41.82 97.54 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.35 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -55.14 -45.43 82.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.609 -177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1308 ' ' ILE . . . . . 0.436 HG22 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -77.52 -36.06 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 122.62 -0.341 . . . . 0.0 110.465 179.131 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1309 ' ' SER . . . . . 0.46 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 50.3 m -64.75 -46.96 79.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 111.281 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.601 ' O ' ' HG3' ' A' 1314 ' ' LYS . 19.1 ptm -66.04 -38.33 88.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.225 -178.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 22.4 m -70.72 -35.19 72.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.245 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 38.9 t -62.56 -44.39 96.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.504 0.669 . . . . 0.0 109.336 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.523 ' O ' ' HG ' ' A' 1317 ' ' LEU . 64.0 m -58.43 -51.32 70.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.641 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.601 ' HG3' ' O ' ' A' 1310 ' ' MET . 85.9 mttt -65.75 -32.87 74.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.155 -177.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1315 ' ' LEU . . . . . 0.57 HD22 ' HA ' ' A' 1339 ' ' ALA . 46.3 tp -65.39 -46.96 78.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.996 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.536 ' O ' ' HG3' ' A' 1320 ' ' LYS . 99.4 mt -65.57 -32.74 74.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.777 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' 1313 ' ' SER . 95.8 mt -61.79 -35.25 77.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.002 0.429 . . . . 0.0 110.434 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.86 -36.23 75.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.343 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -65.58 -33.29 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.721 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1320 ' ' LYS . . . . . 0.542 ' HD2' HD13 ' A' 1213 ' ' LEU . 6.2 mtpm? -64.33 -47.72 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.129 0.49 . . . . 0.0 110.187 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1321 ' ' ALA . . . . . 0.416 ' C ' HD22 ' A' 1331 ' ' LEU . . . -66.5 -33.66 76.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.782 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' 1325 ' ' ASP . 24.6 tp -81.7 -16.81 50.03 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 10.0 p -85.39 -26.06 26.67 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.411 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 6.5 t -91.54 -30.27 16.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 109.913 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1325 ' ' ASP . . . . . 0.412 ' O ' HD12 ' A' 1322 ' ' LEU . 10.0 t70 -128.16 92.91 40.35 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.342 176.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -92.85 14.83 1.56 Allowed 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 122.793 2.328 . . . . 0.0 112.316 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -102.22 -42.71 5.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.732 -174.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 18.4 m -61.68 111.68 4.83 Favored Pre-proline 0 CA--C 1.533 0.296 0 O-C-N 123.293 0.37 . . . . 0.0 111.714 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.54 -31.78 50.06 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.021 2.481 . . . . 0.0 111.931 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -62.76 -28.24 69.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.417 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1331 ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' 1321 ' ' ALA . 20.5 tp -76.17 -34.41 59.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.441 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' 1260 ' ' SER . 4.4 mptp? -58.02 -53.05 62.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.16 0.505 . . . . 0.0 109.924 174.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 43.5 m -64.27 -39.57 94.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.146 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.79 -43.47 94.4 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.715 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1335 ' ' LEU . . . . . 0.434 HD21 ' HB2' ' A' 1260 ' ' SER . 9.7 tt -64.07 -48.19 77.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.988 177.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1336 ' ' ALA . . . . . 0.617 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -56.71 -39.55 74.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.236 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.93 99.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.166 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' 1342 ' ' VAL . . . -69.67 -37.68 76.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.497 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1339 ' ' ALA . . . . . 0.57 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.23 -43.72 98.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.794 177.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1340 ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' 1336 ' ' ALA . 29.6 mmt180 -59.59 -41.92 91.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.194 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.57 99.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.977 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.596 ' O ' HG13 ' A' 1346 ' ' ILE . 89.7 t -62.3 -52.91 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.457 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 25.7 m -61.76 -34.69 76.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 110.812 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.98 -46.52 84.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.536 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 48.8 m -72.79 -28.36 62.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.425 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' 1342 ' ' VAL . 91.7 mt -61.23 -54.43 35.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.947 0.403 . . . . 0.0 110.188 175.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 6.9 p30 -71.76 -28.87 63.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.298 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -60.88 -46.56 90.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.836 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.0 -52.06 67.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.205 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.457 ' CD1' ' HG ' ' A' 1242 ' ' LEU . 41.0 mm -62.35 -45.82 97.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.389 -177.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 50.2 m -69.48 -43.95 72.13 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 93.0 mmm -76.25 -27.23 56.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.605 0.241 . . . . 0.0 111.578 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.525 ' HB3' ' HE2' ' A' 1288 ' ' MET . 94.7 m . . . . . 0 C--N 1.323 -0.561 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.442 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 . . . . . 0 C--O 1.224 -0.242 0 CA-C-O 120.438 0.161 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1208 ' ' ASP . . . . . 0.684 ' HA ' ' HB3' ' A' 1211 ' ' ASN . 23.4 m-20 -62.5 -22.73 66.5 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -174.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1209 ' ' VAL . . . . . . . . . . . . . 33.4 m -71.32 -28.66 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.885 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -83.53 -45.97 12.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.845 173.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1211 ' ' ASN . . . . . 0.684 ' HB3' ' HA ' ' A' 1208 ' ' ASP . 34.6 t30 -51.99 -43.6 63.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.096 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1212 ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' 1316 ' ' LEU . . . -53.81 -54.55 36.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.32 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 59.2 mt -63.8 -39.61 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -58.87 -44.32 91.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.564 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.7 -48.74 53.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.58 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1216 ' ' VAL . . . . . . . . . . . . . 88.9 t -60.54 -42.75 92.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.97 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -70.11 -26.31 74.45 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.57 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1218 ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' 1221 ' ' LYS . 14.0 t70 -83.87 -39.19 20.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.365 . . . . 0.0 110.969 -177.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1219 ' ' ALA . . . . . 0.413 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -63.05 -44.7 95.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.304 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1220 ' ' SER . . . . . 0.582 ' O ' ' HB2' ' A' 1224 ' ' LEU . 15.0 p -67.96 -26.79 66.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.408 0.623 . . . . 0.0 110.294 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1221 ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' 1218 ' ' ASP . 27.2 ttmt -69.16 -57.04 5.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.798 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -70.7 -54.06 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.927 -177.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.465 ' HB3' HG23 ' A' 1286 ' ' VAL . 83.5 mt -67.35 -42.59 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -169.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1224 ' ' LEU . . . . . 0.582 ' HB2' ' O ' ' A' 1220 ' ' SER . 4.6 mm? . . . . . 0 C--N 1.333 -0.147 0 CA-C-O 121.06 0.457 . . . . 0.0 112.057 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 121.317 0.579 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.62 -38.29 83.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.025 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -69.31 -30.12 68.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.102 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -68.0 -44.71 75.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.552 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 35.2 t -63.02 -35.48 80.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.677 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -61.73 -40.21 94.27 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.859 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.452 HD13 ' SD ' ' A' 1288 ' ' MET . 1.0 OUTLIER -61.54 -38.99 89.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.656 176.414 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1243 ' ' ASN . . . . . 0.438 HD21 ' N ' ' A' 1243 ' ' ASN . 0.9 OUTLIER -66.84 -41.38 87.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.826 0.346 . . . . 0.0 110.458 -178.163 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.89 -50.9 71.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.288 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -66.33 -34.04 77.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.189 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.12 74.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.254 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.91 93.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.697 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.71 -44.3 96.55 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.102 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 26.0 tp -73.07 -35.15 66.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.77 0.319 . . . . 0.0 110.765 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -61.7 -40.16 94.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.12 0.486 . . . . 0.0 110.289 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1251 ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' 1255 ' ' GLU . 23.7 tt0 -73.3 -33.2 65.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.276 176.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.11 87.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.964 0.411 . . . . 0.0 110.43 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1253 ' ' ALA . . . . . 0.519 ' O ' HG22 ' A' 1257 ' ' VAL . . . -65.02 -39.3 93.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.135 0.493 . . . . 0.0 109.793 172.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 76.1 m -62.08 -37.82 86.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.713 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' 1251 ' ' GLN . 42.7 mm-40 -55.68 -49.83 71.9 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.992 174.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1256 ' ' LEU . . . . . 0.446 ' HB3' HD22 ' A' 1335 ' ' LEU . 52.4 mt -62.21 -34.77 77.1 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.263 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1257 ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' 1253 ' ' ALA . 80.6 t -62.2 -52.28 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.753 0.311 . . . . 0.0 110.703 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -61.7 -43.1 99.49 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.158 0.504 . . . . 0.0 110.587 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1259 ' ' ALA . . . . . 0.489 ' HB1' ' CA ' ' A' 1267 ' ' LEU . . . -67.88 -33.31 74.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.818 -178.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1260 ' ' SER . . . . . 0.528 ' HA ' HD21 ' A' 1322 ' ' LEU . 35.5 t -61.12 -32.37 72.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.963 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -58.51 -29.68 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.385 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 137.42 91.88 0.28 Allowed Glycine 0 CA--C 1.499 -0.929 0 C-N-CA 120.117 -1.039 . . . . 0.0 115.449 162.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1263 ' ' THR . . . . . 0.544 HG21 ' HB2' ' A' 1266 ' ' ASP . 0.0 OUTLIER -168.21 117.65 0.64 Allowed Pre-proline 0 N--CA 1.446 -0.625 0 CA-C-N 114.412 -0.894 . . . . 0.0 109.186 169.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1264 ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' 1263 ' ' THR . 35.2 Cg_exo -60.57 -43.19 34.41 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.373 2.715 . . . . 0.0 113.253 -170.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -67.65 -28.49 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1266 ' ' ASP . . . . . 0.544 ' HB2' HG21 ' A' 1263 ' ' THR . 2.1 m-20 -75.34 -56.0 5.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.189 176.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.489 ' CA ' ' HB1' ' A' 1259 ' ' ALA . 47.1 tp -54.79 -50.77 67.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.591 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -61.61 -51.86 66.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.107 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1269 ' ' ARG . . . . . 0.605 ' HA ' ' HE ' ' A' 1269 ' ' ARG . 1.0 OUTLIER -61.6 -36.54 81.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.704 -179.363 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.68 95.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.637 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 16.6 m -59.8 -47.15 86.86 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.293 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -62.79 -34.44 89.75 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.632 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -75.7 -42.76 50.09 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.545 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1274 ' ' PHE . . . . . 0.401 ' CD2' HD21 ' A' 1316 ' ' LEU . 68.0 t80 -57.37 -47.03 82.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.617 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -66.38 -28.85 73.98 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.185 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -75.02 -51.91 12.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.09 -29.84 70.6 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.691 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.536 ' HE1' ' HA ' ' A' 1309 ' ' SER . 83.0 t80 -57.18 -47.68 80.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.048 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 91.0 p -63.75 -40.34 96.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.342 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 19.2 m -62.22 -37.14 84.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.226 0.536 . . . . 0.0 110.558 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1281 ' ' PHE . . . . . 0.425 ' HE2' HG22 ' A' 1308 ' ' ILE . 74.2 t80 -71.63 -51.16 24.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.753 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.458 ' O ' HG22 ' A' 1286 ' ' VAL . 28.5 tp -61.64 -44.2 97.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.358 -175.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.56 -44.97 89.88 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.646 0.26 . . . . 0.0 111.277 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.1 99.66 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.028 0.442 . . . . 0.0 110.621 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.56 -45.62 95.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.183 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' 1223 ' ' LEU . 92.6 t -65.69 -36.01 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.437 0.16 . . . . 0.0 110.923 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1287 ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' 1291 ' ' GLN . 36.6 tt0 -61.26 -45.98 92.24 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.602 0.239 . . . . 0.0 110.623 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.452 ' SD ' HD13 ' A' 1242 ' ' LEU . 21.0 ptm -78.23 -26.82 47.5 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.985 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -68.17 -35.15 77.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.962 0.411 . . . . 0.0 110.426 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -71.67 -13.07 74.65 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.944 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' 1287 ' ' GLU . 9.6 pt20 -114.8 12.81 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.843 0.354 . . . . 0.0 111.334 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1292 ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -72.18 123.81 89.99 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.914 174.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1293 ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 22.8 Cg_exo -64.87 -55.83 0.46 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.144 2.562 . . . . 0.0 113.363 -174.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 16.2 m -76.97 128.2 34.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.703 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -64.42 -33.69 76.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.809 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.69 -45.3 79.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.475 0.655 . . . . 0.0 109.707 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.25 -42.57 96.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.345 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.469 ' HA ' HG12 ' A' 1301 ' ' VAL . 71.5 ttt180 -63.82 -43.37 96.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.619 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.94 80.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.863 0.363 . . . . 0.0 110.527 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -63.59 -53.44 51.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.821 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.663 ' HA ' ' ND2' ' A' 1304 ' ' ASN . 12.2 p -63.34 -32.19 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.284 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.535 ' HA ' HD11 ' A' 1305 ' ' LEU . 72.9 t -69.41 -35.57 67.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.017 0.437 . . . . 0.0 110.682 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 12.7 t -68.09 -36.71 80.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.026 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1304 ' ' ASN . . . . . 0.663 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 41.7 m-20 -59.13 -40.12 84.46 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.235 0.541 . . . . 0.0 109.604 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.535 HD11 ' HA ' ' A' 1302 ' ' VAL . 89.5 mt -58.05 -42.67 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.523 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1306 ' ' LYS . . . . . 0.61 ' HG2' ' HE3' ' A' 1310 ' ' MET . 24.1 ttmm -67.86 -41.86 82.25 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.361 176.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.11 -45.13 63.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.436 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1308 ' ' ILE . . . . . 0.546 HG13 HG12 ' A' 1346 ' ' ILE . 0.0 OUTLIER -78.95 -41.1 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.972 179.416 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1309 ' ' SER . . . . . 0.536 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 68.3 m -59.11 -46.71 87.61 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.744 0.306 . . . . 0.0 111.031 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.61 ' HE3' ' HG2' ' A' 1306 ' ' LYS . 51.1 mtm -58.82 -53.09 62.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.861 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 42.2 m -59.52 -38.76 81.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.314 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 50.8 m -65.7 -39.99 91.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.404 0.621 . . . . 0.0 110.069 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.521 ' O ' ' HG ' ' A' 1317 ' ' LEU . 48.9 m -62.07 -50.97 69.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.386 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.582 ' HA ' HD12 ' A' 1317 ' ' LEU . 49.4 mttm -61.65 -32.67 72.85 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.33 -178.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.89 -48.93 69.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 110.928 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.469 HD12 ' HB2' ' A' 1212 ' ' ALA . 79.9 mt -66.01 -26.57 67.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.24 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' 1314 ' ' LYS . 95.0 mt -59.87 -27.66 66.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.776 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.81 57.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.184 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.46 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -51.38 -50.07 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.777 174.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -78.35 -29.01 47.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.429 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.528 HD21 ' HA ' ' A' 1260 ' ' SER . 36.1 tp -78.09 -21.55 50.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.574 -175.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 21.5 p -74.4 -28.95 61.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.101 0.477 . . . . 0.0 110.452 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 17.3 p -92.53 -30.44 15.67 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 176.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1325 ' ' ASP . . . . . 0.455 ' O ' HD13 ' A' 1322 ' ' LEU . 10.4 t70 -127.69 89.83 49.82 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.156 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -92.09 16.57 1.42 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.63 2.22 . . . . 0.0 112.203 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -105.91 -39.14 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.028 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 23.6 m -62.74 115.31 16.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.925 0.393 . . . . 0.0 111.503 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.89 -33.95 50.54 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.079 2.519 . . . . 0.0 112.043 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -63.43 -25.96 68.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.749 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 14.6 tp -76.02 -30.65 58.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.875 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.3 mptm? -62.16 -47.35 84.93 Favored 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 10.0 m -62.12 -36.56 82.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.207 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.36 -46.29 87.23 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 110.338 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1335 ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' 1256 ' ' LEU . 9.1 tt -67.01 -46.75 73.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.299 -179.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1336 ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -55.86 -42.28 75.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.051 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.86 86.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.024 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.05 -35.27 79.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -61.57 -39.92 92.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.638 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1340 ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' 1336 ' ' ALA . 36.4 mmt180 -60.42 -40.5 91.22 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 177.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.63 94.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.726 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' 1346 ' ' ILE . 79.8 t -65.49 -52.3 53.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.68 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 41.8 m -56.22 -46.7 79.42 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.039 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.06 -45.47 94.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.222 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 27.5 m -65.29 -37.7 87.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.131 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.546 HG12 HG13 ' A' 1308 ' ' ILE . 79.9 mt -61.83 -53.23 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.031 0.443 . . . . 0.0 110.378 177.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -64.04 -37.73 88.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.852 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -62.32 -36.12 81.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.635 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.65 ' HG ' ' CB ' ' A' 1304 ' ' ASN . 2.8 tt -64.83 -50.89 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.606 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 37.4 mm -63.29 -44.34 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.159 -177.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 95.8 m -56.3 -36.6 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 111.204 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 21.9 mmt -78.12 -46.75 19.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.578 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' 1350 ' ' ILE . 28.7 p . . . . . 0 C--O 1.233 0.203 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -174.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.637 0.256 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.05 -31.38 71.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.529 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 29.7 m -80.58 -27.88 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.368 -176.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -82.77 -44.5 15.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 9.9 t30 -60.15 -33.94 72.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.585 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1212 ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' 1216 ' ' VAL . . . -59.63 -47.24 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.648 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1213 ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' 1316 ' ' LEU . 25.7 mt -64.82 -35.65 81.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.721 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -59.74 -43.55 94.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.969 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.68 -46.62 71.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.25 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.528 HG13 ' CE2' ' A' 1278 ' ' PHE . 76.6 t -60.6 -48.6 87.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.062 0.458 . . . . 0.0 110.865 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.79 -39.24 97.23 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.076 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.26 -48.8 79.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.47 . . . . 0.0 110.64 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1219 ' ' ALA . . . . . 0.478 ' HB3' HD23 ' A' 1282 ' ' LEU . . . -61.94 -49.15 77.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.176 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1220 ' ' SER . . . . . 0.514 ' O ' ' HB3' ' A' 1224 ' ' LEU . 24.5 t -65.47 -24.56 67.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.952 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 57.1 tptt -78.24 -57.77 3.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.859 0.361 . . . . 0.0 111.016 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -73.75 -54.57 7.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.896 -173.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.419 ' HB3' HG23 ' A' 1286 ' ' VAL . 57.4 mt -63.29 -39.35 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.863 -171.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1224 ' ' LEU . . . . . 0.514 ' HB3' ' O ' ' A' 1220 ' ' SER . 14.6 tp . . . . . 0 N--CA 1.441 -0.897 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.157 -173.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.728 0.299 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -62.88 -49.39 75.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.1 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -61.38 -36.3 79.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.058 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1239 ' ' GLN . . . . . 0.794 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 61.7 tt0 -62.76 -51.91 65.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.033 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1240 ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' 1244 ' ' GLU . 8.8 m -60.21 -36.05 76.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.368 0.604 . . . . 0.0 109.981 177.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -66.09 -44.63 83.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.893 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.513 HD23 ' HB3' ' A' 1284 ' ' ALA . 2.7 mm? -65.63 -35.6 81.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -62.66 -42.7 99.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.759 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1244 ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' 1240 ' ' SER . 29.7 mm-40 -65.73 -44.99 84.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.366 0.603 . . . . 0.0 110.164 178.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -69.25 -42.16 75.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.725 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1246 ' ' ALA . . . . . 0.506 ' HB3' HD13 ' A' 1350 ' ' ILE . . . -60.3 -53.84 52.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.989 -176.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.52 97.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.864 0.364 . . . . 0.0 111.002 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.45 94.28 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.041 178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 26.0 tp -71.01 -34.61 71.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.488 0.185 . . . . 0.0 110.757 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -59.62 -44.54 93.4 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 110.552 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1251 ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' 1255 ' ' GLU . 27.1 tt0 -72.62 -32.63 66.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.226 176.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.32 91.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.92 0.391 . . . . 0.0 110.945 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1253 ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' 1257 ' ' VAL . . . -63.77 -41.57 97.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.33 0.586 . . . . 0.0 110.006 174.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 95.7 m -62.83 -33.66 75.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.158 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' 1251 ' ' GLN . 13.0 mm-40 -59.14 -41.72 88.96 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.712 176.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1256 ' ' LEU . . . . . 0.554 ' HB3' HD21 ' A' 1335 ' ' LEU . 36.3 mt -67.06 -31.92 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.713 176.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1257 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1253 ' ' ALA . 60.6 t -63.87 -50.29 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.796 178.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -73.31 -29.08 62.45 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.531 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.69 94.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.463 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1260 ' ' SER . . . . . 0.57 ' OG ' ' HA ' ' A' 1332 ' ' LYS . 14.8 t -56.51 -27.54 57.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.997 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -107.77 24.21 13.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.712 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -129.6 -99.64 0.9 Allowed Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.974 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 71.0 p -140.99 154.07 67.95 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.591 0.195 . . . . 0.0 111.101 -173.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.44 -34.35 88.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.887 2.392 . . . . 0.0 112.599 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -73.48 -26.76 61.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.547 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.45 -44.06 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.689 HD23 HD23 ' A' 1322 ' ' LEU . 5.4 mp -58.54 -42.1 87.05 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.662 174.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -57.35 -54.87 41.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.243 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1269 ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' 1269 ' ' ARG . 37.1 ttp180 -56.33 -42.98 78.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.118 0.485 . . . . 0.0 110.317 177.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.96 99.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.13 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 32.8 m -64.47 -41.77 96.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.938 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -65.41 -45.9 88.3 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.438 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -63.05 -48.67 77.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 72.8 t80 -57.18 -48.57 78.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.973 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -67.24 -44.81 85.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.853 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.31 -42.51 83.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.92 -177.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.7 -35.58 67.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.528 ' CE2' HG13 ' A' 1216 ' ' VAL . 68.6 t80 -61.68 -39.84 92.87 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 176.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1279 ' ' SER . . . . . 0.612 ' O ' ' HG3' ' A' 1283 ' ' GLU . 50.2 m -55.26 -48.8 73.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.385 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 12.5 m -68.37 -35.88 78.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.776 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1281 ' ' PHE . . . . . 0.438 ' HE2' HG23 ' A' 1308 ' ' ILE . 77.9 t80 -61.19 -47.28 86.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.717 177.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' 1286 ' ' VAL . 29.7 tp -68.38 -37.39 80.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -177.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1283 ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' 1279 ' ' SER . 86.8 mt-10 -57.53 -43.73 84.56 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.041 0.448 . . . . 0.0 110.035 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1284 ' ' ALA . . . . . 0.513 ' HB3' HD23 ' A' 1242 ' ' LEU . . . -68.45 -36.13 78.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.814 177.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1285 ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' 1288 ' ' MET . . . -63.62 -45.33 94.84 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.372 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' 1282 ' ' LEU . 33.1 t -69.88 -28.67 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.126 0.489 . . . . 0.0 109.957 177.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1287 ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' A' 1284 ' ' ALA . 42.2 tt0 -59.73 -41.83 91.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.775 173.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.433 ' HE3' ' HB3' ' A' 1288 ' ' MET . 83.4 mmm -59.29 -47.4 85.52 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.489 174.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -58.66 -37.3 75.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.253 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -70.23 -39.51 71.58 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.862 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' 1288 ' ' MET . 0.0 OUTLIER -82.62 -13.49 56.41 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.629 -0.336 . . . . 0.0 111.448 -176.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -59.44 129.26 86.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.165 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.44 -64.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.861 2.374 . . . . 0.0 112.708 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 16.4 m -89.95 144.56 25.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.384 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1295 ' ' GLN . . . . . 0.575 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 53.7 mt-30 -74.75 -11.41 60.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.358 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.26 -38.51 65.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 173.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -72.75 -36.15 67.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.575 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 34.2 ttt180 -62.2 -45.72 92.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.225 175.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.77 81.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.595 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -61.92 -51.49 67.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.323 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.596 ' O ' ' HG ' ' A' 1305 ' ' LEU . 13.1 p -64.15 -35.15 72.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.944 -177.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.506 ' HA ' HD12 ' A' 1305 ' ' LEU . 62.9 t -69.25 -36.68 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 50.3 m -62.21 -38.42 89.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.54 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1304 ' ' ASN . . . . . 0.673 ' HB2' HD21 ' A' 1349 ' ' LEU . 40.0 m-20 -64.1 -43.02 96.64 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.248 0.547 . . . . 0.0 109.581 175.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.5 mt -57.54 -49.69 75.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.939 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -59.39 -45.64 90.9 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1307 ' ' GLY . . . . . 0.602 ' HA2' ' HE1' ' A' 1310 ' ' MET . . . -54.27 -48.52 63.67 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.273 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1308 ' ' ILE . . . . . 0.504 HD13 ' O ' ' A' 1308 ' ' ILE . 0.1 OUTLIER -73.73 -36.64 47.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.903 0.352 . . . . 0.0 110.274 -179.266 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 48.8 m -63.35 -42.26 98.9 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.602 ' HE1' ' HA2' ' A' 1307 ' ' GLY . 26.2 ptt? -72.11 -36.93 69.57 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.204 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 48.0 m -67.8 -41.46 83.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.997 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 29.6 p -64.53 -39.68 94.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.457 0.646 . . . . 0.0 109.937 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' 1317 ' ' LEU . 64.6 m -61.34 -50.98 70.73 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.925 176.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.514 ' HA ' HD11 ' A' 1317 ' ' LEU . 57.2 mttm -63.74 -29.78 70.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.813 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1315 ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' 1339 ' ' ALA . 35.3 tp -67.12 -50.63 60.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.698 175.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.466 ' HB2' HD22 ' A' 1213 ' ' LEU . 87.9 mt -64.66 -26.96 68.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.477 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' 1313 ' ' SER . 92.1 mt -58.33 -38.53 77.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.702 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -74.9 -34.16 62.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.44 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.17 96.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.829 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1320 ' ' LYS . . . . . 0.529 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 27.8 mtmt -63.34 -44.28 95.31 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.219 0.533 . . . . 0.0 110.872 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.31 93.34 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.721 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.689 HD23 HD23 ' A' 1267 ' ' LEU . 33.1 tp -75.19 -23.67 57.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.706 -176.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 9.1 p -79.75 -14.51 58.68 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.125 -0.359 . . . . 0.0 111.173 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 12.1 t -106.95 -22.02 12.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.056 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 8.5 t0 -135.98 86.89 25.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -86.16 0.87 8.07 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.441 2.094 . . . . 0.0 112.667 -178.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -89.15 -35.2 16.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1328 ' ' SER . . . . . 0.457 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 49.7 m -64.45 113.14 9.48 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.052 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1329 ' ' PRO . . . . . 0.538 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 10.9 Cg_exo -71.3 -29.28 17.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.175 2.583 . . . . 0.0 112.78 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.18 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 111.018 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.03 -28.41 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.717 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.603 ' HZ2' HD12 ' A' 1322 ' ' LEU . 2.7 mptp? -66.99 -51.67 52.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 2.3 m -61.75 -42.92 99.6 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.73 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.03 -38.95 92.55 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.946 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1335 ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.0 tt -66.7 -49.22 66.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.21 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.98 76.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -68.92 -33.9 74.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.406 ' O ' HG21 ' A' 1342 ' ' VAL . . . -73.65 -39.79 64.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.694 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1339 ' ' ALA . . . . . 0.47 ' HA ' HD23 ' A' 1315 ' ' LEU . . . -62.62 -37.2 85.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.153 0.501 . . . . 0.0 110.334 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -60.61 -39.96 90.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.596 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.7 90.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.768 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.452 ' O ' HG13 ' A' 1346 ' ' ILE . 95.5 t -60.75 -50.9 78.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.774 178.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 62.2 m -52.41 -45.39 65.89 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.359 0.412 . . . . 0.0 111.524 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.74 -51.99 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.384 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 5.8 p -66.82 -31.15 71.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.085 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.561 ' O ' HG12 ' A' 1350 ' ' ILE . 74.3 mt -59.21 -50.49 79.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -71.33 -29.12 64.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.779 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -62.33 -38.46 89.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.265 0.555 . . . . 0.0 110.053 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.673 HD21 ' HB2' ' A' 1304 ' ' ASN . 3.4 tm? -70.91 -42.53 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.394 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' 1346 ' ' ILE . 35.9 mm -65.6 -27.15 40.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.35 -178.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 62.0 m -60.85 -30.59 70.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.265 0.555 . . . . 0.0 110.508 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1352 ' ' MET . . . . . 0.428 ' HG2' ' HB ' ' A' 1301 ' ' VAL . 45.4 tpp -78.4 -34.33 48.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.512 177.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.794 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 37.3 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.687 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 120.545 0.212 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.5 -41.16 84.71 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.595 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.506 ' HB ' ' CD ' ' A' 1320 ' ' LYS . 2.3 m -83.98 -26.7 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.798 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -80.84 -53.86 6.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.787 0.327 . . . . 0.0 111.122 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -65.58 -27.08 68.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -57.9 -34.88 70.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.032 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 39.4 mt -72.15 -34.93 68.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -75.69 -35.4 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.383 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.58 80.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.982 0.42 . . . . 0.0 110.488 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.555 HG13 ' CE2' ' A' 1278 ' ' PHE . 96.9 t -68.67 -39.02 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.347 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.69 -54.32 32.17 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.946 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1218 ' ' ASP . . . . . 0.512 ' HA ' ' HE2' ' A' 1221 ' ' LYS . 52.2 m-20 -54.71 -46.99 74.28 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.705 0.288 . . . . 0.0 110.995 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.78 84.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1220 ' ' SER . . . . . 0.457 ' HA ' HD22 ' A' 1224 ' ' LEU . 11.7 p -68.32 -39.13 82.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.691 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1221 ' ' LYS . . . . . 0.512 ' HE2' ' HA ' ' A' 1218 ' ' ASP . 44.5 mtmt -62.09 -38.25 88.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.75 0.31 . . . . 0.0 110.954 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -77.2 -60.16 2.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.36 0.6 . . . . 0.0 110.794 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.691 ' HB3' HG21 ' A' 1286 ' ' VAL . 85.0 mt -65.8 -44.34 85.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.916 -168.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1224 ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' 1220 ' ' SER . 4.1 mm? . . . . . 0 C--N 1.332 -0.153 0 CA-C-O 121.12 0.486 . . . . 0.0 111.848 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 C--O 1.227 -0.12 0 CA-C-O 120.415 0.15 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -54.68 -46.36 74.08 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.03 81.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.742 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -64.41 -52.96 55.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.424 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 28.4 m -60.49 -30.79 69.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.039 0.447 . . . . 0.0 110.549 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1241 ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' 1241 ' ' ARG . 29.2 ttp180 -74.59 -33.96 62.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.378 0.608 . . . . 0.0 109.585 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.43 HD22 ' HA2' ' A' 1285 ' ' GLY . 28.7 tp -66.15 -39.34 89.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.126 176.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -56.54 -44.53 80.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.975 0.417 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.18 -39.61 93.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.069 177.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1245 ' ' ALA . . . . . 0.571 ' HB2' ' HA ' ' A' 1281 ' ' PHE . . . -66.43 -36.91 83.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.115 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.17 -52.66 64.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.24 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.27 74.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.203 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.18 -49.24 41.29 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.1 tp -69.86 -29.31 66.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.568 0.223 . . . . 0.0 111.0 -176.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -56.71 -46.1 81.45 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.949 0.404 . . . . 0.0 110.307 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -75.48 -31.71 60.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.371 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.68 87.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.83 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.62 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.152 0.501 . . . . 0.0 110.184 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 92.9 m -65.83 -33.91 76.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.079 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1255 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -58.81 -40.03 82.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.014 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1256 ' ' LEU . . . . . 0.755 ' HB3' HD23 ' A' 1335 ' ' LEU . 17.2 mt -64.25 -37.02 86.0 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.603 176.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 48.5 t -64.5 -48.5 84.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.985 0.421 . . . . 0.0 110.403 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -64.71 -33.99 77.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.598 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.38 89.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.919 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1260 ' ' SER . . . . . 0.656 ' HB3' ' HG3' ' A' 1332 ' ' LYS . 41.4 m -65.59 -23.58 66.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.326 0.584 . . . . 0.0 110.718 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -97.23 7.6 46.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.459 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -122.9 -97.98 1.37 Allowed Glycine 0 N--CA 1.437 -1.275 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.613 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1263 ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' A' 1264 ' ' PRO . 16.8 p -133.42 158.38 75.78 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.648 0.261 . . . . 0.0 111.081 -174.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1264 ' ' PRO . . . . . 0.407 ' HA ' HD13 ' A' 1267 ' ' LEU . 10.8 Cg_endo -57.1 -28.66 79.96 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.064 2.509 . . . . 0.0 112.163 174.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -78.04 -28.52 49.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.205 -175.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.75 -42.42 95.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.5 HD12 HD21 ' A' 1322 ' ' LEU . 66.6 mt -58.82 -36.25 74.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.308 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -63.79 -55.28 24.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.712 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -60.05 -41.52 92.5 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.853 0.359 . . . . 0.0 110.449 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.4 83.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.096 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1271 ' ' SER . . . . . 0.436 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 2.5 m -58.53 -48.31 81.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.359 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.68 -40.0 98.11 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.859 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -65.7 -53.55 39.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.723 0.297 . . . . 0.0 110.58 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -58.19 -45.58 87.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.196 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.79 -42.19 98.61 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.483 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -69.72 -44.25 70.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.075 0.464 . . . . 0.0 110.851 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 6.8 t70 -70.52 -33.63 71.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.655 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.555 ' CE2' HG13 ' A' 1216 ' ' VAL . 86.7 t80 -57.74 -36.16 71.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.044 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 18.0 m -60.08 -43.95 95.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.402 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 7.0 m -62.87 -35.23 79.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.829 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1281 ' ' PHE . . . . . 0.571 ' HA ' ' HB2' ' A' 1245 ' ' ALA . 76.0 t80 -76.12 -55.01 5.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.332 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' 1286 ' ' VAL . 33.4 tp -60.7 -46.43 90.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.439 -172.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1283 ' ' GLU . . . . . 0.459 ' HG2' HD12 ' A' 1223 ' ' LEU . 44.9 mt-10 -58.85 -42.68 89.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.257 -0.177 . . . . 0.0 111.044 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.15 89.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.94 0.4 . . . . 0.0 111.036 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1285 ' ' GLY . . . . . 0.43 ' HA2' HD22 ' A' 1242 ' ' LEU . . . -63.11 -46.44 93.29 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.453 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.691 HG21 ' HB3' ' A' 1223 ' ' LEU . 42.5 t -68.58 -35.97 72.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.792 0.33 . . . . 0.0 110.701 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1287 ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' 1291 ' ' GLN . 37.9 tt0 -58.96 -52.98 63.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.788 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.416 ' HE2' ' HB3' ' A' 1353 ' ' CYS . 19.8 ptm -67.62 -26.64 66.34 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.721 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.84 93.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.989 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -72.11 -20.63 79.14 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.026 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' 1287 ' ' GLU . 14.8 mm100 -83.76 -6.27 59.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.78 0.324 . . . . 0.0 110.813 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1292 ' ' ALA . . . . . 0.481 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -64.0 121.87 73.98 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.274 178.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1293 ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 25.6 Cg_exo -64.05 -58.76 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 123.009 2.472 . . . . 0.0 113.065 -176.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1294 ' ' SER . . . . . 0.456 ' HB2' ' OD1' ' A' 1297 ' ' ASP . 21.0 m -78.0 148.81 34.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.519 -174.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -62.34 -52.61 62.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.722 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -63.61 -38.79 92.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1297 ' ' ASP . . . . . 0.456 ' OD1' ' HB2' ' A' 1294 ' ' SER . 4.9 m-20 -61.22 -45.04 96.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.095 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.542 ' O ' HG22 ' A' 1302 ' ' VAL . 42.1 ttt180 -63.25 -45.98 89.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.674 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -67.01 -35.09 79.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.764 0.316 . . . . 0.0 111.266 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1300 ' ' GLN . . . . . 0.668 ' HG2' ' HE1' ' A' 1352 ' ' MET . 6.9 tp60 -65.82 -45.37 82.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -178.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.578 ' O ' ' HG ' ' A' 1305 ' ' LEU . 7.5 p -68.93 -33.12 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.111 -178.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' 1298 ' ' ARG . 85.4 t -69.58 -33.79 58.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.2 p -64.93 -39.25 93.22 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.266 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1304 ' ' ASN . . . . . 0.769 ' HB2' HD22 ' A' 1349 ' ' LEU . 41.4 m-80 -62.39 -37.11 84.5 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.298 0.571 . . . . 0.0 109.904 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' 1301 ' ' VAL . 90.5 mt -61.03 -38.53 86.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.434 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -47.12 80.09 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -50.89 -48.07 46.02 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.715 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -37.93 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.249 -178.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 56.2 p -69.88 -37.55 76.07 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 122.139 -0.35 . . . . 0.0 111.224 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1310 ' ' MET . . . . . . . . . . . . . 89.0 mmm -70.68 -42.56 70.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.657 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1311 ' ' SER . . . . . 0.624 ' HA ' ' HG2' ' A' 1314 ' ' LYS . 50.0 m -66.3 -35.4 80.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.121 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 5.7 p -69.95 -36.12 75.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.252 0.549 . . . . 0.0 110.039 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1313 ' ' SER . . . . . . . . . . . . . 70.6 m -61.0 -51.71 68.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.545 174.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.624 ' HG2' ' HA ' ' A' 1311 ' ' SER . 16.2 ptpt -72.07 -25.79 61.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.925 -176.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1315 ' ' LEU . . . . . 0.563 HD22 ' HA ' ' A' 1339 ' ' ALA . 18.9 tp -63.05 -49.54 74.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 173.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.575 ' O ' ' HE2' ' A' 1320 ' ' LYS . 69.9 mt -61.88 -34.81 76.69 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.833 -177.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1317 ' ' LEU . . . . . . . . . . . . . 92.9 mt -54.37 -42.29 70.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 110.67 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.77 88.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.593 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1319 ' ' ALA . . . . . 0.453 ' HA ' HD13 ' A' 1335 ' ' LEU . . . -60.83 -41.19 95.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.602 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1320 ' ' LYS . . . . . 0.575 ' HE2' ' O ' ' A' 1316 ' ' LEU . 43.4 mmtt -59.69 -52.43 65.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.32 93.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.56 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.95 ' HG ' ' HB3' ' A' 1331 ' ' LEU . 0.7 OUTLIER -72.21 -32.93 67.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.943 -176.22 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 60.9 p -70.2 -28.9 65.66 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.915 -0.491 . . . . 0.0 110.609 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 12.4 p -83.87 -34.65 24.54 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.869 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -132.49 94.92 21.38 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.931 0.395 . . . . 0.0 110.301 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1326 ' ' PRO . . . . . 0.608 ' HA ' HD22 ' A' 1322 ' ' LEU . 69.6 Cg_endo -91.67 18.13 1.23 Allowed 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 122.627 2.218 . . . . 0.0 112.047 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -101.11 -18.19 16.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.94 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.1 m -80.54 114.37 47.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.87 -31.49 47.52 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.581 2.187 . . . . 0.0 111.47 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 39.4 t30 -62.14 -34.73 76.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.109 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1331 ' ' LEU . . . . . 0.95 ' HB3' ' HG ' ' A' 1322 ' ' LEU . 6.9 mp -68.09 -41.05 82.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.656 ' HG3' ' HB3' ' A' 1260 ' ' SER . 2.3 mptm? -61.05 -48.74 80.38 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.697 0.284 . . . . 0.0 110.46 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 18.6 t -63.36 -38.62 91.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.169 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -59.92 -53.83 53.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.723 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1335 ' ' LEU . . . . . 0.755 HD23 ' HB3' ' A' 1256 ' ' LEU . 9.6 tt -60.14 -48.47 81.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.536 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -57.53 -37.97 73.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.75 0.309 . . . . 0.0 111.624 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.17 -48.5 67.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.753 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' 1342 ' ' VAL . . . -67.97 -35.48 78.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.092 -179.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1339 ' ' ALA . . . . . 0.563 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.84 -44.62 96.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.927 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1340 ' ' ARG . . . . . 0.81 ' HE ' ' HA ' ' A' 1340 ' ' ARG . 1.3 mmp_? -67.82 -32.51 73.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.299 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.4 99.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.33 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' 1338 ' ' ALA . 95.7 t -61.31 -51.65 70.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.2 176.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 33.9 m -56.76 -45.52 82.0 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.32 -41.7 98.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.823 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 21.1 m -65.85 -38.57 89.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.561 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.472 ' O ' HG12 ' A' 1350 ' ' ILE . 87.6 mt -59.24 -52.02 65.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.903 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -55.33 -50.07 70.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -59.55 -41.31 89.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.988 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.769 HD22 ' HB2' ' A' 1304 ' ' ASN . 2.7 tm? -63.86 -47.39 80.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' 1346 ' ' ILE . 39.8 mm -65.75 -42.57 92.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.877 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 41.3 m -61.01 -41.29 96.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1352 ' ' MET . . . . . 0.668 ' HE1' ' HG2' ' A' 1300 ' ' GLN . 18.3 tpt -70.57 -32.23 69.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.432 -178.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.416 ' HB3' ' HE2' ' A' 1288 ' ' MET . 69.4 m . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 N--CA 1.46 0.069 0 CA-C-O 120.709 0.29 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -36.53 84.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.244 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.624 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 2.0 t -79.54 -35.77 17.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.992 0.425 . . . . 0.0 109.87 -177.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.73 -37.61 82.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.269 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 62.5 t30 -64.53 -39.92 94.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.07 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.19 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.5 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1213 ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' 1316 ' ' LEU . 46.7 mt -63.64 -35.37 80.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.073 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1214 ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' 1214 ' ' ARG . 23.2 ttp85 -62.87 -39.1 93.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.049 177.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -69.91 -42.96 72.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.503 HG12 ' CE2' ' A' 1278 ' ' PHE . 96.5 t -64.23 -47.41 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.139 0.495 . . . . 0.0 110.323 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.56 -34.0 88.74 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.975 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.01 -47.43 83.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1219 ' ' ALA . . . . . 0.604 ' HB1' HD21 ' A' 1282 ' ' LEU . . . -64.61 -37.41 87.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 40.9 t -61.56 -47.8 83.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.028 0.442 . . . . 0.0 110.224 175.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 24.1 tptm -65.59 -35.98 82.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.27 0.557 . . . . 0.0 110.91 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -76.3 -41.15 49.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.691 -174.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.774 ' HB3' HG21 ' A' 1286 ' ' VAL . 58.4 mt -107.15 -40.3 5.47 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -168.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 121.174 0.512 . . . . 0.0 110.994 -174.881 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.021 0.439 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -60.59 -48.39 82.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.013 178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -75.64 -30.02 59.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.454 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -58.68 -55.84 29.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.187 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 19.4 m -61.18 -38.07 85.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.476 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -65.96 -44.7 84.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.356 -175.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.17 -45.59 92.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.664 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -60.18 -47.61 85.23 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.705 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -43.9 97.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.731 0.301 . . . . 0.0 111.228 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1245 ' ' ALA . . . . . 0.528 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -69.52 -36.29 76.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.136 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -58.35 -51.82 68.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.292 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.42 -32.89 72.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.023 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -67.76 -47.97 58.18 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.124 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1249 ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' 1252 ' ' ALA . 31.2 tp -69.65 -27.18 64.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.613 0.244 . . . . 0.0 110.854 -178.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -57.28 -43.87 83.49 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.856 0.36 . . . . 0.0 110.428 175.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1251 ' ' GLN . . . . . 0.592 ' O ' ' HB ' ' A' 1254 ' ' THR . 44.4 tp60 -74.18 -35.43 63.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.601 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1252 ' ' ALA . . . . . 0.459 ' HB3' HD12 ' A' 1249 ' ' LEU . . . -61.16 -41.21 96.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.698 0.285 . . . . 0.0 110.921 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.66 -37.62 85.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.387 0.613 . . . . 0.0 109.787 173.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1254 ' ' THR . . . . . 0.592 ' HB ' ' O ' ' A' 1251 ' ' GLN . 25.6 m -56.8 -39.83 74.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.303 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' 1251 ' ' GLN . 18.1 mm-40 -58.29 -41.12 83.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.123 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1256 ' ' LEU . . . . . 0.515 ' HB3' HD21 ' A' 1335 ' ' LEU . 22.9 mt -64.22 -40.37 95.91 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.564 0.221 . . . . 0.0 110.596 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 44.8 t -60.57 -45.21 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.938 0.399 . . . . 0.0 110.425 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1258 ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' 1254 ' ' THR . 25.6 mm-40 -65.45 -42.81 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.206 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1259 ' ' ALA . . . . . 0.404 ' HB3' HD23 ' A' 1267 ' ' LEU . . . -62.28 -32.66 73.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.364 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1260 ' ' SER . . . . . . . . . . . . . 48.9 m -61.67 -28.62 69.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.183 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -102.28 13.86 33.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.272 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.47 -94.05 1.3 Allowed Glycine 0 N--CA 1.441 -1.019 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.936 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 14.3 p -136.85 156.15 76.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.455 0.169 . . . . 0.0 110.738 -174.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1264 ' ' PRO . . . . . 0.575 ' HA ' HD12 ' A' 1267 ' ' LEU . 24.2 Cg_exo -65.03 -26.87 58.03 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.581 2.187 . . . . 0.0 111.553 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -73.71 -38.19 64.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.56 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.37 -36.13 82.08 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' 1264 ' ' PRO . 55.1 mt -57.19 -50.71 71.99 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.818 173.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.11 92.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.122 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -63.82 -40.94 97.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.293 0.568 . . . . 0.0 110.2 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -65.41 -27.41 68.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.121 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1271 ' ' SER . . . . . 0.471 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 19.8 m -62.21 -46.52 88.52 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.823 0.344 . . . . 0.0 110.618 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1272 ' ' GLY . . . . . 0.527 ' O ' ' HG2' ' A' 1276 ' ' GLN . . . -69.0 -43.76 71.1 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.159 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -61.72 -32.75 73.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.303 -0.448 . . . . 0.0 111.347 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1274 ' ' PHE . . . . . 0.412 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 92.2 t80 -76.22 -48.71 19.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.653 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.05 -41.11 99.67 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.184 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1276 ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' 1272 ' ' GLY . 3.6 pt20 -64.25 -45.14 89.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.059 0.456 . . . . 0.0 111.229 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.96 -38.18 85.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.376 -177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.503 ' CE2' HG12 ' A' 1216 ' ' VAL . 62.1 t80 -54.32 -42.18 69.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.342 178.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 7.6 t -60.15 -42.83 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 24.2 m -57.69 -40.95 80.63 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.842 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1281 ' ' PHE . . . . . 0.528 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 85.7 t80 -71.13 -51.54 24.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.268 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.604 HD21 ' HB1' ' A' 1219 ' ' ALA . 31.5 tp -62.2 -43.93 97.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.364 -174.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.31 -31.28 71.12 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.825 0.345 . . . . 0.0 111.051 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -72.43 -38.16 68.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1285 ' ' GLY . . . . . 0.446 ' O ' ' HG2' ' A' 1288 ' ' MET . . . -68.19 -32.99 77.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.137 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.774 HG21 ' HB3' ' A' 1223 ' ' LEU . 56.8 t -72.16 -26.28 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.121 0.486 . . . . 0.0 110.346 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -62.13 -43.53 98.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.817 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.744 ' O ' ' HG2' ' A' 1291 ' ' GLN . 17.2 ptm -76.72 -23.68 53.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.726 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1289 ' ' ALA . . . . . 0.445 ' HA ' HG11 ' A' 1301 ' ' VAL . . . -62.3 -24.89 67.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.233 0.54 . . . . 0.0 109.988 172.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -76.63 -40.96 25.65 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.683 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.744 ' HG2' ' O ' ' A' 1288 ' ' MET . 25.2 pt20 -63.15 -24.4 67.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.702 0.251 . . . . 0.0 110.894 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -54.15 113.31 4.88 Favored Pre-proline 0 C--O 1.232 0.163 0 O-C-N 123.822 0.701 . . . . 0.0 111.434 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -77.03 -25.62 8.62 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.561 2.174 . . . . 0.0 112.148 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 13.9 m -114.79 145.87 41.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.79 -28.57 69.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.438 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -58.44 -45.58 88.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.29 -39.0 60.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 110.098 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' 1302 ' ' VAL . 72.7 ttt180 -58.78 -51.53 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.728 178.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.24 -43.92 92.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.522 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -57.58 -53.32 59.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.441 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.608 ' O ' ' HG ' ' A' 1305 ' ' LEU . 14.5 p -64.84 -35.81 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.011 -176.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' 1298 ' ' ARG . 73.2 t -63.79 -42.26 95.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 120.429 0.157 . . . . 0.0 111.207 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.0 p -70.46 -28.0 64.66 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1304 ' ' ASN . . . . . 0.515 ' HB3' ' HG ' ' A' 1349 ' ' LEU . 80.5 m-20 -66.85 -46.5 74.83 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.413 0.625 . . . . 0.0 109.358 172.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' 1301 ' ' VAL . 87.3 mt -60.48 -42.95 97.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.453 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.388 173.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.73 -53.37 44.43 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.24 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1308 ' ' ILE . . . . . 0.46 HG23 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -72.05 -36.91 58.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.229 -177.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1309 ' ' SER . . . . . 0.501 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 37.2 p -65.02 -45.63 84.71 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.754 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.48 ' O ' ' HD3' ' A' 1314 ' ' LYS . 49.5 mtt -67.72 -39.27 84.32 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.886 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 66.6 m -58.84 -41.29 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.378 . . . . 0.0 110.455 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 43.9 m -65.94 -38.87 89.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.467 0.651 . . . . 0.0 109.919 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.511 ' O ' ' HG ' ' A' 1317 ' ' LEU . 58.6 m -62.16 -51.59 67.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.683 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.588 ' HA ' HD11 ' A' 1317 ' ' LEU . 0.2 OUTLIER -61.46 -33.68 74.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.769 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 34.9 tp -61.83 -51.34 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.71 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.502 ' HB2' HD22 ' A' 1213 ' ' LEU . 99.4 mt -65.72 -30.1 70.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.067 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.588 HD11 ' HA ' ' A' 1314 ' ' LYS . 94.6 mt -59.1 -42.67 91.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.78 0.324 . . . . 0.0 110.342 175.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -68.71 -35.37 77.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.237 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.12 92.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.156 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1320 ' ' LYS . . . . . 0.624 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 46.6 mtmt -58.26 -50.78 72.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.263 0.554 . . . . 0.0 110.169 176.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.5 98.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.823 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.669 HD11 ' HD2' ' A' 1332 ' ' LYS . 28.0 tp -71.24 -31.39 67.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.728 -175.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 37.7 m -74.98 -19.97 59.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.979 0.419 . . . . 0.0 110.781 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 22.7 p -108.04 -4.12 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.139 0.495 . . . . 0.0 111.049 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -151.91 78.22 6.75 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.566 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -92.93 5.57 3.17 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.041 2.494 . . . . 0.0 114.198 -171.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -101.33 13.9 33.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 0.0 111.215 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 42.8 m -108.5 105.16 56.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.615 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.43 -37.84 96.16 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.307 2.671 . . . . 0.0 113.015 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -76.64 -17.63 59.05 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.292 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 16.8 tp -73.02 -31.36 64.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.669 ' HD2' HD11 ' A' 1322 ' ' LEU . 1.9 mptp? -63.18 -47.82 80.99 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 170.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 15.1 m -61.62 -41.64 97.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.289 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -62.56 -44.98 94.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.615 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1335 ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.3 tt -61.62 -45.76 92.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1336 ' ' ALA . . . . . 0.656 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -58.54 -41.3 85.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.772 178.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.33 91.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.867 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1338 ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.04 82.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.598 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.55 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1340 ' ' ARG . . . . . 0.656 ' HG2' ' O ' ' A' 1336 ' ' ALA . 28.3 mmt180 -68.43 -33.96 75.13 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.73 79.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.867 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1342 ' ' VAL . . . . . . . . . . . . . 95.0 t -62.88 -52.62 57.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 74.1 m -62.05 -38.44 88.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.675 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1344 ' ' ASP . . . . . 0.595 ' O ' ' HG2' ' A' 1348 ' ' GLN . 14.4 t70 -57.13 -50.62 72.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.809 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 17.5 m -64.56 -35.69 81.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.457 ' O ' HG12 ' A' 1350 ' ' ILE . 85.5 mt -59.89 -48.37 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.24 -40.94 97.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.062 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1348 ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' 1344 ' ' ASP . 75.5 mm-40 -55.42 -35.96 65.95 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.612 178.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.515 ' HG ' ' HB3' ' A' 1304 ' ' ASN . 5.7 mt -69.82 -57.48 5.03 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.106 176.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' 1346 ' ' ILE . 48.8 mm -55.2 -43.03 68.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.467 -175.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 85.9 m -56.25 -39.18 72.18 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.556 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1352 ' ' MET . . . . . 0.68 ' HE1' ' HA ' ' A' 1352 ' ' MET . 25.3 mmt -81.02 -39.28 26.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.063 0.458 . . . . 0.0 110.908 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.413 ' SG ' ' HE2' ' A' 1288 ' ' MET . 60.0 m . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.485 -172.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.384 0.135 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -63.88 -36.06 82.7 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.507 HG23 ' HD2' ' A' 1320 ' ' LYS . 29.7 m -72.4 -28.88 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.405 0.622 . . . . 0.0 110.009 -175.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.21 -38.99 21.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.695 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 52.0 t30 -64.83 -34.66 78.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.648 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.75 78.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.74 -33.64 76.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 110.778 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1214 ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' 1214 ' ' ARG . 14.3 ttp180 -64.88 -37.38 87.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.096 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.0 78.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.497 ' HA ' ' CE2' ' A' 1278 ' ' PHE . 95.9 t -63.84 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -68.48 -48.33 51.72 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.715 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -56.59 -52.06 66.26 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 122.348 0.259 . . . . 0.0 110.919 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1219 ' ' ALA . . . . . 0.435 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -56.82 -48.38 78.13 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.995 -177.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 25.0 t -60.36 -51.62 68.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.836 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -72.73 -38.26 67.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -174.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -73.11 -33.81 65.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.775 0.321 . . . . 0.0 111.123 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.747 ' HB3' HG21 ' A' 1286 ' ' VAL . 90.7 mt -89.62 -62.83 1.39 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.636 -176.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1224 ' ' LEU . . . . . 0.41 HD11 ' O ' ' A' 1224 ' ' LEU . 1.2 pp . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 121.323 0.582 . . . . 0.0 111.511 -175.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 120.814 0.34 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -66.2 -54.42 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.215 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -75.24 -40.67 58.79 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -174.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.62 -50.31 65.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.36 -177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 20.2 m -66.27 -40.33 90.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.639 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -66.14 -38.47 88.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.875 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.505 HD23 ' HB2' ' A' 1284 ' ' ALA . 1.9 mm? -54.77 -39.81 68.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.162 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -70.36 -46.35 64.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -175.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -47.48 81.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.069 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -65.48 -36.88 85.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.85 90.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.094 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.5 97.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.324 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.63 -38.54 96.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.214 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1249 ' ' LEU . . . . . 0.451 HD21 HD12 ' A' 1308 ' ' ILE . 29.9 tp -77.33 -32.96 55.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.681 0.277 . . . . 0.0 110.585 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -57.7 -51.98 67.33 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.454 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1251 ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' A' 1255 ' ' GLU . 21.6 tt0 -66.56 -32.91 74.55 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.635 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1252 ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -58.75 -41.56 86.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.946 0.403 . . . . 0.0 110.719 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.41 90.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.207 0.527 . . . . 0.0 110.063 175.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 78.1 m -59.19 -44.26 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.034 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' 1251 ' ' GLN . 43.3 mt-10 -65.02 -35.29 80.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1256 ' ' LEU . . . . . 0.63 ' HB3' HD22 ' A' 1335 ' ' LEU . 13.7 mt -59.88 -43.13 94.91 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.687 0.279 . . . . 0.0 110.349 173.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 74.2 t -61.77 -43.62 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.724 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1258 ' ' GLN . . . . . 0.44 ' HA ' ' OE1' ' A' 1258 ' ' GLN . 12.8 mm-40 -66.05 -45.97 79.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.604 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.13 74.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.109 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1260 ' ' SER . . . . . . . . . . . . . 70.9 m -52.93 -38.97 62.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.966 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -107.32 25.21 11.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.653 0.263 . . . . 0.0 111.315 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.44 -83.36 0.61 Allowed Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 55.7 p -139.83 144.86 40.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1264 ' ' PRO . . . . . 0.489 ' HA ' HD21 ' A' 1267 ' ' LEU . 49.8 Cg_exo -57.45 -30.4 87.97 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.622 2.215 . . . . 0.0 111.841 175.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -69.2 -31.24 69.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.019 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.76 -33.83 74.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.471 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.489 HD21 ' HA ' ' A' 1264 ' ' PRO . 3.7 mm? -53.0 -39.6 63.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.454 174.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -64.37 -45.98 85.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.967 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -57.99 -44.12 86.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.429 0.633 . . . . 0.0 109.503 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -67.82 -39.33 83.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.836 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1271 ' ' SER . . . . . 0.412 ' OG ' HG13 ' A' 1209 ' ' VAL . 49.8 m -62.19 -43.32 99.09 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.555 -177.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.57 -44.98 96.35 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.155 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -65.69 -49.54 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.703 0.287 . . . . 0.0 111.136 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1274 ' ' PHE . . . . . 0.615 ' CZ ' HD22 ' A' 1315 ' ' LEU . 39.7 t80 -58.05 -40.65 81.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.258 -175.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -73.57 -34.23 57.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.446 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -73.51 -51.92 15.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.632 0.253 . . . . 0.0 111.206 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -63.76 -26.79 68.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.871 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.631 ' CE1' ' HA ' ' A' 1309 ' ' SER . 84.4 t80 -58.09 -50.15 74.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.358 175.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 10.7 m -56.35 -46.9 79.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 11.2 m -57.4 -46.17 83.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.005 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 91.0 t80 -66.88 -46.26 75.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.435 HD23 ' HB1' ' A' 1219 ' ' ALA . 23.0 tp -66.35 -38.53 87.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -176.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1283 ' ' GLU . . . . . 0.425 ' HG2' HD21 ' A' 1223 ' ' LEU . 48.4 mt-10 -62.95 -38.65 91.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.813 0.34 . . . . 0.0 110.688 176.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1284 ' ' ALA . . . . . 0.505 ' HB2' HD23 ' A' 1242 ' ' LEU . . . -66.77 -33.9 76.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.103 176.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.38 -39.92 97.92 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.686 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' 1223 ' ' LEU . 47.1 t -67.32 -39.15 82.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.05 0.453 . . . . 0.0 110.019 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.34 -47.59 81.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.945 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.65 ' O ' ' HG2' ' A' 1291 ' ' GLN . 5.0 ptm -73.87 -24.97 59.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.183 0.516 . . . . 0.0 110.508 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1289 ' ' ALA . . . . . 0.705 ' HB3' ' HG3' ' A' 1298 ' ' ARG . . . -70.65 -8.15 49.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.401 0.62 . . . . 0.0 109.899 173.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -88.89 -35.89 8.05 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.103 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.65 ' HG2' ' O ' ' A' 1288 ' ' MET . 20.8 pt20 -70.66 -20.91 62.66 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1292 ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -59.42 117.21 20.31 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.273 176.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1293 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.0 Cg_exo -72.88 -16.8 25.91 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.984 2.456 . . . . 0.0 112.449 -175.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 19.2 m -121.59 142.66 49.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.25 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -66.7 -40.18 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.998 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.9 -40.24 94.78 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.43 -41.25 89.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.835 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.705 ' HG3' ' HB3' ' A' 1289 ' ' ALA . 12.7 ttp180 -64.71 -37.88 89.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.622 176.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -62.17 -37.8 86.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.977 0.417 . . . . 0.0 110.366 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -59.79 -51.78 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.249 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.585 ' O ' ' HG ' ' A' 1305 ' ' LEU . 6.9 p -67.54 -35.46 73.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.195 -177.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' 1298 ' ' ARG . 53.0 t -61.76 -39.83 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.721 0.296 . . . . 0.0 110.877 177.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 43.9 t -63.03 -41.15 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.777 0.322 . . . . 0.0 110.353 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1304 ' ' ASN . . . . . 0.517 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 34.7 m-20 -62.03 -39.8 93.54 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.334 0.588 . . . . 0.0 109.647 177.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.3 mt -64.57 -38.87 92.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.627 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -61.42 -38.41 87.03 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.59 -52.32 51.06 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.047 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1308 ' ' ILE . . . . . 0.451 HD12 HD21 ' A' 1249 ' ' LEU . 0.0 OUTLIER -71.62 -35.34 55.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.859 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1309 ' ' SER . . . . . 0.631 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 66.3 m -60.9 -49.87 75.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.929 0.395 . . . . 0.0 110.827 177.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.412 ' O ' ' HG3' ' A' 1314 ' ' LYS . 9.3 mmt -62.22 -46.28 89.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.866 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1311 ' ' SER . . . . . 0.408 ' C ' HG21 ' A' 1342 ' ' VAL . 42.0 m -59.49 -41.26 89.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.636 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 39.0 t -63.32 -49.34 74.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.398 0.618 . . . . 0.0 110.014 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1313 ' ' SER . . . . . . . . . . . . . 42.2 t -52.09 -52.61 50.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.212 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.473 ' HA ' HD13 ' A' 1317 ' ' LEU . 62.5 mttm -73.52 -24.78 60.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.562 -174.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1315 ' ' LEU . . . . . 0.615 HD22 ' CZ ' ' A' 1274 ' ' PHE . 38.0 tp -66.28 -42.96 87.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.138 0.494 . . . . 0.0 109.668 173.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1316 ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.08 -33.8 76.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.729 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' 1314 ' ' LYS . 90.6 mt -59.36 -30.64 68.54 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.718 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.95 -40.99 75.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.214 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.99 76.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1320 ' ' LYS . . . . . 0.507 ' HD2' HG23 ' A' 1209 ' ' VAL . 19.0 mmmt -51.12 -56.34 13.22 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.547 175.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -73.12 -32.35 64.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.035 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.593 HD11 ' HD2' ' A' 1332 ' ' LYS . 30.4 tp -68.01 -24.19 65.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.196 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 16.5 t -74.82 -41.06 60.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 5.5 m -69.84 -46.05 66.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.211 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -119.56 91.31 44.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -92.43 6.84 3.18 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.824 2.349 . . . . 0.0 113.077 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -107.0 7.91 30.12 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 5.0 p -105.92 108.15 61.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.768 0.318 . . . . 0.0 111.169 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -56.98 -35.62 98.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.887 2.391 . . . . 0.0 112.448 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 10.2 t30 -67.93 -29.39 68.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.847 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 14.5 tp -70.84 -34.75 71.99 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.593 ' HD2' HD11 ' A' 1322 ' ' LEU . 3.1 mptp? -64.04 -46.15 85.69 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.349 0.595 . . . . 0.0 109.495 172.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 23.1 t -63.32 -39.06 93.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.807 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.23 -37.86 88.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.671 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1335 ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' 1256 ' ' LEU . 10.2 tt -67.56 -47.15 70.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1336 ' ' ALA . . . . . 0.606 ' O ' ' HD3' ' A' 1340 ' ' ARG . . . -56.98 -40.13 75.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.993 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -63.74 -43.49 96.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.45 ' O ' HG22 ' A' 1342 ' ' VAL . . . -67.72 -33.53 75.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.857 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1339 ' ' ALA . . . . . 0.524 ' HA ' HD21 ' A' 1315 ' ' LEU . . . -61.96 -36.92 82.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1340 ' ' ARG . . . . . 0.606 ' HD3' ' O ' ' A' 1336 ' ' ALA . 6.4 mpt_? -65.74 -36.83 84.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.234 176.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.02 91.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.764 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' 1346 ' ' ILE . 48.4 t -64.23 -52.21 58.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.334 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.7 m -60.84 -33.77 73.55 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.773 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -58.11 -58.2 9.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.339 176.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1345 ' ' SER . . . . . 0.429 ' CB ' ' HB ' ' A' 1308 ' ' ILE . 51.1 m -60.34 -35.29 75.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.396 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' 1342 ' ' VAL . 93.2 mt -62.31 -55.45 23.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 3.1 p30 -75.71 -29.19 58.88 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.292 -172.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -71.75 -35.08 70.0 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.65 178.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.97 -47.13 87.09 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' 1346 ' ' ILE . 35.1 mm -64.39 -36.97 78.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.953 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 92.8 m -62.58 -42.13 99.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 111.064 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 86.6 mtp -72.28 -49.9 31.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.057 0.456 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.523 ' HB3' ' HE3' ' A' 1288 ' ' MET . 70.1 m . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.366 -173.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 . . . . . 0 N--CA 1.463 0.195 0 CA-C-O 121.485 0.66 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.23 -46.44 54.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.653 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1209 ' ' VAL . . . . . . . . . . . . . 29.2 m -63.9 -30.05 48.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 121.062 0.458 . . . . 0.0 110.818 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.81 -41.67 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.158 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.36 -36.8 81.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.228 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1212 ' ' ALA . . . . . 0.438 ' O ' HG21 ' A' 1216 ' ' VAL . . . -59.25 -49.32 78.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.27 176.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1213 ' ' LEU . . . . . 0.423 HD22 ' HB2' ' A' 1316 ' ' LEU . 33.2 mt -64.16 -38.85 92.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.755 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -57.85 -45.91 85.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.232 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.76 79.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' 1212 ' ' ALA . 96.6 t -58.92 -42.66 86.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.795 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.29 -46.79 92.13 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.42 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -64.45 -43.49 94.12 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.667 0.27 . . . . 0.0 110.63 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1219 ' ' ALA . . . . . 0.612 ' HB3' HD22 ' A' 1282 ' ' LEU . . . -62.18 -50.96 69.73 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.608 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 41.6 m -62.29 -40.92 97.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.837 0.351 . . . . 0.0 111.178 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 83.8 tttt -67.72 -45.22 75.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.056 0.455 . . . . 0.0 110.846 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1222 ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' 1222 ' ' ARG . 37.8 ttp-105 -78.29 -50.36 11.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.742 -176.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.501 ' O ' HG21 ' A' 1286 ' ' VAL . 97.2 mt -81.25 -10.78 59.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -168.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.209 0.528 . . . . 0.0 109.863 170.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 52.4 tt0 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.937 0.398 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.18 -42.72 99.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.965 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.53 71.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.008 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.1 -46.34 87.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 32.5 p -65.65 -36.73 84.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.003 0.43 . . . . 0.0 110.337 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 17.2 ttp-105 -69.11 -40.91 78.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.419 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.551 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 37.0 tp -61.63 -44.17 97.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.156 174.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -57.98 -43.54 86.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.236 177.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.58 -48.04 79.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.29 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1245 ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' 1281 ' ' PHE . . . -63.89 -36.48 84.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.03 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -62.02 -49.14 77.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.23 -38.69 80.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.436 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.39 -47.88 74.62 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.21 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1249 ' ' LEU . . . . . 0.431 HD12 ' HB2' ' A' 1252 ' ' ALA . 33.6 tp -69.48 -32.66 71.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.654 0.264 . . . . 0.0 110.823 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -57.69 -44.73 86.02 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.054 0.454 . . . . 0.0 109.986 173.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1251 ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' 1255 ' ' GLU . 24.4 tt0 -69.62 -37.21 76.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.24 177.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1252 ' ' ALA . . . . . 0.809 ' HB3' ' HA ' ' A' 1274 ' ' PHE . . . -58.32 -44.46 88.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.946 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1253 ' ' ALA . . . . . 0.536 ' O ' HG21 ' A' 1257 ' ' VAL . . . -64.69 -39.19 93.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.946 175.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1254 ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' 1251 ' ' GLN . 98.9 m -58.56 -46.82 86.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.805 176.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' 1251 ' ' GLN . 10.3 mm-40 -55.28 -47.77 75.03 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.384 176.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1256 ' ' LEU . . . . . 0.55 ' HA ' ' HB3' ' A' 1270 ' ' ALA . 19.0 tp -62.14 -44.56 96.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.571 -178.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1257 ' ' VAL . . . . . 0.536 HG21 ' O ' ' A' 1253 ' ' ALA . 98.9 t -57.24 -51.92 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 120.671 0.272 . . . . 0.0 111.007 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.81 -44.4 96.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.958 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -66.7 -36.5 82.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.86 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1260 ' ' SER . . . . . . . . . . . . . 48.7 m -68.29 -19.4 64.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.065 0.46 . . . . 0.0 111.536 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -101.7 11.74 38.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.086 0.469 . . . . 0.0 109.908 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.14 -93.53 1.11 Allowed Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.111 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 15.5 p -133.21 155.16 81.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.539 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -57.13 -33.45 95.86 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.232 2.622 . . . . 0.0 112.077 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -70.88 -42.8 69.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.049 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -70.81 -36.96 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 63.5 tp -55.47 -42.42 74.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.759 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.04 75.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -58.82 -41.31 86.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 109.851 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1270 ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' 1256 ' ' LEU . . . -63.73 -35.59 81.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.445 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 22.2 m -61.88 -47.7 83.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.408 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -66.42 -37.58 92.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.638 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1273 ' ' ARG . . . . . 0.458 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 12.4 tpp180 -55.51 -57.84 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 110.732 174.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1274 ' ' PHE . . . . . 0.809 ' HA ' ' HB3' ' A' 1252 ' ' ALA . 71.9 t80 -60.92 -45.92 92.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.525 -174.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.57 -34.29 89.07 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.516 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1276 ' ' GLN . . . . . 0.441 HE21 ' HB3' ' A' 1276 ' ' GLN . 1.0 OUTLIER -70.24 -50.59 38.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.736 0.303 . . . . 0.0 110.603 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.25 -32.28 73.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.17 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.601 ' HE1' ' HA ' ' A' 1309 ' ' SER . 81.7 t80 -59.97 -46.12 90.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.802 176.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1279 ' ' SER . . . . . 0.522 ' O ' ' HG3' ' A' 1283 ' ' GLU . 22.8 t -58.05 -49.67 76.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.21 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 23.3 m -59.42 -42.41 91.76 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.029 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1281 ' ' PHE . . . . . 0.511 ' HA ' ' HB3' ' A' 1245 ' ' ALA . 76.9 t80 -62.2 -48.76 78.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.855 178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' 1219 ' ' ALA . 24.2 tp -64.29 -38.94 92.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.987 -176.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1283 ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' 1279 ' ' SER . 44.1 mt-10 -60.53 -41.2 93.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.7 0.286 . . . . 0.0 110.898 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -75.91 -38.63 57.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.957 0.408 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.11 -46.84 93.17 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.556 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.501 HG21 ' O ' ' A' 1223 ' ' LEU . 7.6 p -74.1 -24.04 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 122.575 -0.368 . . . . 0.0 110.62 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1287 ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' 1291 ' ' GLN . 38.6 tt0 -58.41 -49.78 76.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.137 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.513 ' HE3' ' HB3' ' A' 1353 ' ' CYS . 22.2 ptm -72.76 -26.86 61.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 110.414 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1289 ' ' ALA . . . . . 0.437 ' HA ' HG13 ' A' 1301 ' ' VAL . . . -65.11 -29.01 69.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -82.36 -10.27 83.81 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.318 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' 1287 ' ' GLU . 46.9 mm-40 -93.22 -7.57 44.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 110.23 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -67.39 119.3 64.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.317 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -69.01 -31.9 22.83 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.916 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1294 ' ' SER . . . . . 0.456 ' HB2' ' HB2' ' A' 1297 ' ' ASP . 22.8 m -101.19 134.48 44.16 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.307 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.54 -39.53 88.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.113 0.482 . . . . 0.0 110.067 178.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.96 -29.92 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.323 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1297 ' ' ASP . . . . . 0.456 ' HB2' ' HB2' ' A' 1294 ' ' SER . 11.8 t70 -74.7 -36.99 62.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.657 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.458 ' O ' HG22 ' A' 1302 ' ' VAL . 50.2 ttt180 -64.75 -41.54 95.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.043 176.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -55.65 -35.7 66.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.033 0.444 . . . . 0.0 110.779 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1300 ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' 1297 ' ' ASP . 27.4 tt0 -59.96 -50.62 73.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.83 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.499 ' HA ' ' ND2' ' A' 1304 ' ' ASN . 7.7 p -76.52 -30.44 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.998 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.493 ' HA ' HD12 ' A' 1305 ' ' LEU . 61.5 t -63.99 -35.19 72.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 120.758 0.313 . . . . 0.0 110.244 175.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 69.8 m -60.53 -41.88 95.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.946 0.403 . . . . 0.0 110.352 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1304 ' ' ASN . . . . . 0.662 ' CB ' ' HG ' ' A' 1349 ' ' LEU . 33.2 m-20 -63.93 -45.39 89.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.613 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' 1302 ' ' VAL . 93.2 mt -58.47 -51.38 70.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.025 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -58.57 -45.73 88.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.738 0.304 . . . . 0.0 110.711 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -55.07 -50.8 57.7 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.588 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1308 ' ' ILE . . . . . 0.442 HG23 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -74.28 -39.59 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.893 -178.249 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1309 ' ' SER . . . . . 0.601 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 49.0 m -62.01 -50.16 73.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.63 0.252 . . . . 0.0 111.181 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1310 ' ' MET . . . . . . . . . . . . . 54.2 mtt -64.64 -40.03 94.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.885 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1311 ' ' SER . . . . . 0.542 ' HA ' ' HD2' ' A' 1314 ' ' LYS . 51.4 m -63.46 -35.03 79.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.623 0.249 . . . . 0.0 110.839 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 62.2 m -65.5 -40.53 93.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.526 0.679 . . . . 0.0 110.135 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.56 ' O ' ' HG ' ' A' 1317 ' ' LEU . 45.5 t -59.99 -52.78 63.9 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.229 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.542 ' HD2' ' HA ' ' A' 1311 ' ' SER . 51.1 mttm -57.42 -39.86 77.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.109 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1315 ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' 1339 ' ' ALA . 34.8 tp -59.45 -48.09 82.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.009 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.423 ' HB2' HD22 ' A' 1213 ' ' LEU . 96.2 mt -70.28 -26.73 63.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.484 -177.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' 1313 ' ' SER . 94.0 mt -59.51 -41.72 90.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.978 0.418 . . . . 0.0 109.912 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.03 -38.57 75.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.687 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.98 99.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -58.4 -47.98 82.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.348 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.36 68.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.0 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.54 HD11 ' HZ2' ' A' 1332 ' ' LYS . 28.8 tp -76.63 -26.28 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.306 -177.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 98.4 p -74.21 -23.85 59.25 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.382 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 11.2 t -95.14 -26.29 16.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1325 ' ' ASP . . . . . 0.439 ' O ' HD12 ' A' 1322 ' ' LEU . 12.0 t70 -134.02 90.69 25.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.304 175.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -91.01 19.69 1.08 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.755 2.303 . . . . 0.0 112.287 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -104.16 -45.39 4.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.738 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 42.4 m -59.16 113.41 6.83 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.985 -174.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.66 -32.18 58.09 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.68 2.254 . . . . 0.0 111.746 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 46.8 t30 -60.51 -38.71 85.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.159 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 17.3 tp -68.27 -37.27 80.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.29 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.54 ' HZ2' HD11 ' A' 1322 ' ' LEU . 5.0 mptp? -61.23 -50.04 74.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.963 0.411 . . . . 0.0 110.28 173.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 13.2 t -63.7 -39.2 93.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.832 -177.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -61.62 -47.78 83.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.83 0.348 . . . . 0.0 110.494 177.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.19 -47.71 84.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.937 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.39 -39.68 80.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.79 -42.84 80.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.023 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' 1342 ' ' VAL . . . -66.63 -39.09 88.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.764 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1339 ' ' ALA . . . . . 0.547 ' HA ' HD23 ' A' 1315 ' ' LEU . . . -61.35 -42.18 98.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.671 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -62.44 -38.9 91.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.082 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.96 91.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.557 ' O ' HG13 ' A' 1346 ' ' ILE . 91.8 t -62.78 -52.43 59.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.076 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1343 ' ' THR . . . . . 0.461 ' HA ' HD11 ' A' 1346 ' ' ILE . 79.3 m -60.17 -38.56 83.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.58 -42.96 89.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.805 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 18.5 m -73.92 -34.58 64.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.897 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' 1342 ' ' VAL . 95.3 mt -59.36 -54.86 28.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.817 0.342 . . . . 0.0 110.821 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 8.9 p30 -70.68 -28.37 64.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.278 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.64 -44.13 96.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.086 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.74 HD23 ' HG ' ' A' 1353 ' ' CYS . 2.3 tt -62.04 -48.33 80.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.551 ' CD1' ' HG ' ' A' 1242 ' ' LEU . 43.2 mm -61.37 -55.39 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.077 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 33.3 m -61.86 -38.54 88.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.917 -175.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 27.4 ttt -74.05 -33.82 63.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.772 0.32 . . . . 0.0 111.178 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.74 ' HG ' HD23 ' A' 1349 ' ' LEU . 93.2 m . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 . . . . . 0 C--O 1.224 -0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.2 -24.06 64.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -173.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.468 ' O ' ' HG ' ' A' 1213 ' ' LEU . 10.6 m -81.33 -29.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 119.806 -0.757 . . . . 0.0 109.493 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 20.3 t70 -82.64 -41.53 19.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.584 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -63.65 -38.17 90.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.827 178.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1212 ' ' ALA . . . . . 0.42 ' O ' HG21 ' A' 1216 ' ' VAL . . . -60.18 -45.63 92.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.191 176.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1213 ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' 1209 ' ' VAL . 61.7 mt -61.95 -38.29 87.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.738 177.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1214 ' ' ARG . . . . . 0.435 ' HA ' ' NE ' ' A' 1214 ' ' ARG . 0.0 OUTLIER -59.79 -48.14 82.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.997 177.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.57 77.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.194 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.47 HG13 ' CE2' ' A' 1278 ' ' PHE . 89.9 t -63.15 -54.38 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.45 -43.83 96.14 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.975 -0.557 . . . . 0.0 113.033 -174.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.01 -46.58 77.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.715 0.293 . . . . 0.0 111.392 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.44 91.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.537 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1220 ' ' SER . . . . . 0.585 ' HA ' HD21 ' A' 1282 ' ' LEU . 30.3 t -57.05 -38.17 72.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.059 -178.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 61.7 mttp -78.84 -52.02 8.91 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 48.9 mtm105 -77.11 -31.95 56.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.458 ' HB3' HG21 ' A' 1286 ' ' VAL . 60.2 mt -71.06 -55.48 8.15 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.389 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1224 ' ' LEU . . . . . 0.507 ' O ' HD13 ' A' 1224 ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 122.095 0.95 . . . . 0.0 110.957 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 N--CA 1.47 0.534 0 CA-C-O 120.61 0.243 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.1 -41.55 83.73 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.49 0.662 . . . . 0.0 109.824 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -74.54 -24.78 59.01 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.51 -172.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1239 ' ' GLN . . . . . 0.553 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 42.4 tt0 -71.94 -58.66 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.362 -171.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.3 m -65.26 -31.11 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.186 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -67.68 -43.96 78.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.816 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.546 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 61.2 tp -68.21 -41.64 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.695 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -57.69 -36.69 72.29 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.195 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.3 -52.13 37.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.462 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.91 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.46 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1246 ' ' ALA . . . . . 0.645 ' HB2' HD13 ' A' 1350 ' ' ILE . . . -56.78 -53.16 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.271 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -64.73 -37.91 89.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.852 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.31 -47.71 77.04 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.409 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 29.2 tp -70.92 -36.19 72.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.64 0.257 . . . . 0.0 110.837 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1250 ' ' ASN . . . . . 0.465 ' OD1' ' HA ' ' A' 1343 ' ' THR . 20.2 m-20 -60.81 -41.75 96.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 110.368 175.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1251 ' ' GLN . . . . . 0.482 ' O ' ' HB ' ' A' 1254 ' ' THR . 0.9 OUTLIER -67.89 -37.69 82.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.89 177.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.26 99.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.834 0.349 . . . . 0.0 110.83 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.78 94.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.325 0.583 . . . . 0.0 109.918 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1254 ' ' THR . . . . . 0.482 ' HB ' ' O ' ' A' 1251 ' ' GLN . 94.7 m -58.52 -38.81 78.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.753 176.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' 1251 ' ' GLN . 38.3 mt-10 -63.71 -38.8 92.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.014 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.41 -33.33 75.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.579 0.228 . . . . 0.0 110.56 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 43.6 t -68.39 -42.93 84.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.071 0.462 . . . . 0.0 110.142 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1258 ' ' GLN . . . . . 0.561 ' HA ' ' CZ ' ' A' 1261 ' ' ARG . 27.3 mt-30 -66.73 -33.6 75.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.75 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -78.89 -27.6 43.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.004 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1260 ' ' SER . . . . . 0.532 ' OG ' ' HA ' ' A' 1332 ' ' LYS . 35.1 t -52.97 -55.04 26.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.826 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1261 ' ' ARG . . . . . 0.561 ' CZ ' ' HA ' ' A' 1258 ' ' GLN . 1.7 ppt_? -95.62 32.75 1.75 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.549 0.69 . . . . 0.0 110.35 176.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -119.73 -98.87 1.77 Allowed Glycine 0 N--CA 1.436 -1.341 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 80.5 p -147.89 154.89 44.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.932 0.366 . . . . 0.0 110.994 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1264 ' ' PRO . . . . . 0.709 ' HA ' HD12 ' A' 1267 ' ' LEU . 45.0 Cg_exo -58.68 -32.39 96.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.737 2.291 . . . . 0.0 111.23 173.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -61.71 -38.64 88.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.399 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.13 -32.8 38.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.194 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' 1264 ' ' PRO . 57.9 mt -55.53 -42.55 74.72 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 174.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -59.62 -51.6 69.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.133 0.492 . . . . 0.0 110.421 176.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -54.35 -47.84 72.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.457 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.74 98.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.091 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 44.4 m -56.32 -43.6 79.16 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.963 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -61.0 -47.47 91.12 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.721 -175.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -71.92 -38.97 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.546 -0.385 . . . . 0.0 110.985 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1274 ' ' PHE . . . . . 0.492 ' HD2' HD22 ' A' 1316 ' ' LEU . 67.6 t80 -60.67 -48.05 83.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.783 0.325 . . . . 0.0 110.5 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -68.3 -40.43 87.35 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.686 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -68.32 -46.62 69.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.624 0.25 . . . . 0.0 111.311 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.19 -30.0 67.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.447 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.47 ' CE2' HG13 ' A' 1216 ' ' VAL . 70.4 t80 -57.32 -38.12 73.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.622 176.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1279 ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' 1283 ' ' GLU . 8.1 t -58.93 -44.7 91.41 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 25.4 m -66.12 -41.54 90.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1281 ' ' PHE . . . . . 0.4 ' HE2' HG23 ' A' 1308 ' ' ILE . 77.8 t80 -60.45 -49.55 77.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.246 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.585 HD21 ' HA ' ' A' 1220 ' ' SER . 34.1 tp -64.09 -38.44 91.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.372 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1283 ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' 1279 ' ' SER . 43.0 mt-10 -56.24 -45.27 80.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.707 0.289 . . . . 0.0 110.772 177.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.03 77.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.123 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1285 ' ' GLY . . . . . 0.496 ' HA3' HD23 ' A' 1305 ' ' LEU . . . -67.33 -43.06 89.35 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.216 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' 1223 ' ' LEU . 21.5 t -71.37 -31.53 43.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.099 0.476 . . . . 0.0 110.093 178.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -58.86 -47.96 83.05 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.466 175.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.801 ' HE1' ' HA ' ' A' 1353 ' ' CYS . 13.7 ptm -70.94 -23.78 62.3 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.416 -176.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -60.4 -19.25 55.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.946 0.403 . . . . 0.0 110.498 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -76.05 -32.51 52.59 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.484 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1291 ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -85.56 7.01 24.67 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.132 0.491 . . . . 0.0 110.786 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -100.2 105.31 35.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.472 171.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.1 -35.43 2.4 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.723 2.282 . . . . 0.0 113.25 -176.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1294 ' ' SER . . . . . 0.616 ' HB2' ' HB3' ' A' 1297 ' ' ASP . 15.2 m -74.91 140.0 43.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.609 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -40.79 81.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.551 -174.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -80.11 -32.14 39.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.067 0.46 . . . . 0.0 110.236 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1297 ' ' ASP . . . . . 0.616 ' HB3' ' HB2' ' A' 1294 ' ' SER . 32.6 t70 -64.08 -40.92 97.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.568 173.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.49 ' O ' HG22 ' A' 1302 ' ' VAL . 38.9 ttm180 -67.38 -40.05 85.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.856 175.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.29 76.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.07 -46.78 85.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.037 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.525 ' HA ' ' ND2' ' A' 1304 ' ' ASN . 4.7 p -69.52 -34.75 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.829 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.541 ' HA ' HD12 ' A' 1305 ' ' LEU . 98.3 t -66.43 -32.74 59.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.982 0.42 . . . . 0.0 110.65 176.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 46.4 m -64.89 -40.13 94.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.408 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1304 ' ' ASN . . . . . 0.544 ' HB3' ' HG ' ' A' 1349 ' ' LEU . 54.5 m-20 -60.18 -43.07 96.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.666 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' 1302 ' ' VAL . 94.4 mt -56.53 -51.93 66.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.871 -1.058 . . . . 0.0 111.024 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -59.51 -48.35 82.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.663 0.268 . . . . 0.0 110.34 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -50.65 -49.11 41.46 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.906 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1308 ' ' ILE . . . . . 0.422 HD12 ' O ' ' A' 1308 ' ' ILE . 0.0 OUTLIER -78.22 -34.26 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 122.667 -0.313 . . . . 0.0 110.886 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 63.3 m -62.46 -48.18 80.78 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.959 0.409 . . . . 0.0 110.922 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.541 ' O ' ' HG3' ' A' 1314 ' ' LYS . 0.2 OUTLIER -65.34 -42.89 92.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.692 178.715 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.9 m -62.64 -38.61 90.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.796 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 42.1 t -60.99 -44.08 97.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.7 0.762 . . . . 0.0 109.217 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.59 ' O ' ' HG ' ' A' 1317 ' ' LEU . 52.3 m -60.36 -49.67 76.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.685 175.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' 1310 ' ' MET . 65.1 mttm -58.78 -39.99 82.68 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.186 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1315 ' ' LEU . . . . . 0.578 HD21 ' HA ' ' A' 1339 ' ' ALA . 42.0 tp -62.49 -47.74 82.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.492 HD22 ' HD2' ' A' 1274 ' ' PHE . 80.9 mt -65.9 -30.07 70.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.921 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' 1313 ' ' SER . 91.7 mt -65.37 -39.52 92.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.34 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.09 -39.31 86.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.225 175.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.09 95.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.944 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -56.21 -52.45 64.37 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.998 0.428 . . . . 0.0 110.477 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.29 82.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.765 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1322 ' ' LEU . . . . . . . . . . . . . 34.4 tp -72.7 -26.52 61.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.044 0.449 . . . . 0.0 110.817 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 51.1 m -76.81 -25.92 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.956 0.408 . . . . 0.0 110.629 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 13.9 p -90.73 -30.58 16.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.087 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -131.68 74.72 77.46 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.26 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1326 ' ' PRO . . . . . 0.491 ' HB3' ' HG3' ' A' 1264 ' ' PRO . 69.2 Cg_endo -78.75 -5.9 14.95 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.579 2.186 . . . . 0.0 113.254 -174.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -97.08 10.55 39.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.839 0.352 . . . . 0.0 110.941 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 17.9 t -98.53 104.85 26.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1329 ' ' PRO . . . . . 0.493 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 27.2 Cg_exo -63.25 -27.73 72.39 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.101 2.534 . . . . 0.0 112.847 -175.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 44.3 t30 -60.94 -38.04 84.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1331 ' ' LEU . . . . . 0.466 ' HA ' ' HB3' ' A' 1334 ' ' GLN . 10.9 mp -66.67 -26.13 66.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.604 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.532 ' HA ' ' OG ' ' A' 1260 ' ' SER . 1.3 mptm? -63.32 -50.46 69.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.701 0.286 . . . . 0.0 110.641 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 3.8 p -74.27 -31.55 62.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.084 0.468 . . . . 0.0 110.595 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1334 ' ' GLN . . . . . 0.466 ' HB3' ' HA ' ' A' 1331 ' ' LEU . 26.8 tt0 -60.42 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.263 176.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1335 ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' 1260 ' ' SER . 9.8 tt -64.16 -43.48 95.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.029 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.48 78.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.121 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.92 85.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.861 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.94 -36.94 84.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.597 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1339 ' ' ALA . . . . . 0.578 ' HA ' HD21 ' A' 1315 ' ' LEU . . . -61.84 -43.36 98.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.755 177.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -63.43 -34.21 77.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.666 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.89 92.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.366 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' 1338 ' ' ALA . 50.0 t -66.02 -51.63 58.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.887 175.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1343 ' ' THR . . . . . 0.465 ' HA ' ' OD1' ' A' 1250 ' ' ASN . 88.1 m -53.93 -49.64 68.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.379 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.71 -44.64 90.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.313 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 19.5 m -66.03 -36.54 83.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1346 ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.69 -48.49 87.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.116 0.484 . . . . 0.0 109.888 174.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -55.89 -48.9 74.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.04 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.32 -24.49 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.513 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' 1304 ' ' ASN . 0.7 OUTLIER -71.42 -40.4 70.46 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.161 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.645 HD13 ' HB2' ' A' 1246 ' ' ALA . 43.8 mm -69.12 -36.07 71.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.593 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 29.8 m -57.89 -34.79 70.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.283 0.563 . . . . 0.0 110.414 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.9 tpt -78.62 -27.81 45.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.454 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.801 ' HA ' ' HE1' ' A' 1288 ' ' MET . 26.0 t . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.142 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1208 ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' 1268 ' ' ALA . 4.6 t0 -61.86 -22.32 65.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.518 ' HA ' ' HB3' ' A' 1271 ' ' SER . 11.6 m -68.13 -32.2 54.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.113 0.482 . . . . 0.0 110.187 176.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -82.65 -36.48 25.98 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.274 0.559 . . . . 0.0 109.901 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 24.1 t30 -55.97 -42.57 76.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.959 173.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1212 ' ' ALA . . . . . 0.462 ' O ' HG21 ' A' 1216 ' ' VAL . . . -59.95 -46.28 89.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.128 176.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1213 ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' 1209 ' ' VAL . 83.3 mt -60.7 -36.57 79.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -65.05 -41.85 94.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.913 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.77 96.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.945 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.649 HG12 ' HG ' ' A' 1313 ' ' SER . 50.9 t -61.12 -35.11 63.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.176 0.512 . . . . 0.0 110.106 176.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -69.91 -39.75 74.88 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.141 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1218 ' ' ASP . . . . . 0.571 ' HA ' ' CE ' ' A' 1221 ' ' LYS . 44.2 m-20 -65.0 -45.19 86.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.672 0.272 . . . . 0.0 110.925 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1219 ' ' ALA . . . . . 0.562 ' HB1' HD22 ' A' 1282 ' ' LEU . . . -61.63 -43.28 99.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1220 ' ' SER . . . . . 0.47 ' HA ' HD22 ' A' 1224 ' ' LEU . 3.7 p -65.04 -39.88 93.98 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.148 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1221 ' ' LYS . . . . . 0.571 ' CE ' ' HA ' ' A' 1218 ' ' ASP . 52.9 mtmt -62.82 -49.81 73.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.777 0.323 . . . . 0.0 111.729 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 36.0 mtm-85 -78.84 -8.64 58.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.697 ' HB3' HG11 ' A' 1286 ' ' VAL . 70.3 mt -126.91 -53.92 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1224 ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' 1220 ' ' SER . 4.0 mm? . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 121.132 0.491 . . . . 0.0 111.543 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1236 ' ' GLN . . . . . 0.489 ' HA ' ' HB3' ' A' 1239 ' ' GLN . 36.1 tt0 . . . . . 0 CA--C 1.532 0.25 0 CA-C-O 120.813 0.34 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -59.15 -52.79 64.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.212 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -74.53 -34.35 62.99 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.208 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1239 ' ' GLN . . . . . 0.489 ' HB3' ' HA ' ' A' 1236 ' ' GLN . 60.1 tt0 -59.28 -53.72 55.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.968 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 19.3 m -66.92 -38.88 87.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -60.2 -44.86 94.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.256 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.425 HD22 ' SD ' ' A' 1288 ' ' MET . 30.7 tp -58.96 -48.59 80.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.66 175.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -60.65 -42.06 96.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.689 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.98 -39.6 95.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -73.16 -39.87 65.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -60.51 -50.36 73.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.956 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.66 -38.46 75.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.33 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.49 -33.74 63.86 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.081 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 30.0 tp -74.99 -31.4 61.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -57.43 -50.33 73.35 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.089 0.471 . . . . 0.0 110.978 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1251 ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' 1255 ' ' GLU . 0.0 OUTLIER -70.94 -32.5 69.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.169 -178.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -59.21 -46.51 88.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1253 ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' 1257 ' ' VAL . . . -64.81 -39.87 94.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.2 0.524 . . . . 0.0 110.025 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 98.7 m -59.02 -34.81 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.395 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' 1251 ' ' GLN . 34.4 mt-10 -67.46 -41.12 85.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.857 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 39.4 mt -60.66 -38.76 85.97 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.846 0.355 . . . . 0.0 110.201 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1257 ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' 1253 ' ' ALA . 65.6 t -61.31 -50.31 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.261 179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -74.07 -38.39 63.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.246 -174.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -68.59 -26.9 65.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.891 0.377 . . . . 0.0 111.191 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1260 ' ' SER . . . . . 0.401 ' HB3' ' HD2' ' A' 1261 ' ' ARG . 39.2 t -52.68 -34.55 52.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.473 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1261 ' ' ARG . . . . . 0.492 HH22 ' HB2' ' A' 1336 ' ' ALA . 5.5 mpt_? -108.08 16.92 22.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -147.21 -111.86 0.68 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.775 -1.202 . . . . 0.0 113.606 -176.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1263 ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 0.1 OUTLIER -80.49 123.08 83.06 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-O 121.373 0.606 . . . . 0.0 112.24 -171.357 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1264 ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' 1263 ' ' THR . 19.1 Cg_exo -68.08 -34.94 21.26 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.562 2.841 . . . . 0.0 112.383 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -68.55 -31.8 71.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.41 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -45.16 75.53 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.252 174.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 39.1 tp -52.47 -50.39 62.8 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.606 0.566 . . . . 0.0 110.558 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1268 ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' 1208 ' ' ASP . . . -63.97 -51.17 65.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.108 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -61.06 -34.29 74.66 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 111.095 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.8 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.577 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1271 ' ' SER . . . . . 0.518 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 20.8 m -67.49 -51.69 48.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.634 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -64.18 -37.86 95.13 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.753 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -66.27 -47.51 73.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.86 0.362 . . . . 0.0 110.419 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1274 ' ' PHE . . . . . 0.455 ' HZ ' HG13 ' A' 1342 ' ' VAL . 89.2 t80 -59.33 -48.33 82.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.765 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.67 -38.91 97.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.666 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.65 -46.93 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.777 -0.249 . . . . 0.0 111.081 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.76 -35.27 80.03 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.696 0.284 . . . . 0.0 110.642 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.528 ' CE2' HG11 ' A' 1216 ' ' VAL . 47.9 t80 -60.13 -43.76 95.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.535 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 50.8 m -57.93 -48.12 80.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.171 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 21.4 m -61.82 -41.26 97.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.886 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1281 ' ' PHE . . . . . 0.454 ' HE2' HG23 ' A' 1308 ' ' ILE . 84.7 t80 -61.68 -47.63 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.574 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.562 HD22 ' HB1' ' A' 1219 ' ' ALA . 23.7 tp -65.64 -36.56 84.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.382 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1283 ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' 1287 ' ' GLU . 43.3 mt-10 -63.58 -43.45 96.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.707 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1284 ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' 1287 ' ' GLU . . . -65.03 -30.89 71.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.997 0.427 . . . . 0.0 110.381 176.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.04 -45.79 95.88 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.281 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.697 HG11 ' HB3' ' A' 1223 ' ' LEU . 13.3 m -74.62 -24.3 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 122.518 -0.401 . . . . 0.0 110.509 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1287 ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' A' 1283 ' ' GLU . 6.9 mm-40 -56.98 -52.5 64.98 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 173.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.475 ' HA ' ' HG3' ' A' 1291 ' ' GLN . 17.6 ptm -75.54 -26.87 58.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.09 71.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.104 0.478 . . . . 0.0 110.13 176.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -80.26 -11.4 84.35 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.756 -0.656 . . . . 0.0 113.07 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.475 ' HG3' ' HA ' ' A' 1288 ' ' MET . 1.2 pp0? -104.38 6.36 35.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.38 0.59 . . . . 0.0 111.044 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1292 ' ' ALA . . . . . 0.42 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -75.83 116.59 56.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.117 178.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1293 ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 34.9 Cg_exo -60.3 -41.61 48.96 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.927 2.418 . . . . 0.0 112.285 -177.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 59.1 m -107.59 138.8 43.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.412 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1295 ' ' GLN . . . . . 0.531 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 23.0 mt-30 -68.57 -17.35 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.941 -177.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.28 -46.33 87.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 173.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.81 -35.28 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.179 0.514 . . . . 0.0 109.831 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.531 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 38.4 ttt180 -63.98 -45.81 87.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.146 178.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -73.83 -29.2 62.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.773 0.321 . . . . 0.0 110.568 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.73 -50.81 69.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.787 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.654 ' O ' ' HG ' ' A' 1305 ' ' LEU . 7.6 p -60.6 -40.11 83.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.484 ' HA ' HD12 ' A' 1305 ' ' LEU . 93.8 t -61.56 -37.85 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.876 0.37 . . . . 0.0 110.951 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 20.2 m -64.97 -39.94 94.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.044 0.449 . . . . 0.0 110.369 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1304 ' ' ASN . . . . . 0.421 ' CB ' HD21 ' A' 1349 ' ' LEU . 35.3 m-20 -66.63 -37.67 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.8 176.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.3 mt -63.11 -33.95 76.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.835 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1306 ' ' LYS . . . . . 0.552 ' HB2' ' HZ3' ' A' 1306 ' ' LYS . 4.5 ttmp? -57.75 -42.66 84.4 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 173.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.93 -45.94 78.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.425 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1308 ' ' ILE . . . . . 0.454 HG23 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -82.37 -39.06 15.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.314 -178.553 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1309 ' ' SER . . . . . 0.515 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 57.3 p -67.45 -45.1 77.0 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 122.246 -0.284 . . . . 0.0 111.31 -177.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.627 ' HG2' ' HE2' ' A' 1314 ' ' LYS . 54.3 ttm -65.74 -39.99 91.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.945 0.402 . . . . 0.0 110.194 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 37.4 m -70.55 -29.79 66.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.37 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 42.0 t -61.45 -45.16 95.47 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.649 ' HG ' HG12 ' A' 1216 ' ' VAL . 39.4 m -60.32 -49.73 76.45 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 114.618 -1.173 . . . . 0.0 110.533 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.627 ' HE2' ' HG2' ' A' 1310 ' ' MET . 66.5 mttm -57.19 -44.09 83.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.426 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1315 ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' 1339 ' ' ALA . 37.2 tp -61.4 -47.02 87.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 111.026 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.446 HD23 ' HD2' ' A' 1274 ' ' PHE . 86.4 mt -67.32 -30.13 69.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.813 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' 1313 ' ' SER . 85.8 mt -65.29 -35.1 79.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.41 . . . . 0.0 110.399 175.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.25 83.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.129 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.79 83.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 0.0 110.358 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1320 ' ' LYS . . . . . 0.462 ' HA ' HG21 ' A' 1209 ' ' VAL . 13.3 tppt? -54.51 -49.67 69.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.613 173.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.67 64.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.243 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1322 ' ' LEU . . . . . . . . . . . . . 33.8 tp -75.86 -29.76 58.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.694 0.283 . . . . 0.0 111.587 -176.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 6.3 p -74.74 -17.03 60.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.015 0.436 . . . . 0.0 110.572 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 2.3 p -101.46 -31.66 10.79 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.785 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -131.09 90.83 37.87 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.0 175.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -91.71 15.03 1.73 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.494 2.13 . . . . 0.0 112.292 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -98.63 -38.6 9.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.737 -175.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 41.6 t -68.07 116.27 37.21 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.61 -175.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.11 -27.18 29.89 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.864 2.376 . . . . 0.0 111.05 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.27 -31.51 71.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.908 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.06 -37.93 72.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.032 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1332 ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -59.09 -44.58 91.93 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.098 0.475 . . . . 0.0 109.792 172.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 35.4 t -60.55 -44.67 95.87 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.785 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -62.95 -44.64 95.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.797 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.06 -45.34 91.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.43 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1336 ' ' ALA . . . . . 0.492 ' HB2' HH22 ' A' 1261 ' ' ARG . . . -62.34 -38.7 90.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.294 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.04 -40.99 87.28 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.998 0.428 . . . . 0.0 110.715 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.48 ' O ' HG22 ' A' 1342 ' ' VAL . . . -68.65 -42.6 77.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.662 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1339 ' ' ALA . . . . . 0.589 ' HA ' HD23 ' A' 1315 ' ' LEU . . . -61.81 -41.12 97.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.094 0.474 . . . . 0.0 110.643 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -61.18 -41.88 97.59 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.109 175.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.7 97.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.823 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' 1346 ' ' ILE . 59.4 t -64.26 -52.73 52.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.724 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 18.1 m -61.66 -37.96 85.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.2 0.524 . . . . 0.0 110.641 -177.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1344 ' ' ASP . . . . . 0.563 ' O ' ' HG2' ' A' 1348 ' ' GLN . 33.2 t70 -64.11 -50.54 67.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.758 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 9.0 p -66.58 -33.93 76.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.597 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' 1342 ' ' VAL . 95.9 mt -55.2 -53.72 31.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 172.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -64.8 -33.48 76.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.334 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1348 ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' 1344 ' ' ASP . 14.9 mm100 -59.56 -48.83 80.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.884 0.374 . . . . 0.0 110.658 177.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.643 HD22 HG23 ' A' 1301 ' ' VAL . 2.5 tm? -67.16 -38.67 85.87 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.458 -176.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' 1346 ' ' ILE . 44.5 mm -67.39 -43.63 87.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.556 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 85.8 m -60.76 -47.21 87.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.358 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 22.9 ptp -71.51 -27.76 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.681 0.277 . . . . 0.0 110.855 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 39.3 t . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.903 178.366 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1207 ' ' ARG . . . . . 0.478 ' HD3' ' HB3' ' A' 1210 ' ' ASP . 6.6 tpp180 . . . . . 0 C--O 1.222 -0.359 0 N-CA-C 111.471 0.174 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.04 -43.64 66.79 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.556 HG23 ' HA ' ' A' 1320 ' ' LYS . 31.5 m -64.14 -36.17 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.852 0.358 . . . . 0.0 111.37 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1210 ' ' ASP . . . . . 0.478 ' HB3' ' HD3' ' A' 1207 ' ' ARG . 25.2 t70 -83.55 -27.49 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.078 0.466 . . . . 0.0 110.692 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 59.1 t30 -63.59 -35.06 79.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.984 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1212 ' ' ALA . . . . . 0.435 ' O ' HG21 ' A' 1216 ' ' VAL . . . -60.71 -40.9 94.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.888 173.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1213 ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' 1316 ' ' LEU . 41.9 mt -67.52 -31.14 71.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.993 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -59.62 -41.06 89.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.17 -50.51 39.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.614 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.532 HG12 ' CE2' ' A' 1278 ' ' PHE . 87.2 t -58.84 -52.64 57.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.315 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1217 ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -62.52 -47.4 89.6 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.559 -177.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.64 -43.88 98.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.631 0.253 . . . . 0.0 110.689 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.81 89.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.967 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 48.5 m -62.1 -37.2 84.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.81 0.338 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1221 ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' 1217 ' ' GLY . 67.2 mttm -74.15 -56.98 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.991 0.424 . . . . 0.0 110.318 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -56.41 -56.31 22.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.035 -175.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.655 ' HB3' HG22 ' A' 1286 ' ' VAL . 92.3 mt -68.13 -37.83 81.54 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -173.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.349 . . . . 0.0 111.457 -176.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1236 ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' A' 1239 ' ' GLN . 29.4 tt0 . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.482 0.182 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -54.24 -48.1 71.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 110.623 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -78.33 -34.94 48.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.319 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1239 ' ' GLN . . . . . 0.478 ' HB3' ' HA ' ' A' 1236 ' ' GLN . 53.0 tt0 -57.32 -45.13 84.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.734 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 17.6 m -63.37 -37.46 87.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1241 ' ' ARG . . . . . 0.414 ' HG2' ' HB2' ' A' 1284 ' ' ALA . 52.8 ttt180 -67.76 -39.07 84.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.346 -178.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.757 HD23 ' HB1' ' A' 1284 ' ' ALA . 2.4 mm? -57.39 -41.15 79.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.856 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -66.75 -39.24 87.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.567 -174.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.65 -52.21 40.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.185 0.517 . . . . 0.0 110.287 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.1 -33.32 75.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.226 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.01 -53.67 55.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.225 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.4 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.74 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -64.86 -47.01 87.69 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.4 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1249 ' ' LEU . . . . . 0.41 HD23 HD13 ' A' 1346 ' ' ILE . 22.2 tp -66.24 -36.71 83.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.602 0.239 . . . . 0.0 110.768 -177.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -62.01 -39.89 93.8 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.838 0.351 . . . . 0.0 110.702 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1251 ' ' GLN . . . . . 0.492 ' O ' ' HB ' ' A' 1254 ' ' THR . 25.7 tm0? -72.44 -39.62 67.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.963 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.08 96.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.013 0.435 . . . . 0.0 110.796 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1253 ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' 1257 ' ' VAL . . . -62.44 -40.2 95.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.19 0.519 . . . . 0.0 109.916 174.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1254 ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' 1251 ' ' GLN . 80.5 m -57.54 -40.15 78.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.973 176.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' 1251 ' ' GLN . 59.8 mt-10 -61.67 -45.14 95.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.583 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 68.9 mt -59.78 -42.09 92.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.717 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1257 ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' 1253 ' ' ALA . 95.7 t -59.28 -48.97 85.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.844 0.354 . . . . 0.0 111.254 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -69.23 -43.52 73.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.926 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.1 69.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1260 ' ' SER . . . . . 0.472 ' HG ' HD21 ' A' 1322 ' ' LEU . 38.6 t -55.09 -37.35 66.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.764 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1261 ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' 1261 ' ' ARG . 23.0 mtp180 -112.27 21.0 16.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.2 -177.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -126.7 -60.18 0.14 Allowed Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.326 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1263 ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 1.8 t -167.78 133.43 1.63 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 121.101 0.477 . . . . 0.0 111.372 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1264 ' ' PRO . . . . . 0.78 ' HA ' HD13 ' A' 1267 ' ' LEU . 39.5 Cg_exo -61.06 -23.09 76.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.379 2.719 . . . . 0.0 112.436 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -76.44 -27.92 56.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 10.7 t70 -75.25 -35.15 61.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.78 HD13 ' HA ' ' A' 1264 ' ' PRO . 75.6 mt -53.17 -44.75 68.12 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.852 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.9 79.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.076 0.465 . . . . 0.0 111.082 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.31 -45.54 94.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.008 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.65 -28.72 70.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.67 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 35.5 m -63.6 -43.62 96.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.708 0.29 . . . . 0.0 110.932 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -74.77 -27.41 64.97 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.617 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -69.52 -53.62 18.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 175.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 65.7 t80 -61.02 -47.52 86.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.936 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -61.03 -37.75 94.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.594 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.67 -50.02 47.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.619 0.247 . . . . 0.0 110.823 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -62.18 -37.71 86.29 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.413 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.689 ' HE1' ' HA ' ' A' 1309 ' ' SER . 83.6 t80 -61.08 -44.46 97.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.484 176.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1279 ' ' SER . . . . . 0.408 ' O ' ' HG3' ' A' 1283 ' ' GLU . 58.8 m -56.13 -51.14 69.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.088 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 32.7 m -61.96 -39.52 92.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.185 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 58.0 t80 -64.11 -46.04 85.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.502 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.403 ' O ' HG21 ' A' 1286 ' ' VAL . 20.7 tp -66.27 -38.01 86.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.345 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1283 ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' 1279 ' ' SER . 48.5 mt-10 -55.6 -50.42 70.16 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.192 173.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1284 ' ' ALA . . . . . 0.757 ' HB1' HD23 ' A' 1242 ' ' LEU . . . -61.82 -37.21 83.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.15 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -60.05 -48.0 88.26 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.09 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.655 HG22 ' HB3' ' A' 1223 ' ' LEU . 33.3 t -68.72 -33.93 62.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.145 0.497 . . . . 0.0 110.02 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -59.23 -47.15 86.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.763 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.543 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 20.6 ptm -75.09 -25.25 58.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -69.48 -32.56 71.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 110.774 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -73.05 -28.56 66.31 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.495 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.543 ' HG2' ' HA ' ' A' 1288 ' ' MET . 12.3 pt20 -93.37 10.08 33.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.811 0.338 . . . . 0.0 110.724 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1292 ' ' ALA . . . . . 0.456 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -62.48 126.39 88.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.568 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1293 ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 31.4 Cg_exo -59.62 -35.96 93.77 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.033 2.489 . . . . 0.0 112.419 -177.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 96.6 p -136.26 165.46 25.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.242 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -70.14 -20.29 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.28 -45.3 93.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.059 175.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -71.23 -40.43 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.536 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' 1302 ' ' VAL . 75.6 ttt180 -63.43 -46.53 85.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.361 -176.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.53 75.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.012 0.434 . . . . 0.0 110.819 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -69.25 -48.9 60.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.919 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.651 ' O ' ' HG ' ' A' 1305 ' ' LEU . 10.4 p -62.89 -39.14 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.139 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' 1298 ' ' ARG . 71.8 t -61.78 -43.98 98.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.674 0.273 . . . . 0.0 111.233 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 3.2 p -66.95 -32.88 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.146 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -66.34 -42.76 87.67 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.298 0.571 . . . . 0.0 109.777 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.5 mt -60.63 -32.78 71.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.338 -177.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.68 -37.1 82.87 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.627 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.56 -51.32 57.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.319 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1308 ' ' ILE . . . . . 0.428 HG13 ' CG1' ' A' 1346 ' ' ILE . 0.0 OUTLIER -74.45 -39.9 48.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 121.253 -0.179 . . . . 0.0 111.123 -178.477 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1309 ' ' SER . . . . . 0.689 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 23.9 p -65.43 -44.54 87.03 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.545 0.212 . . . . 0.0 111.313 -177.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.621 ' O ' ' HG3' ' A' 1314 ' ' LYS . 20.1 mmt -63.31 -46.77 85.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.708 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 66.3 m -62.72 -34.94 78.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.483 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 61.3 m -65.7 -37.72 87.24 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.681 0.753 . . . . 0.0 109.533 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.43 ' O ' ' HG ' ' A' 1317 ' ' LEU . 47.4 m -64.75 -48.22 75.36 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.149 176.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.621 ' HG3' ' O ' ' A' 1310 ' ' MET . 82.6 mttt -60.44 -38.58 84.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.574 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1315 ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' 1339 ' ' ALA . 34.0 tp -61.07 -52.78 63.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.1 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.6 ' HB2' HD21 ' A' 1213 ' ' LEU . 95.9 mt -65.6 -30.15 70.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.499 HD11 ' HA ' ' A' 1314 ' ' LYS . 72.3 mt -59.53 -45.97 90.23 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 174.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.24 92.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.646 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.61 95.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 178.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1320 ' ' LYS . . . . . 0.556 ' HA ' HG23 ' A' 1209 ' ' VAL . 33.6 ttpt -64.21 -43.7 94.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.717 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.98 72.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.492 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.555 HD22 HD12 ' A' 1267 ' ' LEU . 28.1 tp -73.0 -26.31 61.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.736 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 29.5 t -63.73 -41.84 97.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.106 0.479 . . . . 0.0 109.839 175.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 3.1 m -79.79 -40.61 28.27 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.191 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1325 ' ' ASP . . . . . 0.44 ' O ' HD11 ' A' 1322 ' ' LEU . 2.7 m-20 -120.12 86.23 37.06 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -90.04 3.22 5.1 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.623 2.216 . . . . 0.0 112.949 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1327 ' ' ALA . . . . . 0.474 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -107.4 13.46 26.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.689 0.28 . . . . 0.0 111.24 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 34.2 t -99.79 103.49 22.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.382 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1329 ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' 1327 ' ' ALA . 26.1 Cg_exo -62.8 -34.08 73.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.772 2.315 . . . . 0.0 111.628 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.13 -36.93 85.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 178.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 19.5 tp -68.79 -32.7 72.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.544 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.544 ' CE ' HD13 ' A' 1322 ' ' LEU . 2.1 mptm? -61.44 -39.79 92.11 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.381 0.61 . . . . 0.0 110.035 173.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 23.2 t -70.65 -42.79 70.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.696 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.6 -40.66 97.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.762 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.42 -53.15 61.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.118 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.93 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 111.033 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -64.35 -49.87 69.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.056 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' 1342 ' ' VAL . . . -62.91 -38.01 89.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.644 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1339 ' ' ALA . . . . . 0.643 ' HA ' HD23 ' A' 1315 ' ' LEU . . . -59.67 -46.24 89.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.026 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -68.66 -28.76 67.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.935 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.51 -40.02 94.86 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 174.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' 1338 ' ' ALA . 62.6 t -61.57 -49.8 82.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.695 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.4 m -53.7 -47.45 70.49 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.507 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.42 -53.53 57.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.42 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.8 m -61.03 -38.19 85.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.323 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.54 ' O ' HG12 ' A' 1350 ' ' ILE . 63.9 mt -59.22 -52.16 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.266 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -57.33 -47.5 81.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.392 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -60.07 -43.95 95.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.661 0.267 . . . . 0.0 110.91 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -60.25 -44.5 95.22 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.24 0.543 . . . . 0.0 109.698 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.597 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 35.0 mm -70.86 -35.24 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.271 -177.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 91.8 m -72.26 -26.03 61.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.933 0.397 . . . . 0.0 111.434 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 71.5 mtm -80.02 -36.23 36.15 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.145 -0.347 . . . . 0.0 111.267 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' A' 1350 ' ' ILE . 24.5 p . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 120.941 0.4 . . . . 0.0 110.731 178.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 . . . . . 0 C--O 1.223 -0.309 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1208 ' ' ASP . . . . . 0.469 ' HB2' ' HB2' ' A' 1268 ' ' ALA . 14.9 m-20 -60.01 -35.79 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.637 ' HA ' ' OG ' ' A' 1271 ' ' SER . 29.7 m -80.4 -39.23 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.208 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1210 ' ' ASP . . . . . 0.555 ' HA ' ' HD3' ' A' 1320 ' ' LYS . 36.7 t70 -77.35 -30.97 54.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.853 0.358 . . . . 0.0 111.648 -176.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.39 -29.57 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 0.0 110.555 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1212 ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' 1216 ' ' VAL . . . -66.42 -44.53 82.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.427 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1213 ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' 1316 ' ' LEU . 7.1 mp -63.56 -35.32 80.11 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.155 177.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -56.56 -43.75 80.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.782 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.74 -44.98 65.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.003 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.668 HG12 ' CE2' ' A' 1278 ' ' PHE . 84.9 t -58.98 -47.65 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.984 0.421 . . . . 0.0 110.834 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.94 -41.27 97.45 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.48 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.75 -44.12 82.32 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.649 -0.324 . . . . 0.0 110.148 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.15 71.42 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.016 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 38.4 m -58.12 -54.16 50.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.968 0.413 . . . . 0.0 110.699 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1221 ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' 1221 ' ' LYS . 3.9 mptp? -76.0 -26.49 56.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 111.035 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -72.45 -25.21 61.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.261 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.496 HD22 ' HG2' ' A' 1283 ' ' GLU . 62.7 mt -111.27 -54.5 2.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.248 -172.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1224 ' ' LEU . . . . . 0.465 HD21 HG13 ' A' 1302 ' ' VAL . 83.0 mt . . . . . 0 N--CA 1.464 0.242 0 O-C-N 123.188 0.305 . . . . 0.0 111.76 -172.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.14 0.495 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.07 -47.51 82.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.123 175.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1238 ' ' ALA . . . . . 0.759 ' HA ' ' HG2' ' A' 1241 ' ' ARG . . . -79.31 -27.56 42.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.047 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -55.66 -53.79 52.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 14.6 m -64.99 -38.37 90.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.877 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1241 ' ' ARG . . . . . 0.759 ' HG2' ' HA ' ' A' 1238 ' ' ALA . 14.0 ptm180 -75.24 -28.43 59.86 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.981 -173.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' 1284 ' ' ALA . 1.0 OUTLIER -60.38 -45.9 91.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.375 174.661 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -66.05 -39.51 90.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.264 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.78 -49.0 64.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.094 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.42 80.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -57.68 -53.33 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.39 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.21 -37.07 71.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.344 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -68.96 -44.69 66.5 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.219 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 32.2 tp -68.3 -31.16 70.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.642 0.258 . . . . 0.0 111.03 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 11.1 m120 -54.99 -50.45 68.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.136 0.493 . . . . 0.0 110.571 175.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 17.2 tm0? -72.49 -33.82 67.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.037 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.11 84.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -67.29 -32.77 73.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.096 0.474 . . . . 0.0 110.301 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 29.9 m -63.3 -36.22 82.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.699 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1255 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.48 -43.32 99.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.203 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.39 -38.26 86.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.548 0.213 . . . . 0.0 110.912 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 48.9 t -60.71 -52.6 59.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-O 120.981 0.42 . . . . 0.0 110.663 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -64.54 -42.07 95.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.627 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.55 88.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.385 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1260 ' ' SER . . . . . 0.503 ' OG ' ' HG ' ' A' 1335 ' ' LEU . 63.5 m -59.85 -31.07 69.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.79 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -97.03 4.39 51.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -177.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -117.6 -71.4 0.42 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.708 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 2.7 t -156.47 136.14 8.34 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.749 0.309 . . . . 0.0 111.251 -177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1264 ' ' PRO . . . . . 0.699 ' HA ' HD13 ' A' 1267 ' ' LEU . 50.5 Cg_exo -54.7 -30.76 68.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.483 2.788 . . . . 0.0 112.901 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -70.36 -20.67 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.328 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -79.88 -32.05 40.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.329 . . . . 0.0 110.123 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.699 HD13 ' HA ' ' A' 1264 ' ' PRO . 6.6 mp -59.84 -34.2 72.78 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.121 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1268 ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' A' 1208 ' ' ASP . . . -57.57 -55.14 38.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.217 179.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -69.23 -35.43 76.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.358 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.09 85.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.624 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1271 ' ' SER . . . . . 0.637 ' OG ' ' HA ' ' A' 1209 ' ' VAL . 7.5 t -63.17 -41.57 99.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.789 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.69 92.27 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.986 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -74.37 -50.01 20.4 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 73.5 t80 -56.53 -48.26 77.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.496 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.32 95.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.775 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.29 -51.88 27.1 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.526 0.203 . . . . 0.0 111.085 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -63.27 -36.05 82.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.517 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.668 ' CE2' HG12 ' A' 1216 ' ' VAL . 74.2 t80 -60.96 -45.03 96.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.537 175.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1279 ' ' SER . . . . . 0.58 ' O ' ' HG3' ' A' 1283 ' ' GLU . 51.9 m -54.5 -54.43 41.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.047 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 14.3 m -60.86 -40.34 92.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.154 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 82.7 t80 -63.71 -48.31 77.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.64 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.452 ' O ' HG22 ' A' 1286 ' ' VAL . 43.6 tp -64.44 -45.92 85.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.712 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1283 ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' A' 1279 ' ' SER . 58.8 mt-10 -60.53 -35.78 76.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.9 0.381 . . . . 0.0 110.452 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1284 ' ' ALA . . . . . 0.425 ' HB3' HD23 ' A' 1242 ' ' LEU . . . -71.37 -43.31 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.78 177.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -60.39 -47.12 92.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.175 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' 1282 ' ' LEU . 45.5 t -67.22 -30.0 47.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 0.0 110.107 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1287 ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' 1291 ' ' GLN . 9.3 tp10 -59.52 -53.48 57.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.182 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.566 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 19.9 ptm -72.74 -26.63 61.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.98 90.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 171.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -83.93 31.68 3.34 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.604 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.566 ' HG2' ' HA ' ' A' 1288 ' ' MET . 77.5 mm-40 -116.39 -12.38 11.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.494 0.664 . . . . 0.0 109.234 171.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -67.71 128.7 93.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.315 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -62.27 -34.05 79.07 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.58 2.186 . . . . 0.0 112.117 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 19.1 m -91.16 126.79 36.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.063 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1295 ' ' GLN . . . . . 0.449 ' O ' ' HB3' ' A' 1298 ' ' ARG . 4.4 pt20 -66.9 -27.03 67.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.486 0.184 . . . . 0.0 111.254 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.85 -34.54 57.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.991 0.424 . . . . 0.0 109.957 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.35 -34.85 76.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' 1295 ' ' GLN . 12.8 ttp85 -55.8 -43.75 77.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.946 170.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -66.35 -28.69 68.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.232 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.59 -48.88 79.47 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.595 ' O ' ' HG ' ' A' 1305 ' ' LEU . 16.8 t -59.95 -44.22 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.769 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.465 HG13 HD21 ' A' 1224 ' ' LEU . 90.7 t -57.62 -39.44 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.141 178.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1303 ' ' SER . . . . . 0.486 ' O ' ' HG2' ' A' 1306 ' ' LYS . 26.6 t -61.01 -36.52 79.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.038 0.447 . . . . 0.0 110.333 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -76.17 -39.97 53.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.241 0.543 . . . . 0.0 109.819 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' 1301 ' ' VAL . 95.6 mt -62.0 -36.63 82.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.538 -178.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1306 ' ' LYS . . . . . 0.567 ' HA ' ' OG ' ' A' 1309 ' ' SER . 16.1 ptpt -64.75 -28.83 69.85 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.888 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -58.97 -45.67 94.82 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.823 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -40.73 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 122.675 -0.309 . . . . 0.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1309 ' ' SER . . . . . 0.625 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 24.3 p -65.13 -47.5 76.89 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.763 0.316 . . . . 0.0 111.619 -176.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.559 ' O ' ' HG3' ' A' 1314 ' ' LYS . 90.7 mtp -67.6 -37.2 82.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.647 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1311 ' ' SER . . . . . 0.803 ' HA ' ' HD2' ' A' 1314 ' ' LYS . 69.2 m -65.22 -33.37 75.84 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.728 177.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 49.6 m -67.22 -38.67 85.66 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.371 0.605 . . . . 0.0 109.47 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.538 ' O ' ' HG ' ' A' 1317 ' ' LEU . 41.5 m -62.04 -48.11 81.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.046 174.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.803 ' HD2' ' HA ' ' A' 1311 ' ' SER . 56.3 mttm -56.51 -43.41 79.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.564 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.17 -51.3 69.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.064 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.611 ' HB3' HD11 ' A' 1213 ' ' LEU . 89.4 mt -65.45 -30.17 70.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.434 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' 1313 ' ' SER . 78.6 mt -57.26 -47.38 81.56 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 110.387 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.6 -36.38 76.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.581 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.06 86.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.31 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1320 ' ' LYS . . . . . 0.555 ' HD3' ' HA ' ' A' 1210 ' ' ASP . 32.5 mtmt -59.14 -52.05 67.39 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 178.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.05 88.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.801 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.502 HD12 ' CE ' ' A' 1332 ' ' LYS . 20.4 tp -66.12 -29.37 69.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.834 0.349 . . . . 0.0 111.499 -175.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1323 ' ' SER . . . . . 0.444 ' HA ' ' HB3' ' A' 1264 ' ' PRO . 43.5 m -72.03 -14.13 61.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.842 0.353 . . . . 0.0 111.313 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 11.9 t -125.67 10.6 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.118 0.485 . . . . 0.0 110.433 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1325 ' ' ASP . . . . . 0.404 ' N ' ' HD3' ' A' 1326 ' ' PRO . 28.7 t70 -156.83 56.36 1.17 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.307 -177.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1326 ' ' PRO . . . . . 0.433 ' HA ' HD13 ' A' 1322 ' ' LEU . 95.6 Cg_endo -85.0 17.39 1.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.462 2.108 . . . . 0.0 113.36 -172.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1327 ' ' ALA . . . . . 0.473 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -100.09 -7.58 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.787 0.327 . . . . 0.0 110.955 177.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 18.2 m -90.97 108.36 27.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.47 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1329 ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' 1327 ' ' ALA . 28.2 Cg_exo -62.61 -34.51 74.36 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.981 2.454 . . . . 0.0 112.001 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 8.6 p30 -61.33 -30.43 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.673 177.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 12.1 tp -77.18 -34.76 56.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.064 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.502 ' CE ' HD12 ' A' 1322 ' ' LEU . 1.4 mptm? -64.51 -38.62 91.66 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.275 0.56 . . . . 0.0 109.817 172.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 39.8 m -66.81 -48.46 68.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.055 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.27 -37.14 84.33 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.956 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1335 ' ' LEU . . . . . 0.503 ' HG ' ' OG ' ' A' 1260 ' ' SER . 1.6 tm? -56.7 -53.0 62.73 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.78 84.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.28 81.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.476 ' O ' HG21 ' A' 1342 ' ' VAL . . . -68.14 -38.05 81.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.726 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.54 96.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.632 177.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1340 ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' 1340 ' ' ARG . 27.1 mmt180 -65.66 -37.53 86.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.311 176.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.83 88.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.455 176.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' 1346 ' ' ILE . 82.7 t -60.81 -52.61 59.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.732 178.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.3 m -61.03 -45.58 94.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.357 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -38.06 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.436 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 43.2 m -66.36 -37.67 85.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.704 0.288 . . . . 0.0 110.63 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' 1342 ' ' VAL . 94.0 mt -58.07 -52.99 51.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.086 175.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.44 -43.03 88.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.144 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -61.98 -42.96 99.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.5 -46.16 73.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.767 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' 1346 ' ' ILE . 29.4 mm -63.77 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 88.2 m -56.59 -55.71 30.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.297 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 24.2 ttt -58.91 -45.15 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.184 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.538 ' HB3' ' HE1' ' A' 1288 ' ' MET . 78.4 m . . . . . 0 C--N 1.323 -0.569 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -173.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.48 -29.37 70.42 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.499 ' CG2' ' HG2' ' A' 1320 ' ' LYS . 10.5 m -74.5 -25.84 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.106 0.479 . . . . 0.0 109.995 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.38 -44.84 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.143 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.72 -30.33 70.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.821 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.6 97.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.358 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1213 ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' 1209 ' ' VAL . 39.7 mt -65.63 -40.09 92.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1214 ' ' ARG . . . . . 0.441 ' C ' ' HD3' ' A' 1214 ' ' ARG . 2.7 tmt_? -59.19 -41.23 88.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.23 -54.12 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.972 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.448 HG11 ' CE2' ' A' 1278 ' ' PHE . 48.9 t -62.06 -45.45 98.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.003 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1217 ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -61.28 -48.12 87.23 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.743 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.82 -41.94 74.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.845 0.323 . . . . 0.0 110.987 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1219 ' ' ALA . . . . . 0.41 ' HB2' HD22 ' A' 1282 ' ' LEU . . . -62.61 -44.29 96.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.696 0.284 . . . . 0.0 111.147 -178.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1220 ' ' SER . . . . . 0.472 ' HA ' HD22 ' A' 1224 ' ' LEU . 13.3 p -62.05 -36.37 81.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 111.028 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1221 ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' 1217 ' ' GLY . 49.0 mtmt -74.12 -50.52 19.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 178.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -68.29 -32.67 72.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.317 -172.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.576 ' HB3' HG11 ' A' 1286 ' ' VAL . 91.2 mt -95.89 -48.39 5.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -172.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1224 ' ' LEU . . . . . 0.676 HD23 HD12 ' A' 1282 ' ' LEU . 3.7 mm? . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 111.787 -177.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -62.28 -32.14 72.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.591 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -68.25 -34.57 76.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.057 0.456 . . . . 0.0 110.115 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -73.82 -45.26 52.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.398 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.6 m -62.38 -36.88 83.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.302 0.572 . . . . 0.0 110.128 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -61.48 -43.28 99.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.875 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.401 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 42.1 tp -65.1 -38.21 89.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.108 177.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 15.4 m120 -59.05 -44.21 91.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.307 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.1 -38.69 75.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.3 0.571 . . . . 0.0 109.976 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1245 ' ' ALA . . . . . 0.64 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -61.61 -42.02 98.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.836 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1246 ' ' ALA . . . . . 0.486 ' HB3' HD11 ' A' 1350 ' ' ILE . . . -58.03 -51.77 68.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.379 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.35 71.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.215 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.11 -50.52 22.29 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.001 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1249 ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' 1252 ' ' ALA . 33.0 tp -66.06 -31.37 72.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.561 0.22 . . . . 0.0 110.946 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -57.5 -41.32 80.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.92 0.391 . . . . 0.0 110.183 174.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -72.49 -38.64 68.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1252 ' ' ALA . . . . . 0.813 ' HB3' ' HA ' ' A' 1274 ' ' PHE . . . -55.74 -46.43 77.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.952 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1253 ' ' ALA . . . . . 0.444 ' O ' HG21 ' A' 1257 ' ' VAL . . . -66.38 -38.57 87.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 110.284 175.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 39.2 m -58.25 -40.89 82.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.484 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1255 ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.58 -29.19 69.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.179 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1256 ' ' LEU . . . . . 0.508 ' HB3' HD22 ' A' 1335 ' ' LEU . 22.4 mt -73.34 -30.9 63.64 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.397 174.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1257 ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' 1253 ' ' ALA . 66.5 t -60.9 -53.84 43.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.57 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.68 -38.58 91.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.043 0.449 . . . . 0.0 111.023 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.83 83.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.294 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1260 ' ' SER . . . . . 0.423 ' HB3' HD23 ' A' 1335 ' ' LEU . 96.1 p -57.93 -32.41 67.75 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -111.97 21.88 15.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.972 0.415 . . . . 0.0 111.015 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.29 -87.79 0.96 Allowed Glycine 0 N--CA 1.436 -1.321 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 68.4 p -145.46 151.13 46.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.475 0.178 . . . . 0.0 111.225 -176.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1264 ' ' PRO . . . . . 0.674 ' HA ' HD12 ' A' 1267 ' ' LEU . 50.0 Cg_exo -58.91 -27.28 84.07 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.77 2.313 . . . . 0.0 111.571 173.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1265 ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' 1269 ' ' ARG . 76.2 mt-30 -68.1 -42.35 80.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.507 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.33 -37.39 80.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' 1264 ' ' PRO . 45.1 mt -55.02 -47.99 74.0 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.86 174.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -59.47 -53.93 52.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1269 ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' 1265 ' ' GLN . 19.3 mtm180 -57.49 -38.56 74.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.382 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -68.07 -41.31 82.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.074 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1271 ' ' SER . . . . . 0.456 ' OG ' HG11 ' A' 1209 ' ' VAL . 34.6 m -62.56 -45.2 94.04 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.875 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.65 97.28 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.887 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -68.47 -42.65 78.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.514 0.197 . . . . 0.0 110.923 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1274 ' ' PHE . . . . . 0.813 ' HA ' ' HB3' ' A' 1252 ' ' ALA . 68.7 t80 -57.92 -52.79 64.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.813 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -64.69 -35.76 92.32 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.213 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -69.6 -52.74 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.657 0.265 . . . . 0.0 111.131 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.85 -36.69 85.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.448 ' CE2' HG11 ' A' 1216 ' ' VAL . 88.3 t80 -59.12 -38.08 78.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.773 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 49.3 m -56.32 -50.83 70.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 10.2 m -61.76 -42.18 98.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.789 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1281 ' ' PHE . . . . . 0.64 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 79.8 t80 -60.11 -51.39 69.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.087 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.676 HD12 HD23 ' A' 1224 ' ' LEU . 23.1 tp -67.09 -39.56 86.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -175.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.42 -37.4 83.37 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.777 0.323 . . . . 0.0 110.904 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -69.94 -41.1 75.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.834 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.14 -47.28 90.92 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.691 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.576 HG11 ' HB3' ' A' 1223 ' ' LEU . 27.8 m -72.62 -24.53 21.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 122.578 -0.366 . . . . 0.0 111.363 -179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -63.24 -48.22 79.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.519 ' HE2' ' HB3' ' A' 1353 ' ' CYS . 23.8 ptm -75.02 -25.49 58.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.719 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -61.85 -33.79 74.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.069 0.461 . . . . 0.0 110.537 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -71.7 -40.54 58.46 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.604 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' 1288 ' ' MET . 1.4 pp0? -77.91 -8.26 57.85 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 122.791 -0.24 . . . . 0.0 111.414 -176.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -52.95 128.75 47.35 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.181 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.95 -62.82 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.182 2.588 . . . . 0.0 113.096 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 77.8 p -95.22 165.81 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.017 0.436 . . . . 0.0 110.674 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.22 -23.23 61.97 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -73.43 -42.52 61.91 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.682 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -59.44 -42.72 92.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.967 0.413 . . . . 0.0 110.179 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.453 ' O ' HG22 ' A' 1302 ' ' VAL . 42.4 ttm180 -63.73 -44.01 94.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.602 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.36 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.088 0.47 . . . . 0.0 111.024 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -61.91 -40.62 96.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.337 -177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.537 ' O ' ' HG ' ' A' 1305 ' ' LEU . 7.1 p -79.71 -39.1 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.47 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.518 ' HA ' HD12 ' A' 1305 ' ' LEU . 62.3 t -61.52 -35.71 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -176.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 67.3 p -58.09 -46.14 86.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 111.086 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1304 ' ' ASN . . . . . 0.767 ' HB2' HD22 ' A' 1349 ' ' LEU . 14.6 m-80 -71.88 -31.35 66.34 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.119 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.4 mt -60.5 -40.93 93.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.445 178.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -64.68 -47.02 79.94 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.29 -50.82 54.69 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.634 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -36.58 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.433 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 36.9 t -62.88 -51.92 65.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.648 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.563 ' O ' ' HG3' ' A' 1314 ' ' LYS . 0.0 OUTLIER -62.18 -40.56 96.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 53.1 m -60.42 -37.97 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.615 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 53.3 m -63.61 -43.12 97.82 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.349 0.595 . . . . 0.0 109.971 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.618 ' O ' ' HG ' ' A' 1317 ' ' LEU . 66.7 m -60.78 -48.17 83.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.634 175.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' A' 1310 ' ' MET . 65.2 mttm -59.63 -35.52 74.54 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.031 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1315 ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' 1339 ' ' ALA . 29.1 tp -65.89 -50.97 62.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.998 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' 1320 ' ' LYS . 91.1 mt -63.34 -30.11 71.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.493 -177.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' 1313 ' ' SER . 89.4 mt -58.46 -45.64 88.18 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.678 0.275 . . . . 0.0 110.824 177.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.47 -35.0 78.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.669 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.95 96.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.893 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1320 ' ' LYS . . . . . 0.505 ' HZ1' ' HB2' ' A' 1320 ' ' LYS . 9.7 mtmp? -59.78 -56.27 23.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 0.0 110.668 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -61.72 -31.32 71.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.015 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.572 HD11 ' HD2' ' A' 1332 ' ' LYS . 20.1 tp -77.73 -16.4 58.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -177.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 50.6 m -81.5 -31.72 32.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.362 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 26.8 p -86.56 -41.28 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.47 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -116.31 90.03 28.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.276 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.29 13.46 2.26 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.729 2.286 . . . . 0.0 111.676 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -100.97 -24.64 14.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.879 -175.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 10.9 t -74.75 118.33 69.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 110.946 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.98 -45.78 9.72 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.226 2.617 . . . . 0.0 112.252 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 42.0 t30 -60.95 -28.14 68.76 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.725 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.6 -30.32 68.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.176 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.572 ' HD2' HD11 ' A' 1322 ' ' LEU . 4.2 mptp? -70.12 -46.79 64.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.177 0.513 . . . . 0.0 109.788 172.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 7.2 m -61.26 -43.79 98.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.155 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.58 -42.61 99.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.997 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1335 ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' 1256 ' ' LEU . 7.3 tt -61.91 -47.37 85.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.84 80.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.163 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -69.0 -41.17 78.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.539 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.28 -41.91 84.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.309 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1339 ' ' ALA . . . . . 0.557 ' HA ' HD21 ' A' 1315 ' ' LEU . . . -61.65 -36.83 81.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.131 0.491 . . . . 0.0 110.319 176.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -62.93 -43.55 98.48 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.906 175.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.44 99.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.628 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.582 ' O ' HG13 ' A' 1346 ' ' ILE . 64.3 t -63.47 -52.56 56.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.448 177.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1343 ' ' THR . . . . . 0.466 ' HA ' HD12 ' A' 1346 ' ' ILE . 29.4 m -60.3 -36.65 78.39 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.134 0.493 . . . . 0.0 110.863 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.16 -47.25 74.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.465 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 25.5 m -66.69 -32.31 73.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.392 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' 1342 ' ' VAL . 97.0 mt -59.09 -54.27 36.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.083 0.468 . . . . 0.0 110.141 175.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -66.27 -39.24 89.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -57.93 -38.01 75.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.401 . . . . 0.0 110.689 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.767 HD22 ' HB2' ' A' 1304 ' ' ASN . 3.1 tm? -68.06 -39.6 82.97 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' 1346 ' ' ILE . 46.2 mm -70.3 -40.89 78.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.331 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 23.6 m -64.53 -26.86 68.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.241 0.543 . . . . 0.0 110.69 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 50.4 tpp -78.63 -48.24 15.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.718 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.519 ' HB3' ' HE2' ' A' 1288 ' ' MET . 55.7 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.148 -176.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 . . . . . 0 N--CA 1.461 0.101 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.08 -35.1 46.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.347 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.629 HG23 ' HA ' ' A' 1320 ' ' LYS . 22.9 m -59.89 -38.67 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.156 0.503 . . . . 0.0 110.376 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.3 -33.92 23.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.416 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.24 -37.89 89.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.248 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1212 ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' 1216 ' ' VAL . . . -63.86 -33.61 76.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.745 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1213 ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' 1209 ' ' VAL . 70.5 mt -62.07 -34.82 77.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1214 ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' 1214 ' ' ARG . 5.7 tpt180 -65.78 -40.34 91.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.244 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.17 95.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.461 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' 1212 ' ' ALA . 64.3 t -63.4 -41.43 92.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.483 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.97 -49.61 66.31 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.396 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1218 ' ' ASP . . . . . 0.404 ' O ' ' HD2' ' A' 1222 ' ' ARG . 7.8 m-20 -60.98 -52.11 66.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 120.313 0.102 . . . . 0.0 111.259 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1219 ' ' ALA . . . . . 0.433 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -53.11 -48.57 67.73 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.353 0.408 . . . . 0.0 111.205 -175.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1220 ' ' SER . . . . . 0.707 ' O ' ' HG ' ' A' 1224 ' ' LEU . 38.2 m -65.63 -55.17 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.151 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 64.7 mttp -67.94 -27.29 66.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -172.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1222 ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' 1218 ' ' ASP . 0.0 OUTLIER -76.95 -57.28 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.887 0.375 . . . . 0.0 110.714 176.538 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.757 ' HB3' HG12 ' A' 1286 ' ' VAL . 89.5 mt -72.14 -60.35 2.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -169.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1224 ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' 1220 ' ' SER . 4.1 pp . . . . . 0 N--CA 1.466 0.351 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.666 -170.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.201 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.36 -41.79 96.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.244 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.05 -37.5 84.18 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.029 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -61.75 -47.61 84.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.457 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 32.0 m -59.78 -43.25 94.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.085 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -68.12 -43.27 78.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.023 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.409 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 56.4 tp -61.34 -45.88 92.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.098 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -61.69 -37.65 84.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.677 0.275 . . . . 0.0 111.307 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.85 -50.37 56.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.293 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.71 76.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.247 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1246 ' ' ALA . . . . . 0.557 ' HB3' HD12 ' A' 1350 ' ' ILE . . . -60.88 -53.43 57.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.193 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.43 80.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.761 -178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -60.51 -44.3 97.88 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.532 175.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 37.4 tp -72.84 -31.42 64.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.684 0.278 . . . . 0.0 110.857 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1250 ' ' ASN . . . . . 0.465 ' ND2' HG22 ' A' 1343 ' ' THR . 13.1 m120 -58.81 -47.71 83.83 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.425 0.631 . . . . 0.0 109.647 174.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -33.38 71.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.864 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1252 ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -62.66 -40.16 96.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.744 177.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1253 ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' 1257 ' ' VAL . . . -67.1 -38.09 85.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.217 0.532 . . . . 0.0 109.814 174.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 94.5 m -59.35 -33.96 71.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.978 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.718 ' HG3' ' HG2' ' A' 1273 ' ' ARG . 76.5 mm-40 -55.97 -51.74 66.65 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.769 0.319 . . . . 0.0 110.295 174.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1256 ' ' LEU . . . . . 0.64 ' HB3' HD12 ' A' 1335 ' ' LEU . 39.1 mt -62.31 -34.7 77.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.723 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1257 ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' 1253 ' ' ALA . 93.1 t -61.04 -43.58 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 111.109 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -72.29 -33.66 67.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.17 0.51 . . . . 0.0 110.367 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1259 ' ' ALA . . . . . 0.685 ' HB2' HD23 ' A' 1267 ' ' LEU . . . -74.8 -25.34 58.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.164 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1260 ' ' SER . . . . . 0.575 ' O ' ' HG3' ' A' 1332 ' ' LYS . 88.5 p -49.3 -28.83 5.21 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -169.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -63.82 -16.54 61.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.842 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 108.22 82.93 1.48 Allowed Glycine 0 CA--C 1.496 -1.133 0 C-N-CA 120.841 -0.695 . . . . 0.0 114.029 168.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1263 ' ' THR . . . . . 0.534 ' OG1' ' HB2' ' A' 1266 ' ' ASP . 73.4 p -143.63 114.43 5.6 Favored Pre-proline 0 N--CA 1.442 -0.871 0 CA-C-N 114.745 -0.727 . . . . 0.0 109.599 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.7 -48.58 18.65 Favored 'Trans proline' 0 N--CA 1.474 0.373 0 C-N-CA 123.512 2.808 . . . . 0.0 113.955 -171.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -70.37 -26.12 63.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.682 -175.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1266 ' ' ASP . . . . . 0.534 ' HB2' ' OG1' ' A' 1263 ' ' THR . 10.6 m-20 -80.28 -50.85 9.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.609 178.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.685 HD23 ' HB2' ' A' 1259 ' ' ALA . 3.1 mm? -51.36 -54.31 27.65 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.413 0.446 . . . . 0.0 111.212 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -60.84 -47.29 87.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.354 -177.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -61.56 -44.65 96.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.191 0.519 . . . . 0.0 110.052 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.36 -34.4 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.271 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 27.5 m -64.03 -45.1 90.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.741 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -69.39 -37.92 80.01 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.533 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1273 ' ' ARG . . . . . 0.718 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 6.1 tpm_? -60.11 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.534 176.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1274 ' ' PHE . . . . . 0.773 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 82.2 t80 -63.45 -50.02 71.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.317 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.59 -33.03 85.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.639 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -71.09 -50.65 31.45 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.711 -0.288 . . . . 0.0 110.688 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.43 -33.13 75.16 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.032 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' 1309 ' ' SER . 75.0 t80 -57.86 -44.56 86.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.164 175.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1279 ' ' SER . . . . . 0.533 ' O ' ' HG3' ' A' 1283 ' ' GLU . 19.6 m -58.0 -48.6 79.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.889 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 25.3 m -61.57 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.156 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1281 ' ' PHE . . . . . 0.449 ' HE2' HG22 ' A' 1308 ' ' ILE . 86.0 t80 -61.55 -47.37 85.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.043 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.433 HD23 ' HB1' ' A' 1219 ' ' ALA . 23.2 tp -66.24 -37.91 86.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -176.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1283 ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' 1279 ' ' SER . 52.3 mt-10 -64.54 -38.47 91.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.746 0.307 . . . . 0.0 110.597 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.07 85.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.209 0.528 . . . . 0.0 110.139 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1285 ' ' GLY . . . . . 0.602 ' O ' ' HG3' ' A' 1288 ' ' MET . . . -64.07 -44.31 96.0 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.403 177.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.757 HG12 ' HB3' ' A' 1223 ' ' LEU . 23.0 m -73.17 -24.27 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 O-C-N 122.38 -0.483 . . . . 0.0 111.066 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.36 -45.76 86.32 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 173.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.603 ' SD ' HG23 ' A' 1301 ' ' VAL . 2.5 ppp? -73.53 -26.56 60.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.061 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -70.76 -29.24 65.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.017 0.437 . . . . 0.0 110.298 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -75.68 -25.51 67.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.605 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' A' 1288 ' ' MET . 5.3 pp0? -85.73 -11.38 53.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.745 0.273 . . . . 0.0 110.759 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1292 ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -69.43 113.44 16.94 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.171 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1293 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 1.7 Cg_endo -81.88 -17.96 8.0 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 123.287 2.658 . . . . 0.0 112.654 -174.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 9.4 m -97.9 131.44 44.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.923 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -67.61 -40.69 84.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -174.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -69.18 -44.19 72.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.492 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -57.04 -42.82 81.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.144 0.497 . . . . 0.0 110.176 175.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.526 ' O ' HG22 ' A' 1302 ' ' VAL . 39.3 ttp180 -67.46 -40.29 85.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.869 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.28 90.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.978 0.418 . . . . 0.0 110.421 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -65.17 -44.51 88.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.205 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.603 HG23 ' SD ' ' A' 1288 ' ' MET . 14.4 p -66.64 -31.83 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.657 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' 1298 ' ' ARG . 77.1 t -65.37 -41.4 91.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.534 0.207 . . . . 0.0 111.247 177.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.0 p -65.55 -27.59 68.55 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.911 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1304 ' ' ASN . . . . . 0.691 ' HB2' HD23 ' A' 1349 ' ' LEU . 35.4 m-20 -70.34 -42.17 72.25 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' 1301 ' ' VAL . 92.2 mt -59.94 -42.02 93.1 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.696 178.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -58.05 -46.78 84.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.608 0.242 . . . . 0.0 110.358 175.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1307 ' ' GLY . . . . . 0.623 ' HA2' ' HE1' ' A' 1310 ' ' MET . . . -55.01 -48.42 67.5 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.619 -177.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1308 ' ' ILE . . . . . 0.449 HG22 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -72.27 -37.12 57.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.395 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1309 ' ' SER . . . . . 0.565 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 61.6 m -63.0 -49.6 74.03 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.886 0.374 . . . . 0.0 111.24 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.623 ' HE1' ' HA2' ' A' 1307 ' ' GLY . 26.2 ptt? -67.28 -34.2 76.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.634 -177.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 50.1 m -69.19 -36.8 77.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.513 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 58.8 m -64.01 -38.68 91.97 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.551 0.691 . . . . 0.0 109.455 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.554 ' O ' ' HG ' ' A' 1317 ' ' LEU . 49.5 m -59.37 -50.42 74.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.308 175.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.591 ' HA ' HD11 ' A' 1317 ' ' LEU . 59.3 mttm -63.98 -35.29 80.2 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.272 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1315 ' ' LEU . . . . . 0.566 HD22 ' HA ' ' A' 1339 ' ' ALA . 45.3 tp -63.52 -48.95 75.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.662 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1316 ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.06 -31.36 72.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.591 HD11 ' HA ' ' A' 1314 ' ' LYS . 96.2 mt -62.05 -38.03 87.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.618 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.51 -38.85 74.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.306 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.66 -35.59 81.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.06 0.457 . . . . 0.0 110.487 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1320 ' ' LYS . . . . . 0.629 ' HA ' HG23 ' A' 1209 ' ' VAL . 18.9 ttmm -55.43 -56.83 15.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.753 174.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.18 70.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.271 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' 1260 ' ' SER . 44.5 tp -76.84 -28.42 55.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.622 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 47.4 m -72.05 -30.28 65.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.815 0.341 . . . . 0.0 110.579 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 9.2 t -93.69 -20.97 19.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.075 0.464 . . . . 0.0 110.349 177.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 9.6 t0 -132.01 85.82 49.26 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.214 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -91.78 20.62 0.85 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.725 2.283 . . . . 0.0 111.55 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -108.28 -36.31 6.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.926 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.1 m -70.78 112.04 11.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.01 -34.16 71.52 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.872 2.381 . . . . 0.0 112.772 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -62.72 -25.71 68.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.121 0.486 . . . . 0.0 110.832 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.62 -32.42 47.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.083 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.2 mptm? -63.31 -48.76 76.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.108 0.48 . . . . 0.0 110.1 175.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 49.8 m -63.34 -40.59 97.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.713 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -64.73 -41.3 96.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1335 ' ' LEU . . . . . 0.64 HD12 ' HB3' ' A' 1256 ' ' LEU . 2.3 tm? -58.08 -52.33 65.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1336 ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -62.53 -35.83 80.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.133 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -68.39 -43.37 77.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.827 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' 1342 ' ' VAL . . . -65.78 -39.78 91.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.435 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1339 ' ' ALA . . . . . 0.566 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -60.89 -40.73 94.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1340 ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' 1336 ' ' ALA . 34.5 mmt180 -68.52 -33.82 74.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.476 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -67.1 -42.16 85.07 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' 1338 ' ' ALA . 86.8 t -60.19 -51.4 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1343 ' ' THR . . . . . 0.485 ' HA ' HD13 ' A' 1346 ' ' ILE . 28.6 m -59.35 -41.14 88.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.841 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1344 ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' 1348 ' ' GLN . 22.2 t70 -58.85 -48.18 82.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.549 177.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 20.9 m -61.62 -36.5 80.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.633 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.621 ' O ' HG12 ' A' 1350 ' ' ILE . 89.1 mt -57.49 -51.2 72.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.923 174.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -58.36 -39.57 79.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.353 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1348 ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' 1344 ' ' ASP . 12.7 mm100 -66.12 -35.24 79.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.691 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.2 tm? -73.18 -45.04 58.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.621 HG12 ' O ' ' A' 1346 ' ' ILE . 44.0 mm -58.73 -48.73 85.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 91.0 m -57.68 -38.02 74.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.929 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 96.0 mmm -66.18 -29.19 69.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 110.815 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.401 ' SG ' ' HE3' ' A' 1288 ' ' MET . 21.6 m . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.585 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1208 ' ' ASP . . . . . 0.651 ' HA ' ' HB3' ' A' 1211 ' ' ASN . 1.6 m-20 -63.94 -22.72 67.05 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -174.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.521 ' O ' ' HG ' ' A' 1213 ' ' LEU . 45.4 t -68.54 -38.98 79.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.419 0.628 . . . . 0.0 109.308 176.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.49 -33.71 31.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.318 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1211 ' ' ASN . . . . . 0.651 ' HB3' ' HA ' ' A' 1208 ' ' ASP . 31.9 t30 -56.69 -41.94 78.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.158 175.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1212 ' ' ALA . . . . . 0.43 ' O ' HG21 ' A' 1216 ' ' VAL . . . -66.74 -36.1 81.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.727 177.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1213 ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' 1209 ' ' VAL . 66.2 mt -62.74 -41.49 99.22 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 60.5 ttp85 -58.3 -40.45 82.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.068 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -65.28 -51.13 62.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.485 ' HA ' ' CE2' ' A' 1278 ' ' PHE . 73.5 t -58.88 -50.82 78.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.75 -46.24 90.33 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.78 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.17 -45.51 88.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.452 0.168 . . . . 0.0 110.921 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1219 ' ' ALA . . . . . 0.441 ' HB3' HD21 ' A' 1282 ' ' LEU . . . -62.4 -33.44 74.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.012 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 56.4 m -66.54 -42.58 86.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.809 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -78.68 -26.66 44.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.872 0.368 . . . . 0.0 111.043 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -76.43 -42.61 43.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.359 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.51 HD13 ' HG2' ' A' 1283 ' ' GLU . 40.9 mt -110.53 -52.69 2.76 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1224 ' ' LEU . . . . . 0.624 ' O ' ' HG ' ' A' 1224 ' ' LEU . 55.7 tp . . . . . 0 N--CA 1.44 -0.948 0 CA-C-O 121.629 0.728 . . . . 0.0 110.963 -169.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.938 0.399 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -62.61 -38.66 91.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.403 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.73 92.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.428 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1239 ' ' GLN . . . . . 0.496 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 36.3 tt0 -62.27 -51.88 65.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.755 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 49.4 m -61.09 -32.38 72.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1241 ' ' ARG . . . . . 0.423 ' HG2' ' HB3' ' A' 1284 ' ' ALA . 33.8 ttm180 -71.51 -41.07 69.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 178.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.92 -42.13 88.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.983 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -58.05 -45.29 87.27 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.28 -46.35 61.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.668 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1245 ' ' ALA . . . . . 0.744 ' HB3' ' HA ' ' A' 1281 ' ' PHE . . . -64.01 -36.3 83.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.075 -176.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1246 ' ' ALA . . . . . 0.548 ' HB3' HD13 ' A' 1350 ' ' ILE . . . -62.12 -53.43 55.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.153 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.51 72.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.253 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.71 -46.24 92.48 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.825 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 29.5 tp -74.98 -29.84 61.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.65 0.262 . . . . 0.0 110.644 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 10.2 m120 -59.22 -44.64 92.29 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.323 0.582 . . . . 0.0 109.74 173.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1251 ' ' GLN . . . . . 0.454 ' O ' ' HB ' ' A' 1254 ' ' THR . 24.7 tm0? -71.48 -38.3 71.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.844 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1252 ' ' ALA . . . . . 0.725 ' HB2' ' HA ' ' A' 1274 ' ' PHE . . . -60.53 -44.0 96.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.136 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1253 ' ' ALA . . . . . 0.5 ' O ' HG21 ' A' 1257 ' ' VAL . . . -65.17 -39.12 92.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.869 0.366 . . . . 0.0 110.155 176.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1254 ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' 1251 ' ' GLN . 52.0 m -54.37 -41.25 68.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.884 175.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' 1251 ' ' GLN . 8.8 mm-40 -59.19 -45.34 91.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1256 ' ' LEU . . . . . 0.534 ' HB3' HD22 ' A' 1335 ' ' LEU . 26.7 mt -64.73 -37.04 86.24 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 121.111 -0.235 . . . . 0.0 110.711 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1257 ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' 1253 ' ' ALA . 64.7 t -57.96 -49.87 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.855 0.36 . . . . 0.0 110.554 177.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -66.81 -43.91 82.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.297 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1259 ' ' ALA . . . . . 0.561 ' HB1' ' HA ' ' A' 1267 ' ' LEU . . . -59.65 -39.99 86.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.095 -176.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1260 ' ' SER . . . . . 0.44 ' HB3' HD11 ' A' 1335 ' ' LEU . 97.8 p -58.35 -34.06 70.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.115 0.484 . . . . 0.0 110.591 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -102.45 21.42 15.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.732 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -125.68 -99.2 1.17 Allowed Glycine 0 N--CA 1.436 -1.317 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 43.3 p -137.49 153.37 74.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 120.514 0.197 . . . . 0.0 110.988 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -59.07 -29.34 90.34 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.671 2.247 . . . . 0.0 111.643 174.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.34 -45.65 83.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.469 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.04 -43.28 83.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.453 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.561 ' HA ' ' HB1' ' A' 1259 ' ' ALA . 42.1 tp -56.14 -45.99 79.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.391 178.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1268 ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' 1271 ' ' SER . . . -61.11 -49.6 76.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -63.95 -36.75 85.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.905 0.384 . . . . 0.0 110.388 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.63 86.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1271 ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' 1268 ' ' ALA . 37.5 m -55.76 -43.46 76.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.691 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.57 -38.42 96.27 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.249 -176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -72.1 -43.77 64.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.621 0.248 . . . . 0.0 110.508 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1274 ' ' PHE . . . . . 0.725 ' HA ' ' HB2' ' A' 1252 ' ' ALA . 83.8 t80 -55.76 -50.82 69.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.426 -176.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.72 -35.55 92.17 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.408 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.74 -48.94 57.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.682 0.277 . . . . 0.0 110.932 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -33.1 74.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.093 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' 1216 ' ' VAL . 72.5 t80 -59.64 -44.76 93.39 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.711 0.291 . . . . 0.0 110.265 175.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1279 ' ' SER . . . . . 0.558 ' O ' ' HG3' ' A' 1283 ' ' GLU . 47.1 m -58.27 -47.45 83.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.42 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 27.3 m -60.33 -44.51 95.42 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1281 ' ' PHE . . . . . 0.744 ' HA ' ' HB3' ' A' 1245 ' ' ALA . 85.3 t80 -61.86 -45.72 92.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.979 178.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.606 ' O ' HG22 ' A' 1286 ' ' VAL . 31.2 tp -66.29 -41.65 89.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.79 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1283 ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' 1279 ' ' SER . 50.3 mt-10 -58.37 -39.54 79.85 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.764 0.316 . . . . 0.0 110.593 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1284 ' ' ALA . . . . . 0.423 ' HB3' ' HG2' ' A' 1241 ' ' ARG . . . -70.25 -42.14 72.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.772 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1285 ' ' GLY . . . . . 0.594 ' O ' ' HG3' ' A' 1288 ' ' MET . . . -61.93 -49.65 73.46 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.661 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' 1282 ' ' LEU . 10.0 t -69.15 -24.44 28.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.156 0.503 . . . . 0.0 110.007 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1287 ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' 1291 ' ' GLN . 35.5 tt0 -65.94 -46.89 76.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.245 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.721 ' SD ' HG22 ' A' 1301 ' ' VAL . 3.8 ppp? -70.21 -28.82 65.59 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.81 73.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.113 0.482 . . . . 0.0 109.928 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -72.78 -28.44 67.07 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.964 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' 1287 ' ' GLU . 81.3 mm-40 -62.15 -44.96 95.46 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 175.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -62.52 116.3 22.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.499 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.73 -32.52 1.53 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.16 2.573 . . . . 0.0 112.679 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 35.3 m -77.89 134.47 37.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.825 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -66.05 -41.04 91.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.378 -176.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.02 -35.71 81.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.608 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -73.88 -43.03 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.901 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.528 ' O ' HG23 ' A' 1302 ' ' VAL . 36.6 ttm180 -64.13 -52.92 56.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.285 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.82 67.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.372 -177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -64.74 -52.96 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.431 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.721 HG22 ' SD ' ' A' 1288 ' ' MET . 10.2 p -70.23 -29.12 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.167 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' 1298 ' ' ARG . 78.7 t -64.38 -31.36 53.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.161 0.505 . . . . 0.0 110.46 175.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 49.5 m -68.09 -37.34 81.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.253 175.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1304 ' ' ASN . . . . . 0.612 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 49.0 m-20 -62.94 -44.51 95.86 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' 1302 ' ' VAL . 96.0 mt -55.95 -51.3 68.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.322 -178.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -64.29 -38.93 92.8 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.44 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1307 ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' 1310 ' ' MET . . . -57.6 -44.79 93.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.733 -178.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1308 ' ' ILE . . . . . 0.423 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -77.89 -36.54 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 122.506 -0.408 . . . . 0.0 110.363 178.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1309 ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 56.3 m -62.22 -38.78 90.47 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.883 0.373 . . . . 0.0 111.21 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.774 ' O ' ' HD3' ' A' 1314 ' ' LYS . 0.0 OUTLIER -74.03 -36.19 64.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.021 178.413 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 70.7 m -61.19 -43.19 99.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.658 0.265 . . . . 0.0 110.983 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 9.9 p -69.0 -37.37 78.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.335 0.588 . . . . 0.0 110.324 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.406 ' O ' ' HG ' ' A' 1317 ' ' LEU . 42.1 t -60.89 -52.78 63.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.515 176.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.774 ' HD3' ' O ' ' A' 1310 ' ' MET . 3.6 mptp? -64.84 -29.85 70.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.947 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1315 ' ' LEU . . . . . 0.643 HD22 ' HA ' ' A' 1339 ' ' ALA . 19.1 tp -62.48 -51.95 65.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 111.038 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' 1320 ' ' LYS . 81.7 mt -60.88 -26.66 67.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.398 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' 1314 ' ' LYS . 96.8 mt -60.35 -35.26 75.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -71.28 -33.38 69.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.949 0.404 . . . . 0.0 110.242 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.95 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.692 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1320 ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' 1316 ' ' LEU . 41.3 mtpt -58.55 -54.04 51.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.04 177.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -67.0 -33.18 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.196 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.858 HD11 ' HZ3' ' A' 1332 ' ' LYS . 34.7 tp -70.15 -23.75 63.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.06 -177.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 50.5 m -78.14 -23.28 47.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.972 0.415 . . . . 0.0 110.178 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 35.7 m -83.01 -52.14 6.93 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.626 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.16 88.46 51.14 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.941 176.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -76.24 -15.48 18.08 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 123.069 2.513 . . . . 0.0 113.549 -171.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -91.37 2.33 56.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 4.8 m -72.94 112.22 14.52 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.134 -177.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -60.28 -53.15 3.2 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.461 2.774 . . . . 0.0 113.75 -174.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -70.93 -18.12 62.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.14 0.495 . . . . 0.0 110.909 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 15.2 tp -70.99 -25.27 62.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.764 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.858 ' HZ3' HD11 ' A' 1322 ' ' LEU . 4.9 mptp? -71.01 -50.89 29.19 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.079 173.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 5.1 p -64.44 -35.06 79.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.501 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -61.27 -44.06 97.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.877 0.37 . . . . 0.0 110.278 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1335 ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' 1256 ' ' LEU . 7.0 tt -66.19 -45.09 82.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.876 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -59.09 -41.64 88.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.989 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.75 78.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' 1342 ' ' VAL . . . -68.47 -41.23 80.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.777 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1339 ' ' ALA . . . . . 0.643 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -64.89 -35.49 81.31 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.165 0.507 . . . . 0.0 110.249 177.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -64.13 -41.7 97.11 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.88 175.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.47 96.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.673 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' 1338 ' ' ALA . 61.4 t -56.56 -50.09 74.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.853 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 39.5 m -58.82 -45.53 89.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.315 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -64.07 -38.68 91.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.476 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 73.8 m -68.73 -38.3 80.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.724 0.297 . . . . 0.0 110.962 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' 1342 ' ' VAL . 92.3 mt -59.15 -49.23 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 173.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -56.01 -45.22 79.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.755 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -55.93 -41.86 75.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.804 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.506 HD13 HD21 ' A' 1305 ' ' LEU . 0.5 OUTLIER -67.25 -39.71 86.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.548 HD13 ' HB3' ' A' 1246 ' ' ALA . 38.5 mm -71.19 -38.26 69.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.202 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 15.6 m -62.81 -30.54 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.195 0.521 . . . . 0.0 110.573 177.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 23.9 mmt -80.14 -46.04 17.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.139 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 40.8 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.148 0.499 . . . . 0.0 111.09 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.413 0.149 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -40.56 98.06 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.446 0.165 . . . . 0.0 111.253 177.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.572 ' CG2' ' HG2' ' A' 1320 ' ' LYS . 16.0 m -73.75 -30.16 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.955 0.407 . . . . 0.0 110.106 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -73.81 -44.47 55.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.555 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.36 -39.84 88.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.129 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.8 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.628 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1213 ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' 1209 ' ' VAL . 41.3 mt -63.07 -38.22 90.32 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.912 177.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -67.03 -41.12 87.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.455 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -55.96 -45.0 79.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.509 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.555 HG13 ' CE2' ' A' 1278 ' ' PHE . 47.8 t -70.16 -40.23 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.426 176.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.34 -45.72 92.6 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.12 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -65.56 -44.27 87.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.609 -0.348 . . . . 0.0 110.535 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.71 98.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.597 -177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1220 ' ' SER . . . . . 0.446 ' HA ' HD21 ' A' 1224 ' ' LEU . 8.4 p -63.74 -37.62 88.06 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.211 -0.196 . . . . 0.0 111.458 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -78.63 -31.71 47.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.014 0.435 . . . . 0.0 111.576 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -71.96 -42.85 66.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.912 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.603 ' HB3' ' CG1' ' A' 1286 ' ' VAL . 48.8 mt -98.22 -59.78 1.68 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.592 -171.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1224 ' ' LEU . . . . . 0.511 HD13 HG13 ' A' 1302 ' ' VAL . 3.3 mm? . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.121 0.486 . . . . 0.0 109.875 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 25.0 tp60 . . . . . 0 C--O 1.233 0.232 0 N-CA-C 111.387 0.143 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.62 -35.77 81.79 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.92 0.391 . . . . 0.0 110.499 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -69.83 -47.82 61.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.863 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.8 -47.39 82.72 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.631 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 9.0 t -61.38 -36.85 81.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.958 0.408 . . . . 0.0 110.352 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -72.79 -46.66 52.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.553 0.692 . . . . 0.0 109.649 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.444 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 48.8 tp -64.04 -41.67 97.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.082 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -64.77 -38.24 90.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.156 0.503 . . . . 0.0 110.035 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.71 -48.65 76.24 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.099 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.56 95.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.651 -177.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1246 ' ' ALA . . . . . 0.442 ' HB2' HD13 ' A' 1350 ' ' ILE . . . -56.66 -51.77 67.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.926 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.2 75.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.522 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.69 -39.39 77.52 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.152 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.3 tp -73.39 -30.09 63.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.56 0.219 . . . . 0.0 110.651 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -56.46 -46.6 80.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.05 0.452 . . . . 0.0 110.094 174.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1251 ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' 1255 ' ' GLU . 51.3 tp60 -73.15 -29.64 63.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.412 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1252 ' ' ALA . . . . . 0.579 ' HB2' ' HA ' ' A' 1274 ' ' PHE . . . -60.67 -45.03 95.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.865 0.364 . . . . 0.0 110.413 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.71 80.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.459 0.647 . . . . 0.0 109.905 174.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1254 ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' 1251 ' ' GLN . 43.6 m -58.89 -40.08 83.36 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.148 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' 1251 ' ' GLN . 57.2 mm-40 -60.57 -41.57 94.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1256 ' ' LEU . . . . . 0.499 ' HB3' HD22 ' A' 1335 ' ' LEU . 34.3 mt -63.74 -37.02 85.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.61 0.243 . . . . 0.0 111.05 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 53.2 t -64.29 -46.21 93.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.04 0.447 . . . . 0.0 110.418 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -63.62 -33.99 76.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.299 0.571 . . . . 0.0 110.456 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1259 ' ' ALA . . . . . 0.435 ' HB2' HD23 ' A' 1267 ' ' LEU . . . -69.62 -30.37 68.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.078 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1260 ' ' SER . . . . . . . . . . . . . 45.5 m -60.51 -36.57 78.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.163 0.506 . . . . 0.0 110.483 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -99.95 20.23 14.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.241 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.19 -97.63 1.54 Allowed Glycine 0 N--CA 1.439 -1.142 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 43.0 p -145.66 155.24 52.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.738 0.269 . . . . 0.0 110.897 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1264 ' ' PRO . . . . . 0.751 ' HA ' HD13 ' A' 1267 ' ' LEU . 9.3 Cg_endo -55.07 -34.99 89.32 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.008 2.472 . . . . 0.0 112.032 172.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -72.07 -33.31 67.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.709 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.11 -39.6 71.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' 1264 ' ' PRO . 35.1 mt -53.95 -48.37 70.33 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.591 172.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.69 67.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.386 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -63.45 -37.15 86.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 0.0 110.271 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.87 78.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.769 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1271 ' ' SER . . . . . 0.516 ' OG ' HG11 ' A' 1209 ' ' VAL . 21.0 m -64.98 -40.77 95.46 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.97 -38.06 95.51 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.077 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1273 ' ' ARG . . . . . 0.503 ' HA ' ' HE ' ' A' 1273 ' ' ARG . 0.3 OUTLIER -71.66 -50.86 26.63 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 177.547 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1274 ' ' PHE . . . . . 0.579 ' HA ' ' HB2' ' A' 1252 ' ' ALA . 84.0 t80 -56.95 -51.3 69.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.401 -177.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.32 -44.05 98.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.152 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1276 ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' 1276 ' ' GLN . 6.7 tp60 -72.12 -39.65 68.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -176.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.61 -38.49 77.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.296 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.555 ' CE2' HG13 ' A' 1216 ' ' VAL . 63.8 t80 -55.16 -39.58 69.68 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.334 177.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 14.3 t -53.69 -49.86 67.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.973 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 31.7 m -63.78 -37.97 89.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.261 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1281 ' ' PHE . . . . . 0.437 ' HE2' HG23 ' A' 1308 ' ' ILE . 85.2 t80 -63.21 -50.62 69.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.92 177.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.451 HD13 HD22 ' A' 1224 ' ' LEU . 26.0 tp -65.24 -36.87 85.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 -176.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1283 ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' 1286 ' ' VAL . 43.6 mt-10 -65.32 -27.63 68.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -76.06 -25.53 55.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.209 0.528 . . . . 0.0 110.428 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -66.5 -34.54 88.02 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.644 -0.707 . . . . 0.0 113.014 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.603 ' CG1' ' HB3' ' A' 1223 ' ' LEU . 34.2 m -72.48 -23.34 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.872 0.336 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.44 -36.41 84.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.516 ' O ' ' HG2' ' A' 1291 ' ' GLN . 68.0 mmm -72.18 -50.33 28.56 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.577 176.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1289 ' ' ALA . . . . . 0.404 ' HA ' HG13 ' A' 1301 ' ' VAL . . . -63.28 -33.61 75.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.254 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -77.34 -22.7 69.94 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.963 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' 1288 ' ' MET . 3.5 pt20 -89.8 0.03 57.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.078 0.466 . . . . 0.0 110.216 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1292 ' ' ALA . . . . . 0.442 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -93.25 111.42 51.86 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.827 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1293 ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.5 Cg_exo -74.49 -43.09 0.52 Allowed 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.212 2.608 . . . . 0.0 112.666 -176.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 9.4 m -72.98 129.18 37.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.107 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -61.14 -37.62 83.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.322 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -66.11 -44.41 84.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.006 0.431 . . . . 0.0 110.389 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.52 -41.23 93.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.156 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.43 ' O ' HG22 ' A' 1302 ' ' VAL . 40.9 ttm180 -62.87 -43.49 98.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.321 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -62.97 -38.35 90.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.532 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -61.0 -48.64 80.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.283 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.404 HG13 ' HA ' ' A' 1289 ' ' ALA . 12.3 p -68.53 -32.74 56.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 120.682 0.277 . . . . 0.0 110.709 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.511 HG13 HD13 ' A' 1224 ' ' LEU . 42.9 t -67.82 -31.54 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.395 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 55.7 m -54.82 -40.99 70.13 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.723 0.297 . . . . 0.0 111.25 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1304 ' ' ASN . . . . . 0.767 ' HB2' HD21 ' A' 1349 ' ' LEU . 2.6 m-80 -73.57 -36.39 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' 1302 ' ' VAL . 97.4 mt -59.64 -48.2 82.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.313 178.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -62.03 -46.48 88.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.964 175.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.17 -49.46 59.52 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.335 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1308 ' ' ILE . . . . . 0.485 HD13 ' O ' ' A' 1308 ' ' ILE . 0.0 OUTLIER -74.21 -35.48 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 110.464 -0.198 . . . . 0.0 110.464 -178.173 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1309 ' ' SER . . . . . 0.531 ' HA ' ' CZ ' ' A' 1278 ' ' PHE . 28.1 t -66.69 -39.29 88.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.055 0.455 . . . . 0.0 110.887 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' 1314 ' ' LYS . 54.9 mtt -77.47 -39.89 44.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.119 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 64.3 m -65.3 -35.46 81.07 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.061 -0.255 . . . . 0.0 111.2 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 10.5 p -68.12 -38.14 81.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.138 0.494 . . . . 0.0 110.086 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.54 ' O ' ' HG ' ' A' 1317 ' ' LEU . 71.0 m -57.78 -50.6 72.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.149 173.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.495 ' HA ' HD11 ' A' 1317 ' ' LEU . 57.5 mttm -65.0 -31.97 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.043 -178.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.31 -49.04 73.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.068 0.461 . . . . 0.0 110.608 176.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' 1320 ' ' LYS . 81.5 mt -66.23 -30.31 70.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' 1313 ' ' SER . 93.0 mt -61.18 -41.37 96.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 110.476 175.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -65.05 -36.4 84.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.322 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.88 82.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.959 178.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1320 ' ' LYS . . . . . 0.572 ' HG2' ' CG2' ' A' 1209 ' ' VAL . 5.7 mtpm? -57.33 -55.24 37.28 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.405 0.621 . . . . 0.0 110.071 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.47 87.6 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.163 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1322 ' ' LEU . . . . . . . . . . . . . 23.4 tp -70.17 -27.42 64.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.139 -177.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1323 ' ' SER . . . . . 0.48 ' HA ' ' HB3' ' A' 1264 ' ' PRO . 50.3 m -73.77 -28.75 61.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.863 0.363 . . . . 0.0 110.578 176.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 34.7 p -88.21 -30.52 19.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 110.97 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 23.2 t0 -134.28 86.06 37.03 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.941 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -87.77 10.72 3.38 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 122.592 2.194 . . . . 0.0 112.491 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -103.9 -5.11 22.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.128 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 67.3 m -85.68 113.41 51.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.057 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.96 -43.08 16.78 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.784 2.323 . . . . 0.0 112.631 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 6.1 t30 -64.49 -30.63 71.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.008 0.432 . . . . 0.0 110.637 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 12.1 tp -66.59 -33.88 76.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.55 -178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1332 ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -65.14 -46.22 81.79 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.113 0.482 . . . . 0.0 110.298 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 19.2 m -66.13 -37.08 84.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.09 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -64.71 -45.36 86.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1335 ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' 1256 ' ' LEU . 9.0 tt -60.56 -44.09 96.54 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.07 77.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.029 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -70.24 -35.3 73.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 110.783 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' 1342 ' ' VAL . . . -72.23 -40.42 67.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.469 176.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -61.83 -36.97 82.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.1 0.476 . . . . 0.0 110.461 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -58.68 -46.39 87.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.942 173.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.4 98.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.836 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' 1346 ' ' ILE . 85.0 t -61.87 -53.02 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.515 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1343 ' ' THR . . . . . 0.487 ' HA ' HD13 ' A' 1346 ' ' ILE . 27.4 m -61.86 -38.84 89.75 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.046 0.45 . . . . 0.0 110.688 -177.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.93 -50.25 74.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.825 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 54.0 m -68.35 -29.73 68.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.387 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.59 ' O ' HG12 ' A' 1350 ' ' ILE . 95.1 mt -58.73 -54.83 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.094 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 174.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -68.03 -38.75 82.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.846 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -57.03 -37.95 72.47 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.037 0.446 . . . . 0.0 110.644 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -67.97 -46.78 70.43 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.387 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' 1346 ' ' ILE . 40.9 mm -61.08 -44.66 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.295 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 87.4 m -49.61 -50.31 43.26 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.642 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 18.2 ptp -80.54 -27.37 37.6 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.411 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.515 ' HB3' ' HE3' ' A' 1288 ' ' MET . 98.7 m . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.536 0.208 . . . . 0.0 111.538 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.41 -42.22 66.79 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.778 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 33.1 m -63.7 -28.82 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.034 0.445 . . . . 0.0 111.042 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -82.91 -45.02 14.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.675 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -60.94 -33.06 72.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.11 98.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.342 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1213 ' ' LEU . . . . . 0.487 HD11 ' HD2' ' A' 1320 ' ' LYS . 42.7 mt -66.55 -32.49 73.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 178.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -64.89 -48.59 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.982 175.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -59.23 -47.96 83.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.436 HG13 ' CE2' ' A' 1278 ' ' PHE . 97.2 t -62.0 -36.88 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.015 0.436 . . . . 0.0 110.147 176.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.75 -45.49 94.24 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.561 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -55.21 -49.91 70.74 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.15 0.5 . . . . 0.0 110.32 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1219 ' ' ALA . . . . . 0.696 ' HB2' HD22 ' A' 1282 ' ' LEU . . . -64.2 -40.58 96.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.916 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1220 ' ' SER . . . . . 0.551 ' O ' ' HB2' ' A' 1224 ' ' LEU . 50.0 m -67.17 -32.21 73.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.929 0.395 . . . . 0.0 111.03 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 84.6 tttt -76.75 -43.85 35.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.889 0.376 . . . . 0.0 110.814 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -69.03 -53.29 21.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.157 0.503 . . . . 0.0 111.559 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.749 ' HB3' HG23 ' A' 1286 ' ' VAL . 56.5 mt -91.24 -42.79 10.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.746 -165.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1224 ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' A' 1220 ' ' SER . 3.9 mm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.561 0.696 . . . . 0.0 110.632 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--O 1.227 -0.079 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.89 -38.56 79.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.168 0.508 . . . . 0.0 110.29 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.59 76.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.066 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -62.93 -42.72 99.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.661 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 22.6 m -58.1 -36.28 72.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.195 0.522 . . . . 0.0 110.628 176.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -67.29 -36.15 80.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.316 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.525 HD22 ' HB1' ' A' 1284 ' ' ALA . 3.7 mm? -60.29 -36.33 77.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.097 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.69 -47.41 75.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.99 0.424 . . . . 0.0 110.583 -176.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.46 -44.37 78.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.774 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1245 ' ' ALA . . . . . 0.466 ' HB2' ' HA ' ' A' 1281 ' ' PHE . . . -67.55 -36.96 81.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.59 -177.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.19 95.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.208 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.17 86.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.743 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -64.25 -49.47 65.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.082 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1249 ' ' LEU . . . . . 0.445 HD11 ' HB2' ' A' 1252 ' ' ALA . 34.4 tp -70.68 -31.32 68.17 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.827 -0.22 . . . . 0.0 110.818 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -52.71 -51.29 61.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.324 0.583 . . . . 0.0 109.726 173.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1251 ' ' GLN . . . . . 0.464 ' O ' ' HG3' ' A' 1255 ' ' GLU . 52.1 tt0 -69.51 -36.4 76.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.766 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1252 ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' 1274 ' ' PHE . . . -57.76 -47.53 82.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.969 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1253 ' ' ALA . . . . . 0.557 ' O ' HG21 ' A' 1257 ' ' VAL . . . -64.98 -40.26 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 0.0 110.223 175.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.4 m -55.59 -40.75 72.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.161 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' 1251 ' ' GLN . 36.0 mt-10 -67.64 -30.25 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.297 -178.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1256 ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' 1256 ' ' LEU . 9.4 mt -70.1 -37.21 75.32 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.658 0.266 . . . . 0.0 110.306 173.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1257 ' ' VAL . . . . . 0.557 HG21 ' O ' ' A' 1253 ' ' ALA . 21.9 t -61.99 -56.98 14.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.765 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -65.17 -30.98 71.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.337 -176.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1259 ' ' ALA . . . . . 0.437 ' HB3' HD23 ' A' 1267 ' ' LEU . . . -59.84 -31.53 69.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.905 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1260 ' ' SER . . . . . 0.542 ' HB2' ' HG3' ' A' 1332 ' ' LYS . 95.9 p -65.26 -27.53 68.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.874 0.368 . . . . 0.0 111.284 -176.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -101.17 11.91 38.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -119.92 -69.39 0.31 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.327 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 2.0 t -164.95 142.85 5.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.825 0.345 . . . . 0.0 111.082 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1264 ' ' PRO . . . . . 0.695 ' HA ' HD12 ' A' 1267 ' ' LEU . 54.2 Cg_exo -55.51 -24.66 45.38 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.203 2.602 . . . . 0.0 112.26 175.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -69.49 -30.6 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.458 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 26.1 t0 -80.42 -31.13 37.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.76 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' 1264 ' ' PRO . 79.2 mt -57.2 -35.71 69.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.35 172.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1268 ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' 1271 ' ' SER . . . -66.69 -48.57 68.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.624 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -57.92 -45.36 86.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.207 176.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.63 -35.53 80.83 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.137 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1271 ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' 1268 ' ' ALA . 36.0 m -57.39 -49.74 75.21 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.981 175.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -66.67 -41.78 93.69 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.331 -0.937 . . . . 0.0 111.656 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1273 ' ' ARG . . . . . 0.423 ' HG2' ' OE2' ' A' 1255 ' ' GLU . 15.7 tpp180 -59.83 -52.41 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.33 . . . . 0.0 111.021 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1274 ' ' PHE . . . . . 0.661 ' HA ' ' HB3' ' A' 1252 ' ' ALA . 74.3 t80 -58.24 -51.33 70.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.235 -176.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.5 -34.66 90.54 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.773 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.15 -52.34 19.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.778 0.323 . . . . 0.0 110.761 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -32.07 72.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.099 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.436 ' CE2' HG13 ' A' 1216 ' ' VAL . 76.7 t80 -60.63 -42.21 96.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.725 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 50.2 m -58.47 -40.41 82.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.835 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 41.6 m -69.1 -41.3 77.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1281 ' ' PHE . . . . . 0.466 ' HA ' ' HB2' ' A' 1245 ' ' ALA . 90.7 t80 -65.25 -45.86 82.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.192 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.696 HD22 ' HB2' ' A' 1219 ' ' ALA . 27.4 tp -63.44 -42.38 98.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.263 -175.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1283 ' ' GLU . . . . . 0.471 ' HG2' HD12 ' A' 1223 ' ' LEU . 43.2 mt-10 -61.82 -33.37 74.02 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.756 0.312 . . . . 0.0 111.03 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1284 ' ' ALA . . . . . 0.525 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -63.94 -41.57 97.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -64.91 -37.26 94.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.233 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.749 HG23 ' HB3' ' A' 1223 ' ' LEU . 56.4 t -65.61 -33.24 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.595 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1287 ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' A' 1291 ' ' GLN . 6.3 tp10 -58.08 -46.33 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.492 ' HE2' ' HB3' ' A' 1353 ' ' CYS . 57.1 mtp -64.19 -42.65 96.56 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.658 177.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -57.56 -33.4 68.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.32 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -76.85 -29.1 57.83 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.174 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' 1287 ' ' GLU . 15.4 mm100 -76.03 -16.42 59.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.763 0.316 . . . . 0.0 110.824 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1292 ' ' ALA . . . . . 0.448 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -60.92 136.02 93.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1293 ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 32.1 Cg_exo -58.89 -51.4 6.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.939 2.426 . . . . 0.0 112.705 -177.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 40.3 t -106.56 153.59 22.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -60.95 -28.23 68.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.972 174.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -69.14 -29.74 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.243 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -80.19 -35.83 35.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.542 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.454 ' O ' HG21 ' A' 1302 ' ' VAL . 38.5 ttp180 -54.46 -50.81 66.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.101 173.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.02 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.254 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -63.15 -45.42 91.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.729 0.299 . . . . 0.0 110.471 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.421 ' O ' ' HG ' ' A' 1305 ' ' LEU . 21.4 t -68.58 -40.74 82.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 110.414 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.528 ' HA ' HD12 ' A' 1305 ' ' LEU . 98.3 t -67.48 -35.07 72.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.737 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 6.1 p -69.38 -29.31 67.05 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.151 -0.343 . . . . 0.0 110.954 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -67.04 -44.14 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 172.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' 1302 ' ' VAL . 93.8 mt -59.4 -36.28 75.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -55.11 -42.51 73.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.774 -0.193 . . . . 0.0 111.083 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -58.39 -43.88 95.51 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.511 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.67 -36.28 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 122.685 -0.303 . . . . 0.0 110.506 -178.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 50.5 m -63.27 -51.35 66.48 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.761 0.315 . . . . 0.0 110.987 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.551 ' HB3' ' HE2' ' A' 1314 ' ' LYS . 44.1 mtt -60.46 -45.47 93.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.8 m -60.49 -37.15 80.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 63.9 m -61.99 -45.05 95.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.528 0.68 . . . . 0.0 110.157 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.49 ' O ' ' HG ' ' A' 1317 ' ' LEU . 43.4 t -59.26 -52.74 64.37 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.51 176.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.551 ' HE2' ' HB3' ' A' 1310 ' ' MET . 56.8 mttm -65.55 -30.91 71.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.624 -175.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1315 ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' 1339 ' ' ALA . 27.8 tp -64.84 -47.86 76.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.939 0.4 . . . . 0.0 110.392 174.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.645 ' O ' ' HG3' ' A' 1320 ' ' LYS . 77.5 mt -60.18 -35.32 75.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.636 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' 1313 ' ' SER . 93.3 mt -59.71 -40.5 88.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.729 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -68.77 -36.97 78.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.22 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.07 98.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.616 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1320 ' ' LYS . . . . . 0.778 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 44.6 mtpt -57.41 -50.54 72.67 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.236 0.541 . . . . 0.0 110.338 176.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.98 92.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.916 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.495 HD12 ' HE2' ' A' 1332 ' ' LYS . 26.7 tp -73.44 -32.99 64.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.225 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 43.6 m -71.19 -14.37 62.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.024 0.44 . . . . 0.0 110.659 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 9.5 p -115.83 2.2 13.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 30.4 t70 -155.54 63.91 3.8 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.342 0.591 . . . . 0.0 109.406 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -84.94 -3.85 9.73 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.892 2.395 . . . . 0.0 113.912 -169.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -91.33 3.23 55.4 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.931 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.6 m -98.83 106.35 36.85 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.715 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.37 -30.82 62.98 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.066 2.511 . . . . 0.0 112.375 -176.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -70.73 -27.51 64.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.776 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1331 ' ' LEU . . . . . 0.436 HD21 ' HA ' ' A' 1322 ' ' LEU . 17.1 tp -72.37 -27.77 62.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.126 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.542 ' HG3' ' HB2' ' A' 1260 ' ' SER . 1.1 mptm? -65.35 -44.91 86.2 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 171.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 14.3 m -58.55 -45.49 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.585 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -63.05 -45.36 92.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.031 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.14 -44.18 95.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.17 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.91 86.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.86 74.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.71 -42.61 90.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.261 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1339 ' ' ALA . . . . . 0.497 ' HA ' HD21 ' A' 1315 ' ' LEU . . . -65.05 -34.94 79.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.743 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -60.66 -43.08 98.06 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.793 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.11 -39.66 94.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.933 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.584 ' O ' HG13 ' A' 1346 ' ' ILE . 72.6 t -65.56 -52.74 47.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.559 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1343 ' ' THR . . . . . 0.465 ' HA ' HD12 ' A' 1346 ' ' ILE . 19.7 m -60.75 -40.77 93.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.722 -177.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.62 -40.2 96.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.58 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.2 m -71.65 -31.09 66.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.28 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' 1342 ' ' VAL . 81.8 mt -60.7 -53.43 49.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 121.254 0.55 . . . . 0.0 109.779 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -66.72 -39.43 87.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.635 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -56.83 -43.74 81.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.456 HD21 ' HG ' ' A' 1353 ' ' CYS . 3.3 tm? -58.33 -47.86 82.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.479 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.445 HD11 ' HB3' ' A' 1242 ' ' LEU . 35.3 mm -65.16 -48.55 83.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.003 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 36.1 m -56.28 -37.51 69.93 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.914 0.387 . . . . 0.0 111.252 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.1 tpt -79.94 -48.03 14.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.287 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.492 ' HB3' ' HE2' ' A' 1288 ' ' MET . 73.1 m . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.23 -33.94 77.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.522 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 18.6 m -75.75 -29.67 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.765 -178.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.37 -40.43 21.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.686 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.05 -37.11 86.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.306 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.19 79.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.486 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1213 ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' 1209 ' ' VAL . 16.0 mt -67.23 -37.7 84.0 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.923 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -62.34 -44.89 95.43 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -58.45 -55.48 34.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.085 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.494 HG11 ' CE2' ' A' 1278 ' ' PHE . 62.0 t -65.7 -47.77 84.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.388 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.58 -48.54 72.0 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.182 -0.533 . . . . 0.0 113.055 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1218 ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' A' 1222 ' ' ARG . 32.6 t70 -69.29 -33.98 74.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.935 0.368 . . . . 0.0 110.516 -177.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -62.84 -44.1 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1220 ' ' SER . . . . . 0.546 ' O ' HD23 ' A' 1224 ' ' LEU . 27.4 m -63.69 -25.6 68.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.995 0.426 . . . . 0.0 110.568 178.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1221 ' ' LYS . . . . . 0.469 ' HD3' ' HA ' ' A' 1218 ' ' ASP . 24.6 mtpp -78.8 -56.3 4.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.029 176.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1222 ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' 1218 ' ' ASP . 24.7 mmt180 -65.38 -48.45 72.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.235 0.54 . . . . 0.0 111.619 -175.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.684 ' HB3' HG21 ' A' 1286 ' ' VAL . 88.4 mt -79.69 4.85 14.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.329 -0.85 . . . . 0.0 113.289 -163.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1224 ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' 1220 ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 167.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 13.6 mm100 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 121.092 0.472 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.72 -47.04 85.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.985 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -70.02 -21.34 63.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.208 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -62.18 -45.31 93.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.719 -0.218 . . . . 0.0 110.813 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 7.2 m -60.92 -31.9 71.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.458 0.646 . . . . 0.0 110.298 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -80.14 -47.97 13.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.068 -175.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.49 ' HB3' HD11 ' A' 1350 ' ' ILE . 3.5 mm? -63.65 -32.77 74.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.185 177.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -57.98 -50.8 72.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.824 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -66.09 -44.18 85.15 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.714 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1245 ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -61.53 -46.18 91.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.855 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1246 ' ' ALA . . . . . 0.565 ' HB3' HD13 ' A' 1350 ' ' ILE . . . -62.96 -52.01 64.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.036 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.53 81.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.195 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.17 -43.25 95.76 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.25 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 28.8 tp -69.66 -31.48 69.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.748 0.309 . . . . 0.0 110.663 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -61.85 -43.3 99.12 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.029 0.443 . . . . 0.0 110.513 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -71.95 -35.08 69.49 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1252 ' ' ALA . . . . . 0.826 ' HB3' ' HA ' ' A' 1274 ' ' PHE . . . -60.6 -41.27 94.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.927 177.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1253 ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' 1257 ' ' VAL . . . -65.81 -38.69 89.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.18 0.514 . . . . 0.0 109.882 174.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.1 m -62.13 -35.12 77.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.746 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' 1252 ' ' ALA . 5.1 mm-40 -54.01 -48.64 70.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.7 175.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1256 ' ' LEU . . . . . 0.81 ' HB3' HD23 ' A' 1335 ' ' LEU . 59.4 mt -64.3 -40.63 96.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.786 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1257 ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' 1253 ' ' ALA . 92.1 t -59.87 -50.79 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 120.768 0.318 . . . . 0.0 111.796 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -68.37 -26.75 65.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.179 0.514 . . . . 0.0 110.685 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -79.62 -24.61 41.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.705 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1260 ' ' SER . . . . . 0.502 ' O ' HD23 ' A' 1322 ' ' LEU . 48.1 m -50.73 -25.24 4.11 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -172.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 70.4 mtt-85 -62.05 -27.88 69.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.89 0.376 . . . . 0.0 110.349 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 120.99 90.18 1.12 Allowed Glycine 0 CA--C 1.499 -0.909 0 CA-C-N 115.817 -0.628 . . . . 0.0 113.435 171.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1263 ' ' THR . . . . . 0.486 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 0.1 OUTLIER -153.77 119.05 2.78 Favored Pre-proline 0 N--CA 1.442 -0.851 0 CA-C-N 114.626 -0.787 . . . . 0.0 109.094 175.837 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1264 ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' 1263 ' ' THR . 31.2 Cg_exo -59.02 -45.04 30.42 Favored 'Trans proline' 0 CA--C 1.522 -0.091 0 C-N-CA 123.207 2.605 . . . . 0.0 112.874 -171.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -68.55 -33.02 73.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.079 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1266 ' ' ASP . . . . . 0.44 ' HB2' HG23 ' A' 1263 ' ' THR . 5.7 m-20 -72.64 -45.96 56.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.976 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 44.9 mt -65.83 -33.08 75.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.06 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.52 80.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.097 0.475 . . . . 0.0 110.713 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 36.8 ttp-105 -65.65 -42.22 91.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.324 0.583 . . . . 0.0 109.788 176.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.11 96.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.787 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 1.5 p -62.87 -40.31 97.11 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.791 0.329 . . . . 0.0 111.176 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -72.1 -34.41 61.56 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.962 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -69.47 -50.85 41.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.118 0.485 . . . . 0.0 110.363 176.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1274 ' ' PHE . . . . . 0.826 ' HA ' ' HB3' ' A' 1252 ' ' ALA . 59.3 t80 -60.21 -48.8 80.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.424 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -65.94 -30.13 76.44 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.765 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -77.37 -38.41 50.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.827 0.346 . . . . 0.0 111.233 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.33 -32.66 43.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.262 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.494 ' CE2' HG11 ' A' 1216 ' ' VAL . 71.8 t80 -58.59 -48.16 81.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.479 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1279 ' ' SER . . . . . 0.517 ' O ' ' HG3' ' A' 1283 ' ' GLU . 39.0 p -57.01 -47.41 80.92 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.51 -176.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 23.3 m -60.32 -40.91 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1281 ' ' PHE . . . . . 0.481 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 89.4 t80 -61.42 -48.02 83.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.601 178.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' 1286 ' ' VAL . 23.0 tp -70.5 -40.34 73.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.096 -176.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1283 ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' 1279 ' ' SER . 58.9 mt-10 -57.25 -47.7 80.73 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.047 0.451 . . . . 0.0 110.407 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -67.96 -32.89 73.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.016 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.03 -35.32 90.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.838 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.684 HG21 ' HB3' ' A' 1223 ' ' LEU . 43.5 t -67.03 -37.64 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 177.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -63.5 -42.8 98.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.702 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 3.6 ppp? -74.18 -26.11 60.09 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.777 178.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -69.77 -28.88 66.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.021 0.438 . . . . 0.0 109.998 174.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -77.0 -16.89 80.38 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.173 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.702 ' HG2' ' HA ' ' A' 1288 ' ' MET . 74.2 mm-40 -63.61 -31.48 72.65 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -76.77 116.74 59.51 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.482 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.7 7.89 4.93 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.821 2.347 . . . . 0.0 112.116 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 2.3 p -130.13 146.09 51.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.344 -177.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1295 ' ' GLN . . . . . 0.41 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 43.2 mt-30 -89.42 -15.36 33.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -168.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.88 -35.56 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 173.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.8 -43.46 83.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.477 170.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.546 ' O ' HG21 ' A' 1302 ' ' VAL . 69.3 ttt180 -53.42 -56.39 17.24 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.875 177.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.62 72.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.543 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -70.09 -35.46 74.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -176.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.458 HG22 ' SD ' ' A' 1288 ' ' MET . 14.3 p -80.89 -31.3 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.369 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' 1298 ' ' ARG . 73.9 t -63.59 -29.83 48.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.833 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 17.2 m -52.75 -47.55 67.36 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.746 174.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1304 ' ' ASN . . . . . 0.572 ' HB2' HD22 ' A' 1349 ' ' LEU . 17.1 m-80 -67.58 -40.17 84.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.922 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' 1302 ' ' VAL . 96.2 mt -60.26 -48.77 80.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -59.76 -48.19 82.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.564 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.25 -53.3 35.3 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.519 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1308 ' ' ILE . . . . . 0.439 ' HB ' ' HB2' ' A' 1345 ' ' SER . 0.0 OUTLIER -68.9 -39.79 80.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.763 -177.469 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1309 ' ' SER . . . . . 0.401 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 47.2 m -64.15 -46.56 83.56 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.732 0.301 . . . . 0.0 111.194 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.507 ' O ' ' HG3' ' A' 1314 ' ' LYS . 45.8 mtt -66.94 -46.33 75.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 69.5 m -61.12 -36.2 79.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.517 0.199 . . . . 0.0 110.995 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1312 ' ' SER . . . . . 0.4 ' HB3' ' CE2' ' A' 1274 ' ' PHE . 66.0 m -66.18 -40.55 90.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.333 0.587 . . . . 0.0 110.103 178.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.53 ' O ' ' HG ' ' A' 1317 ' ' LEU . 65.9 m -61.11 -48.42 81.73 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.363 175.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' 1310 ' ' MET . 61.2 mttm -61.86 -34.59 76.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.739 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1315 ' ' LEU . . . . . 0.409 ' HG ' HD12 ' A' 1256 ' ' LEU . 49.0 tp -64.23 -45.8 86.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.853 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' 1320 ' ' LYS . 83.5 mt -69.4 -33.89 73.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.238 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' 1313 ' ' SER . 97.7 mt -60.71 -41.7 95.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 110.173 176.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.72 82.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.53 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.6 98.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.471 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1320 ' ' LYS . . . . . 0.522 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 8.0 mtmp? -61.9 -47.8 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.24 0.543 . . . . 0.0 110.425 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1321 ' ' ALA . . . . . 0.43 ' C ' HD21 ' A' 1331 ' ' LEU . . . -60.68 -31.37 70.62 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.693 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' 1260 ' ' SER . 34.8 tp -82.26 -32.58 29.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.994 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 23.5 t -67.62 -29.05 68.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.159 0.504 . . . . 0.0 109.793 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 6.3 p -90.01 -40.94 12.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.987 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -122.59 83.07 47.89 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.765 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1326 ' ' PRO . . . . . 0.416 ' HA ' HD12 ' A' 1322 ' ' LEU . 76.1 Cg_endo -88.69 14.27 2.32 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 122.528 2.152 . . . . 0.0 112.635 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -104.61 -11.56 16.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 2.8 p -84.51 118.74 71.81 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 121.123 0.487 . . . . 0.0 111.197 -177.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.63 -41.53 46.69 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.111 2.541 . . . . 0.0 112.673 -175.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -69.5 -24.62 63.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.015 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1331 ' ' LEU . . . . . 0.43 HD21 ' C ' ' A' 1321 ' ' ALA . 12.0 tp -71.27 -35.53 71.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.18 -178.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.7 mptm? -55.34 -57.1 13.23 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.545 0.688 . . . . 0.0 110.198 173.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 26.2 m -71.18 -26.96 63.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.744 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -64.44 -43.15 95.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.183 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1335 ' ' LEU . . . . . 0.81 HD23 ' HB3' ' A' 1256 ' ' LEU . 7.0 tt -67.15 -46.38 74.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.766 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.17 76.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.368 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -71.46 -36.85 71.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.42 ' O ' HG22 ' A' 1342 ' ' VAL . . . -66.13 -40.81 90.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.674 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1339 ' ' ALA . . . . . 0.4 ' HA ' HD21 ' A' 1315 ' ' LEU . . . -64.79 -40.0 94.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.509 177.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -58.8 -39.05 79.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.136 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.29 85.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.624 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' 1346 ' ' ILE . 90.7 t -59.03 -52.36 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.78 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 83.3 m -56.28 -41.01 75.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 110.638 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.12 -44.76 95.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.106 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1345 ' ' SER . . . . . 0.439 ' HB2' ' HB ' ' A' 1308 ' ' ILE . 3.9 p -70.62 -31.75 68.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.395 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' 1342 ' ' VAL . 80.2 mt -59.44 -48.63 86.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.081 0.467 . . . . 0.0 109.751 174.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -58.26 -41.52 84.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.967 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -64.99 -37.58 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.496 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -67.39 -45.46 76.17 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.565 HD13 ' HB3' ' A' 1246 ' ' ALA . 42.8 mm -63.88 -41.89 94.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.397 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 41.3 m -62.73 -39.1 93.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.522 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.0 tpt -63.12 -37.3 86.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.963 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 23.8 t . . . . . 0 C--O 1.234 0.281 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.187 178.731 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1207 ' ' ARG . . . . . 0.4 ' HE ' ' HB3' ' A' 1207 ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -51.31 -43.65 61.73 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.191 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.733 ' O ' ' HG ' ' A' 1213 ' ' LEU . 41.2 t -62.71 -54.55 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.618 -177.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.78 -36.7 83.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.084 0.468 . . . . 0.0 110.846 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 38.4 t30 -64.74 -49.68 69.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.411 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.07 97.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.597 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1213 ' ' LEU . . . . . 0.733 ' HG ' ' O ' ' A' 1209 ' ' VAL . 11.6 mt -60.77 -43.34 98.16 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.065 0.459 . . . . 0.0 110.153 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -68.27 -45.87 71.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.419 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -53.24 -48.77 67.94 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.013 -175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.502 HG12 ' CE2' ' A' 1278 ' ' PHE . 70.7 t -58.41 -46.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.654 0.264 . . . . 0.0 111.542 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -74.03 -47.4 18.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.335 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.15 -46.61 86.39 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.228 0.211 . . . . 0.0 111.473 -176.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.84 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.546 0.212 . . . . 0.0 111.088 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 49.0 m -62.56 -43.75 98.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.953 0.406 . . . . 0.0 110.509 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -74.49 -35.54 63.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.316 -178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -77.5 -36.66 52.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.372 -0.376 . . . . 0.0 112.013 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1223 ' ' LEU . . . . . . . . . . . . . 86.9 mt -92.67 -59.35 2.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -173.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--N 1.33 -0.27 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -167.595 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 . . . . . 0 C--O 1.235 0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -67.7 -49.74 61.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.364 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.11 93.26 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.302 -175.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1239 ' ' GLN . . . . . 0.412 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 63.9 tt0 -59.26 -56.92 15.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.803 -176.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.9 p -67.18 -35.06 78.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.006 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -68.03 -45.09 74.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.858 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.507 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 61.6 tp -63.26 -44.43 95.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.841 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -63.18 -35.25 79.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.697 0.284 . . . . 0.0 111.617 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.68 -47.97 42.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.844 0.354 . . . . 0.0 110.31 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.49 98.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.196 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1246 ' ' ALA . . . . . 0.461 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -61.73 -46.05 91.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.337 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.14 -31.63 71.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.863 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.31 -42.82 56.38 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.546 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 37.9 tp -69.02 -34.62 75.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.483 0.182 . . . . 0.0 110.978 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -54.9 -46.75 74.87 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.961 0.41 . . . . 0.0 110.159 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1251 ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' 1254 ' ' THR . 24.1 tt0 -72.56 -32.29 65.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.335 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1252 ' ' ALA . . . . . 0.889 ' HB2' ' HA ' ' A' 1274 ' ' PHE . . . -61.3 -44.36 97.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.683 177.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -64.01 -39.09 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.97 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1254 ' ' THR . . . . . 0.5 ' O ' ' HG2' ' A' 1258 ' ' GLN . 92.9 m -57.94 -40.99 81.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.782 175.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.661 ' HG3' ' HG2' ' A' 1273 ' ' ARG . 5.5 mm-40 -56.91 -42.71 80.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.296 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1256 ' ' LEU . . . . . 0.432 ' HB3' HD23 ' A' 1335 ' ' LEU . 18.5 mt -65.47 -35.42 80.86 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.867 177.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 59.2 t -64.65 -47.05 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.086 0.469 . . . . 0.0 110.239 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1258 ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' 1254 ' ' THR . 14.9 mm100 -61.12 -41.36 96.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.176 178.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1259 ' ' ALA . . . . . 0.455 ' HA ' ' OD2' ' A' 1266 ' ' ASP . . . -74.77 -27.25 60.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.715 -177.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1260 ' ' SER . . . . . 0.488 ' HA ' HD23 ' A' 1322 ' ' LEU . 33.7 t -57.23 -34.9 69.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.399 0.618 . . . . 0.0 110.249 177.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -96.13 18.15 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.398 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -122.43 -122.61 2.82 Favored Glycine 0 N--CA 1.436 -1.363 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1263 ' ' THR . . . . . 0.438 ' HB ' ' HD2' ' A' 1264 ' ' PRO . 68.3 p -140.83 167.55 17.21 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.929 0.364 . . . . 0.0 111.295 -175.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1264 ' ' PRO . . . . . 0.468 ' HA ' ' HB2' ' A' 1267 ' ' LEU . 84.6 Cg_exo -51.83 -28.49 31.03 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.865 2.377 . . . . 0.0 112.972 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.34 -50.45 67.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.762 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1266 ' ' ASP . . . . . 0.455 ' OD2' ' HA ' ' A' 1259 ' ' ALA . 3.3 p-10 -79.54 -25.62 41.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.468 ' HB2' ' HA ' ' A' 1264 ' ' PRO . 21.2 mt -59.53 -37.31 78.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.494 170.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.48 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -51.41 -47.66 62.9 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.38 0.609 . . . . 0.0 110.361 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.1 90.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.247 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 15.5 m -65.22 -44.57 87.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.728 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -62.48 -40.79 99.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.714 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1273 ' ' ARG . . . . . 0.661 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 16.5 tpp180 -65.24 -48.02 74.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 110.469 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1274 ' ' PHE . . . . . 0.889 ' HA ' ' HB2' ' A' 1252 ' ' ALA . 51.2 t80 -63.05 -52.34 63.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.346 -176.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.29 -37.98 95.48 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.107 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.3 -52.73 17.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.689 0.28 . . . . 0.0 111.185 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.12 -29.8 69.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.527 ' CE2' HD13 ' A' 1282 ' ' LEU . 89.8 t80 -63.09 -43.46 98.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.541 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 22.7 m -62.2 -39.77 93.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.465 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 15.0 m -63.44 -39.46 94.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.317 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 83.5 t80 -63.41 -42.4 98.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.343 176.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.527 HD13 ' CE2' ' A' 1278 ' ' PHE . 24.1 mt -61.24 -45.01 96.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.01 -38.67 89.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.866 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -65.52 -36.38 83.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.33 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -63.52 -41.93 99.07 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.83 176.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1286 ' ' VAL . . . . . . . . . . . . . 98.5 t -62.65 -41.36 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.391 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -55.75 -46.39 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.626 177.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.612 ' O ' ' HG2' ' A' 1291 ' ' GLN . 7.9 ptm -78.86 -24.78 44.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.963 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -68.31 -26.69 65.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.93 0.395 . . . . 0.0 110.103 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -69.68 -34.27 72.46 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.763 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1291 ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' 1288 ' ' MET . 25.5 pt20 -77.96 -8.12 57.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.604 0.24 . . . . 0.0 110.854 -177.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1292 ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -62.89 117.37 31.74 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.744 -179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1293 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 15.4 Cg_exo -68.82 -56.77 0.15 Allowed 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 123.062 2.508 . . . . 0.0 111.971 -177.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 5.8 m -85.73 149.79 25.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.021 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -65.46 -34.18 77.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.66 -33.8 75.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.465 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.41 -43.65 73.0 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.444 ' O ' HG23 ' A' 1302 ' ' VAL . 38.7 ttp-105 -65.25 -33.59 76.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.185 177.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.63 79.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 176.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.42 -47.37 86.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.268 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.655 ' O ' ' HG ' ' A' 1305 ' ' LEU . 10.6 p -61.21 -40.36 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.564 -178.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.45 ' HA ' HD11 ' A' 1305 ' ' LEU . 71.8 t -64.07 -33.16 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-O 120.651 0.263 . . . . 0.0 110.87 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 54.8 m -58.91 -48.13 82.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.84 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1304 ' ' ASN . . . . . 0.636 ' HB2' HD22 ' A' 1349 ' ' LEU . 39.2 m-80 -64.75 -38.83 92.33 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.146 0.498 . . . . 0.0 109.955 177.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' 1301 ' ' VAL . 93.5 mt -62.4 -39.11 92.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.741 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -70.57 -36.55 73.67 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 120.646 -0.422 . . . . 0.0 109.917 174.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.85 77.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.001 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -37.85 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 122.807 -0.231 . . . . 0.0 110.389 178.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 40.0 t -61.19 -49.39 77.37 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 110.596 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1310 ' ' MET . . . . . 0.713 ' O ' ' HG2' ' A' 1314 ' ' LYS . 62.9 mtp -57.33 -51.19 70.39 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.54 178.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 23.3 m -55.79 -39.89 71.91 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.388 0.43 . . . . 0.0 110.66 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1312 ' ' SER . . . . . 0.423 ' HB3' ' CE2' ' A' 1274 ' ' PHE . 49.5 m -66.52 -40.68 89.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.476 0.655 . . . . 0.0 109.932 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.505 ' O ' ' HG ' ' A' 1317 ' ' LEU . 50.7 m -61.62 -48.05 82.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.537 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.713 ' HG2' ' O ' ' A' 1310 ' ' MET . 65.0 mmtt -63.18 -38.49 91.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.175 0.512 . . . . 0.0 110.018 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1315 ' ' LEU . . . . . 0.607 HD22 ' HA ' ' A' 1339 ' ' ALA . 40.7 tp -60.16 -44.29 95.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.945 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1316 ' ' LEU . . . . . 0.683 ' HB3' HD22 ' A' 1213 ' ' LEU . 49.9 mt -73.0 -26.75 61.44 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -178.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' 1313 ' ' SER . 90.6 mt -64.49 -34.78 79.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.081 0.467 . . . . 0.0 109.896 174.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.25 -41.58 76.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.849 174.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.92 82.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.965 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -56.93 -48.97 77.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.129 0.49 . . . . 0.0 110.237 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.93 68.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.871 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.499 HD11 ' HE2' ' A' 1332 ' ' LYS . 29.2 tp -75.64 -32.17 60.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.511 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 12.6 p -78.79 -12.97 60.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 1.3 p -100.26 -34.02 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.695 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -131.45 82.71 61.1 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.271 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -81.41 -1.05 10.85 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.469 2.112 . . . . 0.0 112.583 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -96.52 -0.28 49.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.392 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1328 ' ' SER . . . . . 0.486 ' CB ' HD12 ' A' 1331 ' ' LEU . 55.6 m -93.72 109.14 39.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.57 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1329 ' ' PRO . . . . . 0.548 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 33.8 Cg_endo -64.85 -29.2 58.68 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.845 2.363 . . . . 0.0 112.51 -176.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -62.67 -32.78 73.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.707 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1331 ' ' LEU . . . . . 0.486 HD12 ' CB ' ' A' 1328 ' ' SER . 10.7 mp -70.39 -26.96 63.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.19 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.548 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 0.8 OUTLIER -64.8 -43.1 94.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.003 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 16.1 m -70.52 -41.02 73.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.312 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1334 ' ' GLN . . . . . 0.407 ' HB3' ' HA ' ' A' 1331 ' ' LEU . 7.9 tt0 -53.58 -48.08 69.54 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.727 177.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1335 ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' 1260 ' ' SER . 9.8 tt -68.81 -47.48 65.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.495 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1336 ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -55.98 -40.61 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.705 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.35 91.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.899 0.38 . . . . 0.0 110.969 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' 1342 ' ' VAL . . . -72.06 -36.31 69.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.711 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1339 ' ' ALA . . . . . 0.607 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.45 -39.8 92.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1340 ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' 1336 ' ' ALA . 30.2 mmt180 -71.59 -32.17 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.201 178.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.7 87.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.407 176.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' 1346 ' ' ILE . 98.0 t -58.52 -52.3 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.122 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1343 ' ' THR . . . . . 0.594 ' HA ' HD11 ' A' 1346 ' ' ILE . 17.4 m -60.29 -36.29 77.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.76 -177.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.88 -46.35 88.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.135 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.8 m -69.04 -27.13 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.494 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' 1342 ' ' VAL . 85.8 mt -62.88 -54.99 26.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.58 0.229 . . . . 0.0 110.679 178.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 13.1 p30 -68.48 -28.44 67.03 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.494 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -59.7 -38.05 80.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.404 176.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.636 HD22 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -75.73 -37.53 59.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.507 ' CD1' ' HG ' ' A' 1242 ' ' LEU . 49.3 mm -60.21 -38.13 76.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.601 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 85.5 m -59.75 -31.45 69.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.891 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 25.0 mmt -76.4 -28.2 56.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 45.7 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.208 0.528 . . . . 0.0 110.019 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 120.882 0.372 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1208 ' ' ASP . . . . . 0.595 ' OD2' ' HA ' ' A' 1268 ' ' ALA . 0.8 OUTLIER -50.6 -41.88 55.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.185 178.794 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1209 ' ' VAL . . . . . 0.472 HG13 ' OD2' ' A' 1208 ' ' ASP . 36.0 m -78.41 -29.91 15.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.202 -174.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.61 -38.98 20.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 111.017 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 52.3 t30 -64.9 -32.93 74.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.186 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.71 86.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.103 173.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.91 -39.92 96.0 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.363 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -63.07 -44.65 95.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.47 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -61.27 -48.91 79.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.78 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1216 ' ' VAL . . . . . 0.585 HG13 ' CE2' ' A' 1278 ' ' PHE . 94.5 t -62.36 -44.64 99.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.846 178.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1217 ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -64.09 -46.4 91.28 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.367 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.53 -31.05 71.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.743 0.306 . . . . 0.0 111.168 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1219 ' ' ALA . . . . . 0.422 ' HB2' HD22 ' A' 1282 ' ' LEU . . . -66.79 -40.35 88.09 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1220 ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' 1224 ' ' LEU . 27.6 m -66.05 -30.87 71.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.347 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1221 ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' 1217 ' ' GLY . 63.6 mttp -68.44 -54.35 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.992 0.425 . . . . 0.0 110.75 177.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -68.92 -39.96 79.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.813 -175.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1223 ' ' LEU . . . . . 0.75 ' HB3' HG13 ' A' 1286 ' ' VAL . 29.9 mt -101.66 -46.65 4.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -166.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1224 ' ' LEU . . . . . 0.556 ' HB2' ' O ' ' A' 1220 ' ' SER . 3.4 mm? . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.154 0.502 . . . . 0.0 111.843 -172.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.692 0.282 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.04 -44.28 97.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.374 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.98 95.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.673 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -63.22 -42.62 99.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.695 177.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 43.2 t -59.5 -42.97 93.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.094 0.473 . . . . 0.0 110.285 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.23 -40.92 98.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.908 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1242 ' ' LEU . . . . . 0.504 ' HB3' HD12 ' A' 1350 ' ' ILE . 9.1 mt -62.83 -43.01 99.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.909 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -57.58 -34.42 69.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.185 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -77.47 -51.67 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.64 93.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.901 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1246 ' ' ALA . . . . . 0.597 ' HB1' HD11 ' A' 1350 ' ' ILE . . . -59.76 -49.84 76.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.993 -178.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.28 79.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.248 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.79 -45.17 59.41 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.341 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 37.5 tp -66.64 -33.67 76.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.589 0.233 . . . . 0.0 110.807 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -57.05 -43.96 82.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.301 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1251 ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' A' 1255 ' ' GLU . 48.5 tt0 -72.76 -32.15 65.43 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.422 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.86 77.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.953 0.406 . . . . 0.0 110.418 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -67.87 -39.12 83.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.096 0.474 . . . . 0.0 110.162 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 29.1 m -62.56 -34.85 77.77 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.693 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1255 ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' 1251 ' ' GLN . 33.7 mm-40 -57.2 -47.63 80.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.291 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1256 ' ' LEU . . . . . 0.651 ' HB3' HD23 ' A' 1335 ' ' LEU . 36.1 mt -60.93 -40.51 93.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.742 177.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 58.3 t -58.26 -51.39 71.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.691 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.04 -49.9 75.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.702 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.46 80.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.461 -175.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1260 ' ' SER . . . . . 0.449 ' HB3' HD13 ' A' 1335 ' ' LEU . 96.9 p -60.65 -31.98 71.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.003 0.43 . . . . 0.0 111.378 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -101.66 9.28 41.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.633 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -116.0 -71.49 0.48 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.212 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 1.9 t -159.45 138.49 8.07 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.954 0.407 . . . . 0.0 111.177 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1264 ' ' PRO . . . . . 0.694 ' HA ' HD13 ' A' 1267 ' ' LEU . 52.8 Cg_exo -55.9 -26.0 55.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.459 2.773 . . . . 0.0 112.454 175.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -70.77 -28.68 64.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.526 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -80.73 -34.15 34.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1267 ' ' LEU . . . . . 0.694 HD13 ' HA ' ' A' 1264 ' ' PRO . 49.3 mt -56.64 -34.73 67.58 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.783 174.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1268 ' ' ALA . . . . . 0.595 ' HA ' ' OD2' ' A' 1208 ' ' ASP . . . -56.35 -45.94 80.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.261 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -70.71 -41.54 71.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.922 0.391 . . . . 0.0 110.218 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.44 92.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.88 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 51.4 m -60.66 -49.5 77.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.24 176.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.76 -34.94 91.29 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.078 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -71.18 -55.91 7.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1274 ' ' PHE . . . . . 0.469 ' HZ ' HG13 ' A' 1342 ' ' VAL . 76.1 t80 -54.76 -48.59 72.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.633 -174.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -61.77 -44.37 97.97 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.919 -177.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -77.1 -39.97 47.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.794 0.33 . . . . 0.0 110.891 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 4.8 t70 -63.08 -38.82 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.23 0.538 . . . . 0.0 109.725 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1278 ' ' PHE . . . . . 0.585 ' CE2' HG13 ' A' 1216 ' ' VAL . 57.5 t80 -57.09 -43.21 82.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.937 176.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 49.9 m -59.85 -41.13 90.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.065 0.459 . . . . 0.0 110.239 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 2.2 m -68.29 -31.87 71.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.864 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 49.5 t80 -73.81 -47.0 41.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.534 177.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1282 ' ' LEU . . . . . 0.438 HD22 HD13 ' A' 1223 ' ' LEU . 29.2 tp -61.56 -40.86 96.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.179 -175.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1283 ' ' GLU . . . . . 0.473 ' HG2' HD12 ' A' 1223 ' ' LEU . 41.6 mt-10 -63.24 -27.96 69.71 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.698 0.285 . . . . 0.0 111.57 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -74.38 -42.67 58.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.882 0.372 . . . . 0.0 110.131 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -66.02 -45.25 88.79 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.568 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1286 ' ' VAL . . . . . 0.75 HG13 ' HB3' ' A' 1223 ' ' LEU . 18.3 m -67.8 -26.71 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 122.644 -0.327 . . . . 0.0 111.126 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.31 -52.97 50.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.12 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1288 ' ' MET . . . . . 0.418 ' HE2' ' HB3' ' A' 1353 ' ' CYS . 22.1 ptm -70.93 -24.97 62.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 178.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1289 ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' 1298 ' ' ARG . . . -59.34 -35.63 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.162 0.506 . . . . 0.0 109.93 171.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -76.38 -31.73 53.73 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.692 174.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1291 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -83.97 15.87 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.374 0.27 . . . . 0.0 110.823 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1292 ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -59.1 144.6 82.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.778 -176.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1293 ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 24.1 Cg_exo -64.48 -33.33 57.54 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.844 2.363 . . . . 0.0 112.424 177.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 53.2 p -146.69 165.79 28.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 111.301 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -66.4 -40.29 89.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.28 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.48 -34.12 77.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.394 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.98 -43.69 82.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.954 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1298 ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' 1289 ' ' ALA . 49.0 ttp180 -59.33 -48.82 80.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.548 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.82 76.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.85 -51.85 36.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1301 ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' 1305 ' ' LEU . 12.4 p -62.7 -36.64 76.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.185 -177.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1302 ' ' VAL . . . . . 0.513 ' HA ' HD13 ' A' 1305 ' ' LEU . 77.0 t -63.97 -38.69 83.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.497 176.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 40.1 m -63.71 -38.68 92.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.608 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1304 ' ' ASN . . . . . 0.55 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 47.5 m-20 -61.43 -43.06 99.53 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1305 ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' 1301 ' ' VAL . 92.7 mt -60.45 -39.88 89.15 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.896 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -64.71 -42.79 95.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.785 0.326 . . . . 0.0 110.212 175.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.82 -42.49 91.9 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.466 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -37.61 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 122.736 -0.273 . . . . 0.0 111.037 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 34.1 p -66.11 -48.21 71.61 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.794 0.33 . . . . 0.0 111.164 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1310 ' ' MET . . . . . . . . . . . . . 93.3 mmm -63.89 -39.49 94.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.765 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 69.6 m -63.51 -39.3 94.07 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.729 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 49.6 m -63.16 -40.57 97.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.504 0.668 . . . . 0.0 109.6 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1313 ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' 1317 ' ' LEU . 60.1 m -60.68 -50.5 73.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.683 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1314 ' ' LYS . . . . . 0.41 ' HA ' HD12 ' A' 1317 ' ' LEU . 57.8 mttm -63.54 -34.58 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.139 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1315 ' ' LEU . . . . . 0.584 HD22 ' HA ' ' A' 1339 ' ' ALA . 38.0 tp -63.57 -49.32 73.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1316 ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.97 -26.92 67.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.24 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1317 ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' 1313 ' ' SER . 90.4 mt -64.67 -34.86 79.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 0.0 110.263 175.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.57 -37.75 73.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.954 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.48 87.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.976 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1320 ' ' LYS . . . . . 0.438 ' HA ' HG21 ' A' 1209 ' ' VAL . 39.6 ttmt -63.28 -50.65 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.166 0.507 . . . . 0.0 110.584 177.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.41 83.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.872 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1322 ' ' LEU . . . . . 0.401 ' CD2' ' HB2' ' A' 1260 ' ' SER . 35.1 tp -77.93 -19.37 54.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.719 -177.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 8.6 p -85.12 -27.88 25.94 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.754 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 8.6 t -89.64 -30.75 17.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.811 0.338 . . . . 0.0 110.316 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -124.59 77.23 63.59 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.871 0.367 . . . . 0.0 110.245 173.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -79.38 -2.76 12.54 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.433 2.088 . . . . 0.0 113.054 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -93.16 -6.29 48.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.389 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 35.7 t -83.93 111.23 31.22 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1329 ' ' PRO . . . . . 0.548 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 37.4 Cg_endo -66.45 -28.2 46.28 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.927 2.418 . . . . 0.0 112.418 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 17.6 m120 -62.94 -35.88 81.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.255 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.09 -26.67 63.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.707 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1332 ' ' LYS . . . . . 0.548 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 0.6 OUTLIER -64.97 -48.09 75.27 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 4.3 m -64.24 -43.34 95.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.3 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.11 -50.16 74.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.018 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1335 ' ' LEU . . . . . 0.651 HD23 ' HB3' ' A' 1256 ' ' LEU . 8.6 tt -63.72 -48.87 75.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.455 -178.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -60.48 -34.55 74.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.441 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -71.53 -47.95 51.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.756 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1338 ' ' ALA . . . . . 0.44 ' O ' HG21 ' A' 1342 ' ' VAL . . . -62.11 -38.55 89.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1339 ' ' ALA . . . . . 0.584 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -60.17 -43.02 96.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.005 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1340 ' ' ARG . . . . . 0.479 ' HD3' ' HA ' ' A' 1340 ' ' ARG . 25.1 mmt180 -71.45 -27.96 63.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.15 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.97 -42.45 85.14 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 173.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1342 ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' 1346 ' ' ILE . 97.1 t -60.76 -48.68 87.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.885 174.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 33.5 m -52.75 -49.3 65.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.5 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1344 ' ' ASP . . . . . 0.563 ' O ' ' HG2' ' A' 1348 ' ' GLN . 26.5 t70 -63.14 -45.0 94.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.791 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 19.4 m -58.61 -38.27 77.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1346 ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' 1342 ' ' VAL . 88.5 mt -60.73 -49.27 85.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.085 175.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -61.67 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1348 ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' 1344 ' ' ASP . 79.8 mm-40 -60.75 -35.72 77.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.743 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.525 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.2 tm? -63.43 -51.28 66.41 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1350 ' ' ILE . . . . . 0.597 HD11 ' HB1' ' A' 1246 ' ' ALA . 34.8 mm -61.39 -32.63 53.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.747 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 55.3 m -57.92 -54.96 41.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -28.85 69.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.3 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1353 ' ' CYS . . . . . 0.418 ' HB3' ' HE2' ' A' 1288 ' ' MET . 61.3 m . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.546 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1201 ' ' ILE . . . . . 0.613 HD13 ' H ' ' A' 1201 ' ' ILE . 0.2 OUTLIER -110.59 175.74 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.87 113.54 16.84 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 0.0 110.337 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -92.5 147.3 2.8 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.921 2.414 . . . . 0.0 113.368 -175.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1204 ' ' PHE . . . . . 0.401 ' C ' ' HG1' ' A' 1205 ' ' THR . 97.7 m-85 52.75 76.71 0.18 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.687 173.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1205 ' ' THR . . . . . 0.411 ' HA ' ' HB3' ' A' 1268 ' ' ALA . 29.2 m -152.42 -38.65 0.11 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.774 174.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.487 ' O ' HG23 ' A' 1209 ' ' VAL . 29.5 mm-40 -109.57 -29.14 8.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.236 176.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -59.03 -47.22 85.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.033 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.11 -33.57 74.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.388 -175.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.995 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 21.1 m -77.48 -28.68 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.118 -175.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -82.81 -40.33 20.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.451 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.83 -32.67 72.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -64.22 -46.15 85.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.468 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 42.1 mt -64.63 -35.15 80.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.46 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -57.48 -52.37 65.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.982 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.78 -55.57 12.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.559 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.439 HG11 ' CE2' ' A' 1278 ' ' PHE . 88.6 t -59.5 -47.36 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 111.06 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -61.0 -49.98 72.62 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.477 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -61.63 -45.45 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.735 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.35 86.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.887 0.375 . . . . 0.0 110.274 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1220 ' ' SER . . . . . 0.408 ' HA ' HD21 ' A' 1282 ' ' LEU . 19.6 t -63.28 -38.71 92.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 14.1 mptt -77.98 -43.65 29.0 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1222 ' ' ARG . . . . . 0.533 ' O ' ' HB3' ' A' 1227 ' ' LEU . 55.9 mtp180 -78.53 -24.38 45.73 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -174.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.72 ' HB3' HG23 ' A' 1286 ' ' VAL . 97.1 mt -97.79 -38.02 9.63 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.875 -176.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1224 ' ' LEU . . . . . 0.412 HD23 HG13 ' A' 1302 ' ' VAL . 82.8 mt -86.24 0.12 54.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.149 0.5 . . . . 0.0 110.514 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 45.7 m -154.0 144.69 22.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.218 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 18.8 t70 73.83 -69.59 0.18 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 175.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1227 ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' A' 1222 ' ' ARG . 8.8 tt -97.93 135.16 40.06 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.104 0.478 . . . . 0.0 110.533 -173.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1228 ' ' LEU . . . . . 0.441 HD11 ' NH2' ' A' 1298 ' ' ARG . 82.2 mt -133.06 133.91 23.71 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.582 176.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1229 ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' 1228 ' ' LEU . 22.6 Cg_exo -64.81 112.42 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.463 2.109 . . . . 0.0 111.614 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -83.1 23.05 0.85 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.178 2.585 . . . . 0.0 112.285 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 7.2 m -63.39 116.49 5.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.309 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 11.5 t -113.56 140.75 47.9 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 164.11 -126.5 1.52 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.64 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 33.4 p -98.71 133.61 42.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.052 0.453 . . . . 0.0 110.889 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 68.1 t80 -67.36 -36.16 80.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.355 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -66.99 -23.55 65.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.372 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -67.41 -51.3 53.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.061 0.458 . . . . 0.0 109.907 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.34 80.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.178 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -57.16 -52.54 64.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.323 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1240 ' ' SER . . . . . 0.503 ' O ' ' HG3' ' A' 1244 ' ' GLU . 42.0 m -65.03 -40.22 94.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.652 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1241 ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' 1241 ' ' ARG . 19.6 ttp180 -63.25 -36.5 83.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.553 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 19.3 tp -65.52 -46.39 79.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.821 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -57.68 -45.13 86.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.692 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1244 ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' 1240 ' ' SER . 32.2 mt-10 -63.13 -40.85 98.81 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.253 0.549 . . . . 0.0 110.485 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.47 82.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.666 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.09 94.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.838 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.59 -35.33 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.309 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -74.49 -42.35 33.78 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.231 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.2 -31.82 72.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.799 0.333 . . . . 0.0 110.602 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -57.7 -39.46 77.26 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1251 ' ' GLN . . . . . 0.491 ' O ' ' HG3' ' A' 1255 ' ' GLU . 23.0 tt0 -76.31 -34.21 59.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.227 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.16 86.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.765 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.4 -38.38 87.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.267 0.556 . . . . 0.0 109.998 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 92.5 m -62.71 -36.46 83.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.846 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' 1251 ' ' GLN . 47.6 mt-10 -63.28 -40.26 96.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.948 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1256 ' ' LEU . . . . . 0.588 ' HB3' HD23 ' A' 1335 ' ' LEU . 35.2 mt -62.86 -36.87 84.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.757 0.313 . . . . 0.0 110.312 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 76.8 t -64.25 -52.0 61.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.057 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1258 ' ' GLN . . . . . 0.482 ' HG2' ' HA ' ' A' 1255 ' ' GLU . 4.6 pt20 -67.16 -36.49 81.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.973 0.416 . . . . 0.0 110.901 -177.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.03 62.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.702 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1260 ' ' SER . . . . . 0.439 ' HA ' HD22 ' A' 1267 ' ' LEU . 73.2 p -64.17 -24.33 67.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.064 0.459 . . . . 0.0 110.809 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -104.32 18.99 21.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.36 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.46 -91.15 0.97 Allowed Glycine 0 N--CA 1.44 -1.062 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 29.8 p -143.04 153.69 60.67 Favored Pre-proline 0 C--O 1.234 0.279 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1264 ' ' PRO . . . . . 0.539 ' HA ' HD13 ' A' 1267 ' ' LEU . 41.7 Cg_exo -60.04 -23.94 74.89 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.831 2.354 . . . . 0.0 111.986 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -74.28 -30.49 62.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -73.12 -40.75 64.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.539 HD13 ' HA ' ' A' 1264 ' ' PRO . 82.0 mt -55.47 -35.58 65.66 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.74 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1268 ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' 1205 ' ' THR . . . -58.03 -56.32 23.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.145 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -67.63 -32.32 72.94 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.809 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.04 97.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.861 174.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1271 ' ' SER . . . . . 0.552 ' OG ' ' HA ' ' A' 1209 ' ' VAL . 9.0 t -65.94 -45.73 80.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.458 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -60.54 -40.03 97.23 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.511 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -76.24 -44.67 36.38 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.755 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 72.3 t80 -53.39 -49.69 66.7 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 123.33 0.394 . . . . 0.0 111.045 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -65.04 -40.12 96.83 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -71.83 -46.01 59.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.549 0.214 . . . . 0.0 111.296 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.14 -31.28 69.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.437 . . . . 0.0 110.241 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.439 ' CE2' HG11 ' A' 1216 ' ' VAL . 81.2 t80 -56.29 -37.85 70.44 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.849 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 23.0 t -57.7 -51.4 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.036 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 32.0 m -59.13 -39.59 82.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.81 -51.4 67.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.668 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.575 ' O ' HG22 ' A' 1286 ' ' VAL . 26.4 tp -67.47 -41.89 83.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.162 -175.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.4 -32.59 70.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.64 0.257 . . . . 0.0 111.208 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -77.77 -42.13 35.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.881 0.372 . . . . 0.0 110.524 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.76 93.18 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.778 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.72 HG23 ' HB3' ' A' 1223 ' ' LEU . 24.4 t -67.49 -30.77 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 110.459 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.61 -50.86 69.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.703 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.536 ' HE3' ' HB2' ' A' 1353 ' ' CYS . 24.8 ptm -71.01 -28.39 64.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.606 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.06 82.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.009 0.433 . . . . 0.0 110.434 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -75.33 -10.81 84.46 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.363 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1291 ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -95.77 -2.0 48.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.63 -0.335 . . . . 0.0 110.819 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1292 ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -65.61 121.07 73.36 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.359 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1293 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 22.6 Cg_exo -65.67 -41.9 13.54 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 123.211 2.607 . . . . 0.0 112.888 -175.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 22.0 m -94.48 127.92 40.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1295 ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 11.1 pt20 -66.62 -26.36 67.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.571 0.224 . . . . 0.0 110.966 -177.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.55 -43.65 96.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.308 0.575 . . . . 0.0 109.568 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 35.9 t70 -73.47 -38.79 65.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.049 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.481 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 56.6 ttt180 -58.31 -48.87 79.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.042 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -65.68 -33.26 75.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.07 0.462 . . . . 0.0 110.449 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.05 -50.56 65.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.017 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.545 ' O ' ' HG ' ' A' 1305 ' ' LEU . 11.5 p -63.78 -33.66 63.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.783 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' 1298 ' ' ARG . 73.5 t -65.2 -37.4 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 110.633 175.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 36.9 m -61.85 -40.73 96.35 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.0 0.428 . . . . 0.0 110.231 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1304 ' ' ASN . . . . . 0.533 ' HB2' HD21 ' A' 1349 ' ' LEU . 29.5 m-20 -64.76 -42.8 94.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.929 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.5 mt -60.17 -39.42 86.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.432 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -61.98 -41.58 98.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.464 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.61 -46.91 65.34 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.415 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1308 ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' 1308 ' ' ILE . 0.0 OUTLIER -77.29 -34.27 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.403 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 62.7 m -62.89 -43.88 97.61 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.113 0.482 . . . . 0.0 110.969 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.658 ' HB3' ' HE2' ' A' 1314 ' ' LYS . 0.1 OUTLIER -68.55 -49.36 60.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.847 177.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.7 m -59.12 -39.13 81.37 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 12.4 p -67.22 -40.08 86.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.32 0.581 . . . . 0.0 110.084 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1313 ' ' SER . . . . . . . . . . . . . 49.7 m -61.8 -46.6 88.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.574 175.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.658 ' HE2' ' HB3' ' A' 1310 ' ' MET . 60.4 mttm -64.35 -33.74 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.863 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1315 ' ' LEU . . . . . 0.632 HD21 ' HA ' ' A' 1339 ' ' ALA . 26.2 tp -65.02 -46.96 79.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.587 ' O ' ' HG3' ' A' 1320 ' ' LYS . 79.3 mt -57.91 -38.89 76.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.387 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1317 ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.11 -34.72 72.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.171 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.57 70.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.554 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.26 87.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.127 0.489 . . . . 0.0 110.596 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1320 ' ' LYS . . . . . 0.995 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 8.0 mtpm? -58.98 -48.27 82.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.566 177.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -63.64 -33.11 74.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.577 HD11 ' HZ2' ' A' 1332 ' ' LYS . 28.4 tp -74.57 -16.7 60.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.417 . . . . 0.0 110.937 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 25.3 m -79.22 -30.29 43.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.028 0.442 . . . . 0.0 110.247 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 7.0 p -91.84 -26.7 18.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.63 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -121.66 72.74 31.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.065 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -82.46 -9.04 11.45 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.743 2.295 . . . . 0.0 112.326 -175.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1327 ' ' ALA . . . . . 0.559 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -97.19 2.34 50.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 -177.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 14.5 m -93.07 101.21 5.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.289 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1329 ' ' PRO . . . . . 0.559 ' HD3' ' O ' ' A' 1327 ' ' ALA . 18.1 Cg_exo -66.58 -32.47 38.81 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.001 2.468 . . . . 0.0 112.777 -175.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 8.8 t30 -66.77 -31.08 71.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.639 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1331 ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' 1322 ' ' LEU . 21.0 tp -68.75 -25.01 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.724 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.577 ' HZ2' HD11 ' A' 1322 ' ' LEU . 3.7 mptp? -63.71 -45.38 90.23 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.227 0.537 . . . . 0.0 109.606 174.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 22.3 m -68.73 -35.43 77.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.263 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -65.39 -39.47 92.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 0.0 109.944 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1335 ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' 1256 ' ' LEU . 8.2 tt -63.38 -48.74 76.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.718 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.5 -37.8 76.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.54 83.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.985 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.466 ' O ' HG21 ' A' 1342 ' ' VAL . . . -66.55 -38.76 87.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1339 ' ' ALA . . . . . 0.632 ' HA ' HD21 ' A' 1315 ' ' LEU . . . -63.83 -38.35 90.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.173 0.511 . . . . 0.0 110.457 177.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -37.66 88.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.059 176.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.17 84.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.79 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' 1346 ' ' ILE . 96.4 t -58.71 -51.47 71.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.939 0.399 . . . . 0.0 110.363 177.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 23.4 m -60.0 -37.07 78.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.702 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.88 -47.38 83.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.774 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 45.7 m -65.23 -37.8 88.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' 1342 ' ' VAL . 91.2 mt -58.25 -54.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.007 0.432 . . . . 0.0 109.912 176.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -62.41 -33.59 75.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.261 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.67 -47.27 86.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.452 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' 1304 ' ' ASN . 2.7 tm? -71.27 -37.7 71.89 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' 1346 ' ' ILE . 33.0 mm -65.71 -36.67 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.171 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 41.5 m -66.59 -34.66 78.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.934 0.397 . . . . 0.0 110.42 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 64.3 mtt -80.31 -27.87 38.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.807 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.536 ' HB2' ' HE3' ' A' 1288 ' ' MET . 13.0 p -67.83 -27.62 66.87 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.1 0.476 . . . . 0.0 109.883 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 18.1 p -92.18 162.95 14.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.777 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -67.3 106.22 1.99 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.579 0.704 . . . . 0.0 109.71 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -84.34 118.23 24.09 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.576 -172.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.89 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.215 176.304 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 49.0 mm 69.47 103.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 123.082 0.553 . . . . 0.0 111.485 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 14.2 t70 72.87 115.51 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.413 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.858 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -80.68 6.46 5.46 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 123.0 2.466 . . . . 0.0 113.285 -176.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 96.7 m-85 66.22 1.66 2.07 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.16 0.584 . . . . 0.0 112.003 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1205 ' ' THR . . . . . . . . . . . . . 90.2 m -65.7 -43.11 90.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.252 0.548 . . . . 0.0 111.222 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.436 ' O ' HG22 ' A' 1209 ' ' VAL . 71.1 mt-30 -74.94 -28.17 60.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -75.75 -21.97 56.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.855 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.4 -42.38 77.86 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.632 0.253 . . . . 0.0 111.667 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.527 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 34.3 m -71.25 -22.57 22.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.919 0.39 . . . . 0.0 110.697 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -80.82 -48.59 12.22 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.053 0.454 . . . . 0.0 110.064 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 39.6 t30 -62.15 -37.22 84.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.075 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -56.21 -36.52 68.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.317 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1213 ' ' LEU . . . . . 0.542 HD13 ' HD2' ' A' 1320 ' ' LYS . 38.7 mt -66.49 -36.3 82.39 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.089 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -60.41 -38.08 82.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.41 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1215 ' ' ALA . . . . . 0.403 ' HB1' ' OG ' ' A' 1279 ' ' SER . . . -69.88 -44.85 68.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.104 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.539 HG13 ' CE2' ' A' 1278 ' ' PHE . 67.7 t -70.51 -47.54 64.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.574 -177.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -65.4 -47.47 78.77 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.089 -0.576 . . . . 0.0 112.799 -176.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1218 ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' 1222 ' ' ARG . 31.3 t70 -65.49 -35.46 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.191 -0.203 . . . . 0.0 111.011 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.67 84.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.991 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 33.8 m -62.53 -42.02 99.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.214 0.53 . . . . 0.0 110.495 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -66.67 -40.15 88.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.19 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1222 ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' 1218 ' ' ASP . 0.2 OUTLIER -73.57 -47.52 39.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.094 -175.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.752 HD21 ' HG3' ' A' 1229 ' ' PRO . 62.8 mt -84.44 -25.86 28.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -169.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 83.9 mt -104.09 6.51 35.92 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.617 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 28.2 m -155.51 132.92 11.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.456 0.17 . . . . 0.0 111.224 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 18.9 t70 73.72 -58.16 0.6 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.457 0.703 . . . . 0.0 112.295 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 57.0 tp -102.08 141.62 34.63 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.188 0.518 . . . . 0.0 111.333 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 88.2 mt -106.32 129.69 24.13 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 169.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1229 ' ' PRO . . . . . 0.752 ' HG3' HD21 ' A' 1223 ' ' LEU . 68.9 Cg_exo -52.06 123.05 11.66 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.948 2.432 . . . . 0.0 112.714 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.41 132.38 35.66 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.754 2.302 . . . . 0.0 110.622 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 59.0 m -71.05 94.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.221 0.534 . . . . 0.0 111.529 -175.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 28.2 m -87.15 -32.55 19.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.023 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -106.89 120.97 6.39 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.172 172.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.04 -172.04 1.26 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.597 0.236 . . . . 0.0 111.308 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1235 ' ' PHE . . . . . 0.519 ' HA ' ' OE1' ' A' 1291 ' ' GLN . 81.1 m-85 -51.22 133.73 28.1 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.583 177.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 9.5 tt0 72.71 -47.29 0.67 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.083 0.865 . . . . 0.0 111.351 -176.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.83 -31.42 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.878 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.96 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.308 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -71.86 -42.12 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.161 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 16.7 m -59.8 -35.09 73.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.962 0.411 . . . . 0.0 110.482 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -72.12 -46.72 55.47 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.196 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.457 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 36.1 tp -60.06 -41.77 93.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.79 177.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -60.52 -36.64 78.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.86 -42.2 86.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.666 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -73.32 -35.51 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.919 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.91 63.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.434 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -58.44 -35.53 72.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.303 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -72.54 -43.63 43.8 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.26 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.7 tp -68.6 -30.55 69.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.672 0.272 . . . . 0.0 110.902 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -58.39 -40.59 82.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 0.0 110.477 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -76.14 -34.36 59.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.72 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1252 ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' 1255 ' ' GLU . . . -60.72 -34.1 73.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1253 ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' 1257 ' ' VAL . . . -69.92 -44.05 70.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.095 174.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.0 m -55.07 -36.15 65.29 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.693 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' 1252 ' ' ALA . 66.9 mm-40 -54.96 -50.09 69.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.245 175.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1256 ' ' LEU . . . . . 0.419 ' HB3' HD23 ' A' 1335 ' ' LEU . 64.2 mt -66.7 -32.58 73.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.964 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1257 ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' 1253 ' ' ALA . 57.9 t -63.66 -52.12 61.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.747 0.308 . . . . 0.0 111.03 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -70.31 -30.7 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.102 0.477 . . . . 0.0 110.474 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -72.26 -27.6 62.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1260 ' ' SER . . . . . 0.434 ' HB2' HD21 ' A' 1335 ' ' LEU . 28.1 t -56.53 -32.46 65.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.928 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1261 ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' 1261 ' ' ARG . 13.5 mtp180 -109.5 17.52 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -113.74 -99.17 2.33 Favored Glycine 0 N--CA 1.439 -1.156 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 13.1 p -140.88 160.26 59.11 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.543 0.211 . . . . 0.0 110.545 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1264 ' ' PRO . . . . . 0.605 ' HA ' HD11 ' A' 1267 ' ' LEU . 32.3 Cg_exo -60.59 -26.36 82.7 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.72 2.28 . . . . 0.0 111.938 174.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -70.96 -37.95 72.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.448 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -65.32 -44.32 88.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.748 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' 1264 ' ' PRO . 87.0 mt -54.22 -44.26 71.54 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.894 176.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -59.79 -54.99 39.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.54 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.58 -31.81 70.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.517 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -70.08 -43.83 70.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.722 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 46.7 m -58.21 -45.56 87.45 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.43 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.32 -44.74 96.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.718 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1273 ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' 1273 ' ' ARG . 28.1 mtm180 -73.37 -44.23 59.04 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.297 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1274 ' ' PHE . . . . . 0.501 ' HD2' HD22 ' A' 1316 ' ' LEU . 73.0 t80 -57.76 -41.84 82.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.729 -177.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -68.19 -42.89 82.49 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.632 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.2 -47.2 65.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.672 0.272 . . . . 0.0 110.989 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.52 -35.99 81.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.651 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.539 ' CE2' HG13 ' A' 1216 ' ' VAL . 74.4 t80 -62.59 -39.4 93.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.627 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1279 ' ' SER . . . . . 0.403 ' OG ' ' HB1' ' A' 1215 ' ' ALA . 22.0 m -57.24 -48.81 77.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.374 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 24.6 m -71.54 -37.77 71.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.691 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1281 ' ' PHE . . . . . 0.436 ' HE2' HG22 ' A' 1308 ' ' ILE . 80.9 t80 -57.5 -51.56 68.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.793 177.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.505 ' O ' HG22 ' A' 1286 ' ' VAL . 41.7 tp -64.12 -40.4 96.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.982 -177.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1283 ' ' GLU . . . . . 0.411 ' HA ' HD11 ' A' 1223 ' ' LEU . 37.7 mt-10 -57.71 -48.63 79.02 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.728 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -64.33 -34.56 78.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.929 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1285 ' ' GLY . . . . . 0.438 ' O ' ' HG2' ' A' 1288 ' ' MET . . . -64.24 -47.34 85.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.355 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.533 ' HB ' ' HG2' ' A' 1229 ' ' PRO . 7.5 t -74.43 -24.35 18.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.274 0.559 . . . . 0.0 109.904 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.27 -42.53 83.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.677 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.624 ' O ' ' HG2' ' A' 1291 ' ' GLN . 12.9 ptm -68.54 -24.9 64.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.042 0.449 . . . . 0.0 109.853 176.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1289 ' ' ALA . . . . . 0.665 ' HB1' ' HG3' ' A' 1298 ' ' ARG . . . -73.3 -8.71 56.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.151 0.501 . . . . 0.0 110.362 173.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -91.1 -27.63 17.96 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.153 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' 1288 ' ' MET . 29.4 pt20 -78.13 -12.58 60.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.211 0.529 . . . . 0.0 109.731 177.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1292 ' ' ALA . . . . . 0.466 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -85.44 115.98 63.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.36 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1293 ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.6 Cg_exo -74.74 -27.66 10.35 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.068 2.512 . . . . 0.0 112.66 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 26.7 m -84.82 129.45 34.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.906 0.384 . . . . 0.0 111.038 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.66 -38.28 90.5 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.967 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.97 -38.92 76.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 0.0 110.384 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.94 -41.86 97.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.265 0.555 . . . . 0.0 109.802 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.665 ' HG3' ' HB1' ' A' 1289 ' ' ALA . 65.8 ttt180 -60.56 -43.05 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.461 174.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.36 79.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.021 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -58.54 -54.02 51.81 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.573 ' O ' ' HG ' ' A' 1305 ' ' LEU . 3.7 p -68.2 -34.38 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.032 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.535 ' HA ' HD11 ' A' 1305 ' ' LEU . 60.5 t -67.5 -30.76 49.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.69 0.281 . . . . 0.0 111.213 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 34.4 m -63.41 -38.1 89.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.853 0.359 . . . . 0.0 110.153 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -65.37 -42.11 93.07 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.369 0.604 . . . . 0.0 109.971 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.2 mt -58.3 -48.14 81.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.715 -176.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.24 -41.82 97.54 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.35 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -55.14 -45.43 82.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.609 -177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1308 ' ' ILE . . . . . 0.436 HG22 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -77.52 -36.06 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 122.62 -0.341 . . . . 0.0 110.465 179.131 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1309 ' ' SER . . . . . 0.46 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 50.3 m -64.75 -46.96 79.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 111.281 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.601 ' O ' ' HG3' ' A' 1314 ' ' LYS . 19.1 ptm -66.04 -38.33 88.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.225 -178.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 22.4 m -70.72 -35.19 72.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.245 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 38.9 t -62.56 -44.39 96.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.504 0.669 . . . . 0.0 109.336 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.523 ' O ' ' HG ' ' A' 1317 ' ' LEU . 64.0 m -58.43 -51.32 70.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.641 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.601 ' HG3' ' O ' ' A' 1310 ' ' MET . 85.9 mttt -65.75 -32.87 74.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.155 -177.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1315 ' ' LEU . . . . . 0.57 HD22 ' HA ' ' A' 1339 ' ' ALA . 46.3 tp -65.39 -46.96 78.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.996 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.536 ' O ' ' HG3' ' A' 1320 ' ' LYS . 99.4 mt -65.57 -32.74 74.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.777 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' 1313 ' ' SER . 95.8 mt -61.79 -35.25 77.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.002 0.429 . . . . 0.0 110.434 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.86 -36.23 75.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.343 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -65.58 -33.29 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.721 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1320 ' ' LYS . . . . . 0.542 ' HD2' HD13 ' A' 1213 ' ' LEU . 6.2 mtpm? -64.33 -47.72 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.129 0.49 . . . . 0.0 110.187 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1321 ' ' ALA . . . . . 0.416 ' C ' HD22 ' A' 1331 ' ' LEU . . . -66.5 -33.66 76.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.782 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' 1325 ' ' ASP . 24.6 tp -81.7 -16.81 50.03 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 10.0 p -85.39 -26.06 26.67 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.411 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 6.5 t -91.54 -30.27 16.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 109.913 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1325 ' ' ASP . . . . . 0.412 ' O ' HD12 ' A' 1322 ' ' LEU . 10.0 t70 -128.16 92.91 40.35 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.342 176.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -92.85 14.83 1.56 Allowed 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 122.793 2.328 . . . . 0.0 112.316 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -102.22 -42.71 5.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.732 -174.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 18.4 m -61.68 111.68 4.83 Favored Pre-proline 0 CA--C 1.533 0.296 0 O-C-N 123.293 0.37 . . . . 0.0 111.714 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.54 -31.78 50.06 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.021 2.481 . . . . 0.0 111.931 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -62.76 -28.24 69.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.417 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1331 ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' 1321 ' ' ALA . 20.5 tp -76.17 -34.41 59.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.441 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' 1260 ' ' SER . 4.4 mptp? -58.02 -53.05 62.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.16 0.505 . . . . 0.0 109.924 174.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 43.5 m -64.27 -39.57 94.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.146 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.79 -43.47 94.4 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.715 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1335 ' ' LEU . . . . . 0.434 HD21 ' HB2' ' A' 1260 ' ' SER . 9.7 tt -64.07 -48.19 77.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.988 177.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1336 ' ' ALA . . . . . 0.617 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -56.71 -39.55 74.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.236 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.93 99.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.166 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' 1342 ' ' VAL . . . -69.67 -37.68 76.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.497 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1339 ' ' ALA . . . . . 0.57 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.23 -43.72 98.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.794 177.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1340 ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' 1336 ' ' ALA . 29.6 mmt180 -59.59 -41.92 91.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.194 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.57 99.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.977 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.596 ' O ' HG13 ' A' 1346 ' ' ILE . 89.7 t -62.3 -52.91 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.457 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 25.7 m -61.76 -34.69 76.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 110.812 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.98 -46.52 84.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.536 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 48.8 m -72.79 -28.36 62.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.425 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' 1342 ' ' VAL . 91.7 mt -61.23 -54.43 35.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.947 0.403 . . . . 0.0 110.188 175.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 6.9 p30 -71.76 -28.87 63.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.298 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -60.88 -46.56 90.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.836 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.0 -52.06 67.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.205 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.457 ' CD1' ' HG ' ' A' 1242 ' ' LEU . 41.0 mm -62.35 -45.82 97.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.389 -177.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 50.2 m -69.48 -43.95 72.13 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 93.0 mmm -76.25 -27.23 56.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.605 0.241 . . . . 0.0 111.578 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.525 ' HB3' ' HE2' ' A' 1288 ' ' MET . 94.7 m -86.06 -66.52 0.89 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.442 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 66.5 p 44.56 -134.72 0.65 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.273 0.358 . . . . 0.0 110.719 -171.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -139.22 8.43 2.46 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -131.93 -34.68 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.135 -173.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.644 -0.693 . . . . 0.0 110.769 179.893 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 10.3 tt -119.28 120.78 64.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.255 0.55 . . . . 0.0 110.855 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -141.62 127.76 11.14 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.472 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.86 97.39 0.33 Allowed 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.497 2.131 . . . . 0.0 112.228 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -67.27 -22.76 65.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.973 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1205 ' ' THR . . . . . 0.609 ' O ' ' HB2' ' A' 1268 ' ' ALA . 22.5 m -60.88 -49.97 75.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.294 175.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -61.69 -29.19 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -70.71 -17.63 62.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.269 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1208 ' ' ASP . . . . . 0.684 ' HA ' ' HB3' ' A' 1211 ' ' ASN . 23.4 m-20 -62.5 -22.73 66.5 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -174.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1209 ' ' VAL . . . . . . . . . . . . . 33.4 m -71.32 -28.66 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.885 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -83.53 -45.97 12.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.845 173.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1211 ' ' ASN . . . . . 0.684 ' HB3' ' HA ' ' A' 1208 ' ' ASP . 34.6 t30 -51.99 -43.6 63.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.096 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1212 ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' 1316 ' ' LEU . . . -53.81 -54.55 36.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.32 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 59.2 mt -63.8 -39.61 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -58.87 -44.32 91.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.564 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.7 -48.74 53.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.58 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1216 ' ' VAL . . . . . . . . . . . . . 88.9 t -60.54 -42.75 92.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.97 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -70.11 -26.31 74.45 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.57 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1218 ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' 1221 ' ' LYS . 14.0 t70 -83.87 -39.19 20.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.365 . . . . 0.0 110.969 -177.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1219 ' ' ALA . . . . . 0.413 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -63.05 -44.7 95.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.304 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1220 ' ' SER . . . . . 0.582 ' O ' ' HB2' ' A' 1224 ' ' LEU . 15.0 p -67.96 -26.79 66.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.408 0.623 . . . . 0.0 110.294 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1221 ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' 1218 ' ' ASP . 27.2 ttmt -69.16 -57.04 5.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.798 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -70.7 -54.06 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.927 -177.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.48 ' HA ' ' HB3' ' A' 1227 ' ' LEU . 83.5 mt -67.35 -42.59 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -169.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1224 ' ' LEU . . . . . 0.582 ' HB2' ' O ' ' A' 1220 ' ' SER . 4.6 mm? -76.67 8.53 3.52 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.06 0.457 . . . . 0.0 112.057 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 66.6 m -96.93 32.12 2.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.801 174.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 19.4 t70 67.25 35.09 4.57 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.155 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1227 ' ' LEU . . . . . 0.48 ' HB3' ' HA ' ' A' 1223 ' ' LEU . 4.0 tt -89.83 97.36 11.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.032 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1228 ' ' LEU . . . . . 0.477 HD21 ' HA3' ' A' 1290 ' ' GLY . 63.8 mt -97.11 111.95 59.39 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.152 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1229 ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -63.36 127.61 20.44 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.476 2.117 . . . . 0.0 111.593 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.66 108.88 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.092 2.528 . . . . 0.0 112.177 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 7.2 m -90.65 137.09 32.63 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.038 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 5.0 m -87.21 -1.22 57.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.845 0.831 . . . . 0.0 110.157 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 147.11 -74.95 0.29 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.805 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1234 ' ' THR . . . . . 0.763 ' HA ' ' HB3' ' A' 1237 ' ' GLU . 39.5 p 42.53 -96.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 176.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 36.3 t80 56.87 -82.75 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.528 0.731 . . . . 0.0 110.493 -173.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.62 -34.06 69.49 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.317 0.579 . . . . 0.0 109.528 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1237 ' ' GLU . . . . . 0.763 ' HB3' ' HA ' ' A' 1234 ' ' THR . 38.4 tt0 -67.62 -38.29 83.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.025 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1238 ' ' ALA . . . . . 0.513 ' HB3' ' HB ' ' A' 1234 ' ' THR . . . -69.31 -30.12 68.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.102 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -68.0 -44.71 75.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.552 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 35.2 t -63.02 -35.48 80.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.677 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -61.73 -40.21 94.27 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.859 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.452 HD13 ' SD ' ' A' 1288 ' ' MET . 1.0 OUTLIER -61.54 -38.99 89.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.656 176.414 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1243 ' ' ASN . . . . . 0.438 HD21 ' N ' ' A' 1243 ' ' ASN . 0.9 OUTLIER -66.84 -41.38 87.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.826 0.346 . . . . 0.0 110.458 -178.163 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.89 -50.9 71.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.288 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -66.33 -34.04 77.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.189 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.12 74.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.254 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.91 93.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.697 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.71 -44.3 96.55 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.102 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 26.0 tp -73.07 -35.15 66.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.77 0.319 . . . . 0.0 110.765 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -61.7 -40.16 94.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.12 0.486 . . . . 0.0 110.289 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1251 ' ' GLN . . . . . 0.418 ' O ' ' HG2' ' A' 1255 ' ' GLU . 23.7 tt0 -73.3 -33.2 65.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.276 176.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.11 87.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.964 0.411 . . . . 0.0 110.43 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1253 ' ' ALA . . . . . 0.519 ' O ' HG22 ' A' 1257 ' ' VAL . . . -65.02 -39.3 93.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.135 0.493 . . . . 0.0 109.793 172.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 76.1 m -62.08 -37.82 86.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.713 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' 1251 ' ' GLN . 42.7 mm-40 -55.68 -49.83 71.9 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.992 174.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1256 ' ' LEU . . . . . 0.446 ' HB3' HD22 ' A' 1335 ' ' LEU . 52.4 mt -62.21 -34.77 77.1 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.263 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1257 ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' 1253 ' ' ALA . 80.6 t -62.2 -52.28 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.753 0.311 . . . . 0.0 110.703 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -61.7 -43.1 99.49 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.158 0.504 . . . . 0.0 110.587 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1259 ' ' ALA . . . . . 0.489 ' HB1' ' CA ' ' A' 1267 ' ' LEU . . . -67.88 -33.31 74.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.818 -178.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1260 ' ' SER . . . . . 0.528 ' HA ' HD21 ' A' 1322 ' ' LEU . 35.5 t -61.12 -32.37 72.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.963 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -58.51 -29.68 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.385 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 137.42 91.88 0.28 Allowed Glycine 0 CA--C 1.499 -0.929 0 C-N-CA 120.117 -1.039 . . . . 0.0 115.449 162.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1263 ' ' THR . . . . . 0.544 HG21 ' HB2' ' A' 1266 ' ' ASP . 0.0 OUTLIER -168.21 117.65 0.64 Allowed Pre-proline 0 N--CA 1.446 -0.625 0 CA-C-N 114.412 -0.894 . . . . 0.0 109.186 169.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1264 ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' 1263 ' ' THR . 35.2 Cg_exo -60.57 -43.19 34.41 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.373 2.715 . . . . 0.0 113.253 -170.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -67.65 -28.49 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1266 ' ' ASP . . . . . 0.544 ' HB2' HG21 ' A' 1263 ' ' THR . 2.1 m-20 -75.34 -56.0 5.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.189 176.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.489 ' CA ' ' HB1' ' A' 1259 ' ' ALA . 47.1 tp -54.79 -50.77 67.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.591 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1268 ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' 1205 ' ' THR . . . -61.61 -51.86 66.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.107 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1269 ' ' ARG . . . . . 0.605 ' HA ' ' HE ' ' A' 1269 ' ' ARG . 1.0 OUTLIER -61.6 -36.54 81.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.704 -179.363 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.68 95.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.637 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 16.6 m -59.8 -47.15 86.86 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.293 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -62.79 -34.44 89.75 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.632 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -75.7 -42.76 50.09 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.545 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1274 ' ' PHE . . . . . 0.401 ' CD2' HD21 ' A' 1316 ' ' LEU . 68.0 t80 -57.37 -47.03 82.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.617 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -66.38 -28.85 73.98 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.185 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -75.02 -51.91 12.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.09 -29.84 70.6 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.691 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.536 ' HE1' ' HA ' ' A' 1309 ' ' SER . 83.0 t80 -57.18 -47.68 80.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.048 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 91.0 p -63.75 -40.34 96.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.342 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 19.2 m -62.22 -37.14 84.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.226 0.536 . . . . 0.0 110.558 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1281 ' ' PHE . . . . . 0.425 ' HE2' HG22 ' A' 1308 ' ' ILE . 74.2 t80 -71.63 -51.16 24.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.753 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.458 ' O ' HG22 ' A' 1286 ' ' VAL . 28.5 tp -61.64 -44.2 97.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.358 -175.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.56 -44.97 89.88 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.646 0.26 . . . . 0.0 111.277 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.1 99.66 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.028 0.442 . . . . 0.0 110.621 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.56 -45.62 95.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.183 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' 1223 ' ' LEU . 92.6 t -65.69 -36.01 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.437 0.16 . . . . 0.0 110.923 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1287 ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' 1291 ' ' GLN . 36.6 tt0 -61.26 -45.98 92.24 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.602 0.239 . . . . 0.0 110.623 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.452 ' SD ' HD13 ' A' 1242 ' ' LEU . 21.0 ptm -78.23 -26.82 47.5 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.985 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -68.17 -35.15 77.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.962 0.411 . . . . 0.0 110.426 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1290 ' ' GLY . . . . . 0.477 ' HA3' HD21 ' A' 1228 ' ' LEU . . . -71.67 -13.07 74.65 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.944 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' 1287 ' ' GLU . 9.6 pt20 -114.8 12.81 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.843 0.354 . . . . 0.0 111.334 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1292 ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -72.18 123.81 89.99 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.914 174.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1293 ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 22.8 Cg_exo -64.87 -55.83 0.46 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.144 2.562 . . . . 0.0 113.363 -174.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 16.2 m -76.97 128.2 34.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.703 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -64.42 -33.69 76.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.809 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.69 -45.3 79.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.475 0.655 . . . . 0.0 109.707 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.25 -42.57 96.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.345 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.469 ' HA ' HG12 ' A' 1301 ' ' VAL . 71.5 ttt180 -63.82 -43.37 96.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.619 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.94 80.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.863 0.363 . . . . 0.0 110.527 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -63.59 -53.44 51.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.821 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.663 ' HA ' ' ND2' ' A' 1304 ' ' ASN . 12.2 p -63.34 -32.19 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.284 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.535 ' HA ' HD11 ' A' 1305 ' ' LEU . 72.9 t -69.41 -35.57 67.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.017 0.437 . . . . 0.0 110.682 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 12.7 t -68.09 -36.71 80.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.026 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1304 ' ' ASN . . . . . 0.663 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 41.7 m-20 -59.13 -40.12 84.46 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.235 0.541 . . . . 0.0 109.604 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.535 HD11 ' HA ' ' A' 1302 ' ' VAL . 89.5 mt -58.05 -42.67 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.523 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1306 ' ' LYS . . . . . 0.61 ' HG2' ' HE3' ' A' 1310 ' ' MET . 24.1 ttmm -67.86 -41.86 82.25 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.361 176.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.11 -45.13 63.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.436 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1308 ' ' ILE . . . . . 0.546 HG13 HG12 ' A' 1346 ' ' ILE . 0.0 OUTLIER -78.95 -41.1 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.972 179.416 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1309 ' ' SER . . . . . 0.536 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 68.3 m -59.11 -46.71 87.61 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.744 0.306 . . . . 0.0 111.031 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.61 ' HE3' ' HG2' ' A' 1306 ' ' LYS . 51.1 mtm -58.82 -53.09 62.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.861 178.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 42.2 m -59.52 -38.76 81.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.314 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 50.8 m -65.7 -39.99 91.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.404 0.621 . . . . 0.0 110.069 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.521 ' O ' ' HG ' ' A' 1317 ' ' LEU . 48.9 m -62.07 -50.97 69.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.386 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.582 ' HA ' HD12 ' A' 1317 ' ' LEU . 49.4 mttm -61.65 -32.67 72.85 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.33 -178.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.89 -48.93 69.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 110.928 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.469 HD12 ' HB2' ' A' 1212 ' ' ALA . 79.9 mt -66.01 -26.57 67.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.24 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' 1314 ' ' LYS . 95.0 mt -59.87 -27.66 66.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.776 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.81 57.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.184 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.46 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -51.38 -50.07 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.777 174.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -78.35 -29.01 47.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.429 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.528 HD21 ' HA ' ' A' 1260 ' ' SER . 36.1 tp -78.09 -21.55 50.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.574 -175.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 21.5 p -74.4 -28.95 61.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.101 0.477 . . . . 0.0 110.452 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 17.3 p -92.53 -30.44 15.67 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 176.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1325 ' ' ASP . . . . . 0.455 ' O ' HD13 ' A' 1322 ' ' LEU . 10.4 t70 -127.69 89.83 49.82 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.156 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -92.09 16.57 1.42 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.63 2.22 . . . . 0.0 112.203 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -105.91 -39.14 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.028 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 23.6 m -62.74 115.31 16.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.925 0.393 . . . . 0.0 111.503 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.89 -33.95 50.54 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.079 2.519 . . . . 0.0 112.043 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -63.43 -25.96 68.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.749 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 14.6 tp -76.02 -30.65 58.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.875 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.3 mptm? -62.16 -47.35 84.93 Favored 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 10.0 m -62.12 -36.56 82.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.207 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.36 -46.29 87.23 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 110.338 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1335 ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' 1256 ' ' LEU . 9.1 tt -67.01 -46.75 73.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.299 -179.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1336 ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -55.86 -42.28 75.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.051 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.86 86.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.024 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.05 -35.27 79.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -61.57 -39.92 92.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.638 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1340 ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' 1336 ' ' ALA . 36.4 mmt180 -60.42 -40.5 91.22 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 177.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.63 94.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.726 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' 1346 ' ' ILE . 79.8 t -65.49 -52.3 53.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.68 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 41.8 m -56.22 -46.7 79.42 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.039 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.06 -45.47 94.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.222 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 27.5 m -65.29 -37.7 87.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.131 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.546 HG12 HG13 ' A' 1308 ' ' ILE . 79.9 mt -61.83 -53.23 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.031 0.443 . . . . 0.0 110.378 177.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -64.04 -37.73 88.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.852 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -62.32 -36.12 81.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.635 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.65 ' HG ' ' CB ' ' A' 1304 ' ' ASN . 2.8 tt -64.83 -50.89 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.606 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 37.4 mm -63.29 -44.34 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.159 -177.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 95.8 m -56.3 -36.6 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 111.204 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 21.9 mmt -78.12 -46.75 19.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.578 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' 1350 ' ' ILE . 28.7 p -75.09 -25.04 58.23 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -174.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 36.7 m -68.03 96.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -69.06 95.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.111 0.481 . . . . 0.0 109.977 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -167.65 92.81 0.39 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.801 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.465 -0.779 . . . . 0.0 109.944 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 6.0 tp -137.45 122.83 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.103 0.478 . . . . 0.0 111.061 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -99.82 137.92 20.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.741 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -65.55 -71.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.317 2.011 . . . . 0.0 111.251 176.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -145.36 76.01 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.833 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1205 ' ' THR . . . . . 0.476 ' HA ' ' HB3' ' A' 1268 ' ' ALA . 24.4 m -131.79 -55.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.906 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.489 ' O ' HG23 ' A' 1209 ' ' VAL . 48.1 mt-30 -91.12 -28.02 18.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.371 0.605 . . . . 0.0 109.607 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -60.72 -41.53 95.46 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.01 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.05 -31.38 71.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.529 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 29.7 m -80.58 -27.88 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.368 -176.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -82.77 -44.5 15.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 9.9 t30 -60.15 -33.94 72.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.585 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1212 ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' 1216 ' ' VAL . . . -59.63 -47.24 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.648 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1213 ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' 1316 ' ' LEU . 25.7 mt -64.82 -35.65 81.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.721 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -59.74 -43.55 94.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.969 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.68 -46.62 71.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.25 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.528 HG13 ' CE2' ' A' 1278 ' ' PHE . 76.6 t -60.6 -48.6 87.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.062 0.458 . . . . 0.0 110.865 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.79 -39.24 97.23 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.076 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.26 -48.8 79.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.47 . . . . 0.0 110.64 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1219 ' ' ALA . . . . . 0.478 ' HB3' HD23 ' A' 1282 ' ' LEU . . . -61.94 -49.15 77.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.176 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1220 ' ' SER . . . . . 0.514 ' O ' ' HB3' ' A' 1224 ' ' LEU . 24.5 t -65.47 -24.56 67.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.952 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 57.1 tptt -78.24 -57.77 3.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.859 0.361 . . . . 0.0 111.016 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -73.75 -54.57 7.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.896 -173.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.662 ' HA ' ' O ' ' A' 1227 ' ' LEU . 57.4 mt -63.29 -39.35 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.863 -171.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1224 ' ' LEU . . . . . 0.514 ' HB3' ' O ' ' A' 1220 ' ' SER . 14.6 tp -79.65 -24.36 41.89 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.157 -173.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 10.7 t -78.3 -45.63 22.21 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.816 -176.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -170.03 -35.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1227 ' ' LEU . . . . . 0.662 ' O ' ' HA ' ' A' 1223 ' ' LEU . 2.1 tt -69.31 84.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.177 0.513 . . . . 0.0 111.336 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 3.9 pp -114.82 155.69 45.99 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.447 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1229 ' ' PRO . . . . . 0.608 ' HG2' ' HB2' ' A' 1287 ' ' GLU . 52.4 Cg_exo -55.93 112.19 0.99 Allowed 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.731 2.287 . . . . 0.0 112.538 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -81.32 113.8 2.7 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.137 2.558 . . . . 0.0 111.69 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 7.4 p 50.42 -175.74 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.95 0.9 . . . . 0.0 112.176 -175.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 1.7 m 65.95 22.29 11.3 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.52 0.676 . . . . 0.0 110.0 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -146.2 67.76 0.4 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.872 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 46.3 p -71.74 170.0 14.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.68 0.276 . . . . 0.0 110.841 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 31.5 p90 -54.96 -35.6 64.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.377 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -71.5 -47.99 51.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.626 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -62.88 -49.39 75.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.1 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -61.38 -36.3 79.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.058 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1239 ' ' GLN . . . . . 0.794 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 61.7 tt0 -62.76 -51.91 65.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.033 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1240 ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' 1244 ' ' GLU . 8.8 m -60.21 -36.05 76.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.368 0.604 . . . . 0.0 109.981 177.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -66.09 -44.63 83.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.893 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.513 HD23 ' HB3' ' A' 1284 ' ' ALA . 2.7 mm? -65.63 -35.6 81.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -62.66 -42.7 99.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.759 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1244 ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' 1240 ' ' SER . 29.7 mm-40 -65.73 -44.99 84.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.366 0.603 . . . . 0.0 110.164 178.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -69.25 -42.16 75.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.725 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1246 ' ' ALA . . . . . 0.506 ' HB3' HD13 ' A' 1350 ' ' ILE . . . -60.3 -53.84 52.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.989 -176.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.52 97.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.864 0.364 . . . . 0.0 111.002 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.45 94.28 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.041 178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 26.0 tp -71.01 -34.61 71.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.488 0.185 . . . . 0.0 110.757 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -59.62 -44.54 93.4 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 110.552 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1251 ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' 1255 ' ' GLU . 27.1 tt0 -72.62 -32.63 66.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.226 176.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.32 91.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.92 0.391 . . . . 0.0 110.945 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1253 ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' 1257 ' ' VAL . . . -63.77 -41.57 97.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.33 0.586 . . . . 0.0 110.006 174.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 95.7 m -62.83 -33.66 75.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.158 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' 1251 ' ' GLN . 13.0 mm-40 -59.14 -41.72 88.96 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.712 176.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1256 ' ' LEU . . . . . 0.554 ' HB3' HD21 ' A' 1335 ' ' LEU . 36.3 mt -67.06 -31.92 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.713 176.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1257 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1253 ' ' ALA . 60.6 t -63.87 -50.29 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.796 178.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -73.31 -29.08 62.45 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.531 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.69 94.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.463 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1260 ' ' SER . . . . . 0.57 ' OG ' ' HA ' ' A' 1332 ' ' LYS . 14.8 t -56.51 -27.54 57.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.997 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -107.77 24.21 13.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.712 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -129.6 -99.64 0.9 Allowed Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.974 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 71.0 p -140.99 154.07 67.95 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.591 0.195 . . . . 0.0 111.101 -173.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.44 -34.35 88.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.887 2.392 . . . . 0.0 112.599 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -73.48 -26.76 61.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.547 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.45 -44.06 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.689 HD23 HD23 ' A' 1322 ' ' LEU . 5.4 mp -58.54 -42.1 87.05 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.662 174.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1268 ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' A' 1205 ' ' THR . . . -57.35 -54.87 41.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.243 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1269 ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' 1269 ' ' ARG . 37.1 ttp180 -56.33 -42.98 78.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.118 0.485 . . . . 0.0 110.317 177.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.96 99.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.13 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 32.8 m -64.47 -41.77 96.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.938 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -65.41 -45.9 88.3 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.438 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -63.05 -48.67 77.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 72.8 t80 -57.18 -48.57 78.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.973 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -67.24 -44.81 85.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.853 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.31 -42.51 83.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.92 -177.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.7 -35.58 67.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.528 ' CE2' HG13 ' A' 1216 ' ' VAL . 68.6 t80 -61.68 -39.84 92.87 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 176.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1279 ' ' SER . . . . . 0.612 ' O ' ' HG3' ' A' 1283 ' ' GLU . 50.2 m -55.26 -48.8 73.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.385 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 12.5 m -68.37 -35.88 78.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.776 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1281 ' ' PHE . . . . . 0.438 ' HE2' HG23 ' A' 1308 ' ' ILE . 77.9 t80 -61.19 -47.28 86.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.717 177.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' 1286 ' ' VAL . 29.7 tp -68.38 -37.39 80.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -177.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1283 ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' 1279 ' ' SER . 86.8 mt-10 -57.53 -43.73 84.56 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.041 0.448 . . . . 0.0 110.035 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1284 ' ' ALA . . . . . 0.513 ' HB3' HD23 ' A' 1242 ' ' LEU . . . -68.45 -36.13 78.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.814 177.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1285 ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' 1288 ' ' MET . . . -63.62 -45.33 94.84 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.372 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' 1282 ' ' LEU . 33.1 t -69.88 -28.67 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.126 0.489 . . . . 0.0 109.957 177.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1287 ' ' GLU . . . . . 0.608 ' HB2' ' HG2' ' A' 1229 ' ' PRO . 42.2 tt0 -59.73 -41.83 91.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.775 173.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.433 ' HE3' ' HB3' ' A' 1288 ' ' MET . 83.4 mmm -59.29 -47.4 85.52 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.489 174.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -58.66 -37.3 75.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.253 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -70.23 -39.51 71.58 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.862 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' 1288 ' ' MET . 0.0 OUTLIER -82.62 -13.49 56.41 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.629 -0.336 . . . . 0.0 111.448 -176.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -59.44 129.26 86.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.165 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.44 -64.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.861 2.374 . . . . 0.0 112.708 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 16.4 m -89.95 144.56 25.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.384 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1295 ' ' GLN . . . . . 0.575 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 53.7 mt-30 -74.75 -11.41 60.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.358 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.26 -38.51 65.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 173.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -72.75 -36.15 67.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.575 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 34.2 ttt180 -62.2 -45.72 92.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.225 175.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.77 81.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.595 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -61.92 -51.49 67.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.323 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.596 ' O ' ' HG ' ' A' 1305 ' ' LEU . 13.1 p -64.15 -35.15 72.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.944 -177.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.506 ' HA ' HD12 ' A' 1305 ' ' LEU . 62.9 t -69.25 -36.68 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 50.3 m -62.21 -38.42 89.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.54 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1304 ' ' ASN . . . . . 0.673 ' HB2' HD21 ' A' 1349 ' ' LEU . 40.0 m-20 -64.1 -43.02 96.64 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.248 0.547 . . . . 0.0 109.581 175.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.5 mt -57.54 -49.69 75.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.939 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -59.39 -45.64 90.9 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1307 ' ' GLY . . . . . 0.602 ' HA2' ' HE1' ' A' 1310 ' ' MET . . . -54.27 -48.52 63.67 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.273 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1308 ' ' ILE . . . . . 0.504 HD13 ' O ' ' A' 1308 ' ' ILE . 0.1 OUTLIER -73.73 -36.64 47.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.903 0.352 . . . . 0.0 110.274 -179.266 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 48.8 m -63.35 -42.26 98.9 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.602 ' HE1' ' HA2' ' A' 1307 ' ' GLY . 26.2 ptt? -72.11 -36.93 69.57 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.204 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 48.0 m -67.8 -41.46 83.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.997 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 29.6 p -64.53 -39.68 94.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.457 0.646 . . . . 0.0 109.937 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' 1317 ' ' LEU . 64.6 m -61.34 -50.98 70.73 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.925 176.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.514 ' HA ' HD11 ' A' 1317 ' ' LEU . 57.2 mttm -63.74 -29.78 70.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.813 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1315 ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' 1339 ' ' ALA . 35.3 tp -67.12 -50.63 60.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.698 175.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.466 ' HB2' HD22 ' A' 1213 ' ' LEU . 87.9 mt -64.66 -26.96 68.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.477 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' 1313 ' ' SER . 92.1 mt -58.33 -38.53 77.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.702 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -74.9 -34.16 62.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.44 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.17 96.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.829 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1320 ' ' LYS . . . . . 0.529 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 27.8 mtmt -63.34 -44.28 95.31 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.219 0.533 . . . . 0.0 110.872 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.31 93.34 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.721 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.689 HD23 HD23 ' A' 1267 ' ' LEU . 33.1 tp -75.19 -23.67 57.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.706 -176.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 9.1 p -79.75 -14.51 58.68 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.125 -0.359 . . . . 0.0 111.173 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 12.1 t -106.95 -22.02 12.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.056 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 8.5 t0 -135.98 86.89 25.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -86.16 0.87 8.07 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.441 2.094 . . . . 0.0 112.667 -178.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -89.15 -35.2 16.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1328 ' ' SER . . . . . 0.457 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 49.7 m -64.45 113.14 9.48 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.052 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1329 ' ' PRO . . . . . 0.538 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 10.9 Cg_exo -71.3 -29.28 17.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.175 2.583 . . . . 0.0 112.78 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.18 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 111.018 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.03 -28.41 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.717 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.603 ' HZ2' HD12 ' A' 1322 ' ' LEU . 2.7 mptp? -66.99 -51.67 52.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 2.3 m -61.75 -42.92 99.6 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.73 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.03 -38.95 92.55 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.946 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1335 ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.0 tt -66.7 -49.22 66.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.21 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.98 76.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -68.92 -33.9 74.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.406 ' O ' HG21 ' A' 1342 ' ' VAL . . . -73.65 -39.79 64.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.694 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1339 ' ' ALA . . . . . 0.47 ' HA ' HD23 ' A' 1315 ' ' LEU . . . -62.62 -37.2 85.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.153 0.501 . . . . 0.0 110.334 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -60.61 -39.96 90.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.596 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.7 90.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.768 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.452 ' O ' HG13 ' A' 1346 ' ' ILE . 95.5 t -60.75 -50.9 78.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.774 178.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 62.2 m -52.41 -45.39 65.89 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.359 0.412 . . . . 0.0 111.524 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.74 -51.99 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.384 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 5.8 p -66.82 -31.15 71.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.085 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.561 ' O ' HG12 ' A' 1350 ' ' ILE . 74.3 mt -59.21 -50.49 79.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -71.33 -29.12 64.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.779 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -62.33 -38.46 89.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.265 0.555 . . . . 0.0 110.053 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.673 HD21 ' HB2' ' A' 1304 ' ' ASN . 3.4 tm? -70.91 -42.53 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.394 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' 1346 ' ' ILE . 35.9 mm -65.6 -27.15 40.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.35 -178.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 62.0 m -60.85 -30.59 70.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.265 0.555 . . . . 0.0 110.508 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1352 ' ' MET . . . . . 0.428 ' HG2' ' HB ' ' A' 1301 ' ' VAL . 45.4 tpp -78.4 -34.33 48.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.512 177.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.794 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 37.3 t -76.43 -59.13 2.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.687 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 30.6 m -121.56 110.66 16.28 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.22 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.47 141.8 58.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.106 0.479 . . . . 0.0 111.211 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -82.83 123.61 29.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.052 -175.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.699 176.586 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.897 0 N-CA-C 111.921 -0.472 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 32.4 pt -68.67 -35.8 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.95 0.405 . . . . 0.0 110.022 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -86.72 132.15 43.22 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1203 ' ' PRO . . . . . 0.535 ' O ' ' HG3' ' A' 1207 ' ' ARG . 27.5 Cg_exo -62.1 121.94 10.2 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.778 2.319 . . . . 0.0 112.85 -175.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1204 ' ' PHE . . . . . 0.419 ' O ' ' HB ' ' A' 1205 ' ' THR . 43.4 t80 -138.21 155.5 48.61 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.606 -0.886 . . . . 0.0 108.606 174.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1205 ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' 1204 ' ' PHE . 71.1 m 75.0 -52.36 0.67 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 122.785 0.434 . . . . 0.0 110.969 -177.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -65.48 -29.32 69.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.085 0.469 . . . . 0.0 110.347 172.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' 1203 ' ' PRO . 1.5 mmp_? -68.87 -27.9 66.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.703 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.5 -41.16 84.71 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.595 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.506 ' HB ' ' CD ' ' A' 1320 ' ' LYS . 2.3 m -83.98 -26.7 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.798 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -80.84 -53.86 6.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.787 0.327 . . . . 0.0 111.122 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -65.58 -27.08 68.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -57.9 -34.88 70.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.032 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 39.4 mt -72.15 -34.93 68.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -75.69 -35.4 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.383 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.58 80.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.982 0.42 . . . . 0.0 110.488 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.555 HG13 ' CE2' ' A' 1278 ' ' PHE . 96.9 t -68.67 -39.02 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.347 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.69 -54.32 32.17 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.946 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1218 ' ' ASP . . . . . 0.512 ' HA ' ' HE2' ' A' 1221 ' ' LYS . 52.2 m-20 -54.71 -46.99 74.28 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.705 0.288 . . . . 0.0 110.995 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.78 84.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1220 ' ' SER . . . . . 0.457 ' HA ' HD22 ' A' 1224 ' ' LEU . 11.7 p -68.32 -39.13 82.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.691 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1221 ' ' LYS . . . . . 0.512 ' HE2' ' HA ' ' A' 1218 ' ' ASP . 44.5 mtmt -62.09 -38.25 88.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.75 0.31 . . . . 0.0 110.954 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -77.2 -60.16 2.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.36 0.6 . . . . 0.0 110.794 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.691 ' HB3' HG21 ' A' 1286 ' ' VAL . 85.0 mt -65.8 -44.34 85.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.916 -168.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1224 ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' 1220 ' ' SER . 4.1 mm? -73.6 3.15 6.66 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.12 0.486 . . . . 0.0 111.848 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 31.6 m -103.35 15.44 29.1 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 24.1 t70 62.08 62.26 1.23 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.562 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 93.2 mt -124.56 105.78 9.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.731 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1228 ' ' LEU . . . . . 0.872 HD23 ' HA ' ' A' 1287 ' ' GLU . 41.6 mt -99.72 140.19 21.39 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.044 -177.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1229 ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' 1230 ' ' PRO . 71.6 Cg_exo -52.37 140.03 53.92 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.828 2.352 . . . . 0.0 111.96 177.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1230 ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 36.7 Cg_exo -57.19 108.86 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.127 2.552 . . . . 0.0 112.963 -175.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1231 ' ' SER . . . . . 0.49 ' C ' ' HG1' ' A' 1232 ' ' THR . 19.7 t 50.87 76.67 0.15 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.357 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1232 ' ' THR . . . . . 0.49 ' HG1' ' C ' ' A' 1231 ' ' SER . 7.9 m -152.13 148.52 27.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.043 178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1233 ' ' GLY . . . . . 0.554 ' HA2' ' HB3' ' A' 1237 ' ' GLU . . . 59.8 67.2 2.27 Favored Glycine 0 N--CA 1.452 -0.282 0 O-C-N 123.519 0.512 . . . . 0.0 113.387 173.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 4.8 m -70.96 84.51 0.68 Allowed 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 120.743 0.306 . . . . 0.0 111.007 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 4.1 m-85 65.83 -90.74 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.965 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -65.32 -39.21 92.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.799 -0.182 . . . . 0.0 110.873 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1237 ' ' GLU . . . . . 0.554 ' HB3' ' HA2' ' A' 1233 ' ' GLY . 3.2 tm-20 -54.68 -46.36 74.08 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.03 81.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.742 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -64.41 -52.96 55.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.424 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 28.4 m -60.49 -30.79 69.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.039 0.447 . . . . 0.0 110.549 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1241 ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' 1241 ' ' ARG . 29.2 ttp180 -74.59 -33.96 62.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.378 0.608 . . . . 0.0 109.585 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.43 HD22 ' HA2' ' A' 1285 ' ' GLY . 28.7 tp -66.15 -39.34 89.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.126 176.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -56.54 -44.53 80.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.975 0.417 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.18 -39.61 93.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.069 177.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1245 ' ' ALA . . . . . 0.571 ' HB2' ' HA ' ' A' 1281 ' ' PHE . . . -66.43 -36.91 83.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.115 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.17 -52.66 64.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.24 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.27 74.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.203 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.18 -49.24 41.29 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.1 tp -69.86 -29.31 66.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.568 0.223 . . . . 0.0 111.0 -176.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -56.71 -46.1 81.45 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.949 0.404 . . . . 0.0 110.307 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -75.48 -31.71 60.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.371 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.68 87.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.83 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.62 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.152 0.501 . . . . 0.0 110.184 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 92.9 m -65.83 -33.91 76.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.079 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1255 ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -58.81 -40.03 82.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.014 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1256 ' ' LEU . . . . . 0.755 ' HB3' HD23 ' A' 1335 ' ' LEU . 17.2 mt -64.25 -37.02 86.0 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.603 176.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 48.5 t -64.5 -48.5 84.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.985 0.421 . . . . 0.0 110.403 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -64.71 -33.99 77.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.598 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.38 89.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.919 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1260 ' ' SER . . . . . 0.656 ' HB3' ' HG3' ' A' 1332 ' ' LYS . 41.4 m -65.59 -23.58 66.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.326 0.584 . . . . 0.0 110.718 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -97.23 7.6 46.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.459 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -122.9 -97.98 1.37 Allowed Glycine 0 N--CA 1.437 -1.275 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.613 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1263 ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' A' 1264 ' ' PRO . 16.8 p -133.42 158.38 75.78 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.648 0.261 . . . . 0.0 111.081 -174.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1264 ' ' PRO . . . . . 0.407 ' HA ' HD13 ' A' 1267 ' ' LEU . 10.8 Cg_endo -57.1 -28.66 79.96 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.064 2.509 . . . . 0.0 112.163 174.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -78.04 -28.52 49.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.205 -175.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.75 -42.42 95.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.5 HD12 HD21 ' A' 1322 ' ' LEU . 66.6 mt -58.82 -36.25 74.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.308 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -63.79 -55.28 24.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.712 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -60.05 -41.52 92.5 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.853 0.359 . . . . 0.0 110.449 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.4 83.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.096 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1271 ' ' SER . . . . . 0.436 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 2.5 m -58.53 -48.31 81.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.359 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.68 -40.0 98.11 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.859 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -65.7 -53.55 39.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.723 0.297 . . . . 0.0 110.58 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -58.19 -45.58 87.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.196 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.79 -42.19 98.61 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.483 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -69.72 -44.25 70.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.075 0.464 . . . . 0.0 110.851 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 6.8 t70 -70.52 -33.63 71.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.655 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.555 ' CE2' HG13 ' A' 1216 ' ' VAL . 86.7 t80 -57.74 -36.16 71.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.044 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 18.0 m -60.08 -43.95 95.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.402 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 7.0 m -62.87 -35.23 79.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.829 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1281 ' ' PHE . . . . . 0.571 ' HA ' ' HB2' ' A' 1245 ' ' ALA . 76.0 t80 -76.12 -55.01 5.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.332 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' 1286 ' ' VAL . 33.4 tp -60.7 -46.43 90.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.439 -172.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1283 ' ' GLU . . . . . 0.459 ' HG2' HD12 ' A' 1223 ' ' LEU . 44.9 mt-10 -58.85 -42.68 89.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.257 -0.177 . . . . 0.0 111.044 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.15 89.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.94 0.4 . . . . 0.0 111.036 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1285 ' ' GLY . . . . . 0.43 ' HA2' HD22 ' A' 1242 ' ' LEU . . . -63.11 -46.44 93.29 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.453 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.691 HG21 ' HB3' ' A' 1223 ' ' LEU . 42.5 t -68.58 -35.97 72.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.792 0.33 . . . . 0.0 110.701 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1287 ' ' GLU . . . . . 0.872 ' HA ' HD23 ' A' 1228 ' ' LEU . 37.9 tt0 -58.96 -52.98 63.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.788 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.416 ' HE2' ' HB3' ' A' 1353 ' ' CYS . 19.8 ptm -67.62 -26.64 66.34 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.721 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.84 93.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.989 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1290 ' ' GLY . . . . . 0.784 ' HA3' HD13 ' A' 1228 ' ' LEU . . . -72.11 -20.63 79.14 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.026 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' 1287 ' ' GLU . 14.8 mm100 -83.76 -6.27 59.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.78 0.324 . . . . 0.0 110.813 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1292 ' ' ALA . . . . . 0.481 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -64.0 121.87 73.98 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.274 178.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1293 ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 25.6 Cg_exo -64.05 -58.76 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 123.009 2.472 . . . . 0.0 113.065 -176.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1294 ' ' SER . . . . . 0.456 ' HB2' ' OD1' ' A' 1297 ' ' ASP . 21.0 m -78.0 148.81 34.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.519 -174.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -62.34 -52.61 62.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.722 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -63.61 -38.79 92.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1297 ' ' ASP . . . . . 0.456 ' OD1' ' HB2' ' A' 1294 ' ' SER . 4.9 m-20 -61.22 -45.04 96.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.095 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.542 ' O ' HG22 ' A' 1302 ' ' VAL . 42.1 ttt180 -63.25 -45.98 89.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.674 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -67.01 -35.09 79.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.764 0.316 . . . . 0.0 111.266 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1300 ' ' GLN . . . . . 0.668 ' HG2' ' HE1' ' A' 1352 ' ' MET . 6.9 tp60 -65.82 -45.37 82.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -178.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.578 ' O ' ' HG ' ' A' 1305 ' ' LEU . 7.5 p -68.93 -33.12 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.111 -178.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' 1298 ' ' ARG . 85.4 t -69.58 -33.79 58.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.2 p -64.93 -39.25 93.22 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.266 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1304 ' ' ASN . . . . . 0.769 ' HB2' HD22 ' A' 1349 ' ' LEU . 41.4 m-80 -62.39 -37.11 84.5 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.298 0.571 . . . . 0.0 109.904 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' 1301 ' ' VAL . 90.5 mt -61.03 -38.53 86.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.434 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -47.12 80.09 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -50.89 -48.07 46.02 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.715 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -37.93 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.249 -178.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 56.2 p -69.88 -37.55 76.07 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 122.139 -0.35 . . . . 0.0 111.224 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1310 ' ' MET . . . . . . . . . . . . . 89.0 mmm -70.68 -42.56 70.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.657 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1311 ' ' SER . . . . . 0.624 ' HA ' ' HG2' ' A' 1314 ' ' LYS . 50.0 m -66.3 -35.4 80.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.121 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 5.7 p -69.95 -36.12 75.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.252 0.549 . . . . 0.0 110.039 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1313 ' ' SER . . . . . . . . . . . . . 70.6 m -61.0 -51.71 68.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.545 174.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.624 ' HG2' ' HA ' ' A' 1311 ' ' SER . 16.2 ptpt -72.07 -25.79 61.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.925 -176.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1315 ' ' LEU . . . . . 0.563 HD22 ' HA ' ' A' 1339 ' ' ALA . 18.9 tp -63.05 -49.54 74.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 173.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.575 ' O ' ' HE2' ' A' 1320 ' ' LYS . 69.9 mt -61.88 -34.81 76.69 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.833 -177.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1317 ' ' LEU . . . . . . . . . . . . . 92.9 mt -54.37 -42.29 70.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 110.67 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.77 88.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.593 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1319 ' ' ALA . . . . . 0.453 ' HA ' HD13 ' A' 1335 ' ' LEU . . . -60.83 -41.19 95.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.602 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1320 ' ' LYS . . . . . 0.575 ' HE2' ' O ' ' A' 1316 ' ' LEU . 43.4 mmtt -59.69 -52.43 65.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.32 93.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.56 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.95 ' HG ' ' HB3' ' A' 1331 ' ' LEU . 0.7 OUTLIER -72.21 -32.93 67.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.943 -176.22 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 60.9 p -70.2 -28.9 65.66 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.915 -0.491 . . . . 0.0 110.609 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 12.4 p -83.87 -34.65 24.54 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.869 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -132.49 94.92 21.38 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.931 0.395 . . . . 0.0 110.301 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1326 ' ' PRO . . . . . 0.608 ' HA ' HD22 ' A' 1322 ' ' LEU . 69.6 Cg_endo -91.67 18.13 1.23 Allowed 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 122.627 2.218 . . . . 0.0 112.047 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -101.11 -18.19 16.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.94 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.1 m -80.54 114.37 47.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.87 -31.49 47.52 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.581 2.187 . . . . 0.0 111.47 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 39.4 t30 -62.14 -34.73 76.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.109 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1331 ' ' LEU . . . . . 0.95 ' HB3' ' HG ' ' A' 1322 ' ' LEU . 6.9 mp -68.09 -41.05 82.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.656 ' HG3' ' HB3' ' A' 1260 ' ' SER . 2.3 mptm? -61.05 -48.74 80.38 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.697 0.284 . . . . 0.0 110.46 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 18.6 t -63.36 -38.62 91.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.169 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -59.92 -53.83 53.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.723 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1335 ' ' LEU . . . . . 0.755 HD23 ' HB3' ' A' 1256 ' ' LEU . 9.6 tt -60.14 -48.47 81.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.536 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -57.53 -37.97 73.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.75 0.309 . . . . 0.0 111.624 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.17 -48.5 67.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.753 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' 1342 ' ' VAL . . . -67.97 -35.48 78.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.092 -179.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1339 ' ' ALA . . . . . 0.563 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.84 -44.62 96.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.927 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1340 ' ' ARG . . . . . 0.81 ' HE ' ' HA ' ' A' 1340 ' ' ARG . 1.3 mmp_? -67.82 -32.51 73.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.299 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.4 99.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.33 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' 1338 ' ' ALA . 95.7 t -61.31 -51.65 70.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.2 176.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 33.9 m -56.76 -45.52 82.0 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.32 -41.7 98.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.823 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 21.1 m -65.85 -38.57 89.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.561 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.472 ' O ' HG12 ' A' 1350 ' ' ILE . 87.6 mt -59.24 -52.02 65.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.903 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -55.33 -50.07 70.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -59.55 -41.31 89.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.988 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.769 HD22 ' HB2' ' A' 1304 ' ' ASN . 2.7 tm? -63.86 -47.39 80.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' 1346 ' ' ILE . 39.8 mm -65.75 -42.57 92.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.877 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 41.3 m -61.01 -41.29 96.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1352 ' ' MET . . . . . 0.668 ' HE1' ' HG2' ' A' 1300 ' ' GLN . 18.3 tpt -70.57 -32.23 69.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.432 -178.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.416 ' HB3' ' HE2' ' A' 1288 ' ' MET . 69.4 m -83.87 -42.5 16.31 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 50.1 p -88.45 -19.35 26.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1355 ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' 1356 ' ' GLN . 8.3 tp-100 -124.09 140.2 53.2 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.484 -176.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1356 ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' 1355 ' ' GLN . 78.8 mt-30 72.62 2.84 4.5 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.954 0.784 . . . . 0.0 110.886 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.852 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 175.394 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.108 -0.397 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1201 ' ' ILE . . . . . 0.609 HD13 ' H ' ' A' 1201 ' ' ILE . 0.2 OUTLIER -109.22 155.1 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.291 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1202 ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' 1206 ' ' GLN . 19.6 t70 -111.67 110.82 54.78 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -52.29 -36.73 69.18 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.487 2.791 . . . . 0.0 113.613 -174.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 88.3 t80 -78.44 -44.56 24.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.522 0.201 . . . . 0.0 110.847 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1205 ' ' THR . . . . . 0.539 HG23 ' HB1' ' A' 1268 ' ' ALA . 78.9 m -59.43 -48.15 82.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.041 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' 1202 ' ' ASP . 13.5 pt20 -68.89 -29.86 68.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.92 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.06 -32.95 72.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -36.53 84.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.244 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.624 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 2.0 t -79.54 -35.77 17.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.992 0.425 . . . . 0.0 109.87 -177.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.73 -37.61 82.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.269 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 62.5 t30 -64.53 -39.92 94.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.07 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.19 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.5 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1213 ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' 1316 ' ' LEU . 46.7 mt -63.64 -35.37 80.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.073 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1214 ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' 1214 ' ' ARG . 23.2 ttp85 -62.87 -39.1 93.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.049 177.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -69.91 -42.96 72.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.503 HG12 ' CE2' ' A' 1278 ' ' PHE . 96.5 t -64.23 -47.41 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.139 0.495 . . . . 0.0 110.323 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.56 -34.0 88.74 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.975 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.01 -47.43 83.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1219 ' ' ALA . . . . . 0.604 ' HB1' HD21 ' A' 1282 ' ' LEU . . . -64.61 -37.41 87.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 40.9 t -61.56 -47.8 83.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.028 0.442 . . . . 0.0 110.224 175.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 24.1 tptm -65.59 -35.98 82.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.27 0.557 . . . . 0.0 110.91 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -76.3 -41.15 49.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.691 -174.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.774 ' HB3' HG21 ' A' 1286 ' ' VAL . 58.4 mt -107.15 -40.3 5.47 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -168.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.69 29.28 0.8 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.174 0.512 . . . . 0.0 110.994 -174.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1225 ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' 1227 ' ' LEU . 9.9 p -88.57 9.05 25.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.61 178.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 31.9 t70 74.57 -35.93 0.31 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.808 0.843 . . . . 0.0 111.337 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1227 ' ' LEU . . . . . 0.416 ' H ' ' C ' ' A' 1225 ' ' SER . 92.9 mt -69.89 100.31 1.54 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 173.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1228 ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' 1229 ' ' PRO . 3.5 pp -86.76 149.15 47.65 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.456 -175.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1229 ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' 1228 ' ' LEU . 11.1 Cg_exo -72.75 158.79 49.82 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.125 2.55 . . . . 0.0 111.501 174.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.2 110.93 0.67 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.616 2.211 . . . . 0.0 111.446 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1231 ' ' SER . . . . . 0.551 ' HB2' ' HA3' ' A' 1290 ' ' GLY . 26.0 t -66.26 107.53 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.999 -175.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 10.1 t -103.11 -13.37 16.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.991 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -95.26 98.44 2.26 Favored Glycine 0 N--CA 1.441 -1.001 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.424 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.9 -169.19 1.22 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1235 ' ' PHE . . . . . 0.661 ' HA ' ' OE1' ' A' 1291 ' ' GLN . 28.8 m-85 -62.73 -15.63 53.89 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -167.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -110.89 -37.98 5.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.021 0.439 . . . . 0.0 110.262 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -60.59 -48.39 82.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.013 178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -75.64 -30.02 59.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.454 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1239 ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' 1235 ' ' PHE . 5.0 tp-100 -58.68 -55.84 29.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.187 177.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 19.4 m -61.18 -38.07 85.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.476 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -65.96 -44.7 84.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.356 -175.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.17 -45.59 92.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.664 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -60.18 -47.61 85.23 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.705 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -43.9 97.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.731 0.301 . . . . 0.0 111.228 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1245 ' ' ALA . . . . . 0.528 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -69.52 -36.29 76.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.136 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -58.35 -51.82 68.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.292 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.42 -32.89 72.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.023 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -67.76 -47.97 58.18 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.124 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1249 ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' 1252 ' ' ALA . 31.2 tp -69.65 -27.18 64.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.613 0.244 . . . . 0.0 110.854 -178.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -57.28 -43.87 83.49 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.856 0.36 . . . . 0.0 110.428 175.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1251 ' ' GLN . . . . . 0.592 ' O ' ' HB ' ' A' 1254 ' ' THR . 44.4 tp60 -74.18 -35.43 63.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.601 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1252 ' ' ALA . . . . . 0.459 ' HB3' HD12 ' A' 1249 ' ' LEU . . . -61.16 -41.21 96.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.698 0.285 . . . . 0.0 110.921 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.66 -37.62 85.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.387 0.613 . . . . 0.0 109.787 173.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1254 ' ' THR . . . . . 0.592 ' HB ' ' O ' ' A' 1251 ' ' GLN . 25.6 m -56.8 -39.83 74.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.303 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' 1251 ' ' GLN . 18.1 mm-40 -58.29 -41.12 83.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.123 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1256 ' ' LEU . . . . . 0.515 ' HB3' HD21 ' A' 1335 ' ' LEU . 22.9 mt -64.22 -40.37 95.91 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.564 0.221 . . . . 0.0 110.596 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 44.8 t -60.57 -45.21 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.938 0.399 . . . . 0.0 110.425 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1258 ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' 1254 ' ' THR . 25.6 mm-40 -65.45 -42.81 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.206 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1259 ' ' ALA . . . . . 0.404 ' HB3' HD23 ' A' 1267 ' ' LEU . . . -62.28 -32.66 73.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.364 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1260 ' ' SER . . . . . . . . . . . . . 48.9 m -61.67 -28.62 69.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.183 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -102.28 13.86 33.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.272 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.47 -94.05 1.3 Allowed Glycine 0 N--CA 1.441 -1.019 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.936 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 14.3 p -136.85 156.15 76.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.455 0.169 . . . . 0.0 110.738 -174.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1264 ' ' PRO . . . . . 0.575 ' HA ' HD12 ' A' 1267 ' ' LEU . 24.2 Cg_exo -65.03 -26.87 58.03 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.581 2.187 . . . . 0.0 111.553 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -73.71 -38.19 64.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.56 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.37 -36.13 82.08 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' 1264 ' ' PRO . 55.1 mt -57.19 -50.71 71.99 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.818 173.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1268 ' ' ALA . . . . . 0.539 ' HB1' HG23 ' A' 1205 ' ' THR . . . -59.25 -45.11 92.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.122 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -63.82 -40.94 97.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.293 0.568 . . . . 0.0 110.2 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -65.41 -27.41 68.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.121 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1271 ' ' SER . . . . . 0.471 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 19.8 m -62.21 -46.52 88.52 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.823 0.344 . . . . 0.0 110.618 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1272 ' ' GLY . . . . . 0.527 ' O ' ' HG2' ' A' 1276 ' ' GLN . . . -69.0 -43.76 71.1 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.159 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -61.72 -32.75 73.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.303 -0.448 . . . . 0.0 111.347 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1274 ' ' PHE . . . . . 0.412 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 92.2 t80 -76.22 -48.71 19.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.653 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.05 -41.11 99.67 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.184 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1276 ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' 1272 ' ' GLY . 3.6 pt20 -64.25 -45.14 89.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.059 0.456 . . . . 0.0 111.229 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.96 -38.18 85.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.376 -177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.503 ' CE2' HG12 ' A' 1216 ' ' VAL . 62.1 t80 -54.32 -42.18 69.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.342 178.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 7.6 t -60.15 -42.83 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 24.2 m -57.69 -40.95 80.63 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.842 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1281 ' ' PHE . . . . . 0.528 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 85.7 t80 -71.13 -51.54 24.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.268 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.604 HD21 ' HB1' ' A' 1219 ' ' ALA . 31.5 tp -62.2 -43.93 97.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.364 -174.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.31 -31.28 71.12 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.825 0.345 . . . . 0.0 111.051 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -72.43 -38.16 68.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1285 ' ' GLY . . . . . 0.446 ' O ' ' HG2' ' A' 1288 ' ' MET . . . -68.19 -32.99 77.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.137 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.774 HG21 ' HB3' ' A' 1223 ' ' LEU . 56.8 t -72.16 -26.28 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.121 0.486 . . . . 0.0 110.346 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -62.13 -43.53 98.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.817 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.744 ' O ' ' HG2' ' A' 1291 ' ' GLN . 17.2 ptm -76.72 -23.68 53.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.726 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1289 ' ' ALA . . . . . 0.445 ' HA ' HG11 ' A' 1301 ' ' VAL . . . -62.3 -24.89 67.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.233 0.54 . . . . 0.0 109.988 172.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1290 ' ' GLY . . . . . 0.551 ' HA3' ' HB2' ' A' 1231 ' ' SER . . . -76.63 -40.96 25.65 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.683 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.744 ' HG2' ' O ' ' A' 1288 ' ' MET . 25.2 pt20 -63.15 -24.4 67.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.702 0.251 . . . . 0.0 110.894 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -54.15 113.31 4.88 Favored Pre-proline 0 C--O 1.232 0.163 0 O-C-N 123.822 0.701 . . . . 0.0 111.434 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -77.03 -25.62 8.62 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.561 2.174 . . . . 0.0 112.148 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 13.9 m -114.79 145.87 41.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.79 -28.57 69.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.438 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -58.44 -45.58 88.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.29 -39.0 60.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 110.098 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' 1302 ' ' VAL . 72.7 ttt180 -58.78 -51.53 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.728 178.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.24 -43.92 92.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.522 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -57.58 -53.32 59.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.441 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.608 ' O ' ' HG ' ' A' 1305 ' ' LEU . 14.5 p -64.84 -35.81 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.011 -176.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' 1298 ' ' ARG . 73.2 t -63.79 -42.26 95.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 120.429 0.157 . . . . 0.0 111.207 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.0 p -70.46 -28.0 64.66 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1304 ' ' ASN . . . . . 0.515 ' HB3' ' HG ' ' A' 1349 ' ' LEU . 80.5 m-20 -66.85 -46.5 74.83 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.413 0.625 . . . . 0.0 109.358 172.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' 1301 ' ' VAL . 87.3 mt -60.48 -42.95 97.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.453 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.388 173.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.73 -53.37 44.43 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.24 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1308 ' ' ILE . . . . . 0.46 HG23 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -72.05 -36.91 58.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.229 -177.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1309 ' ' SER . . . . . 0.501 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 37.2 p -65.02 -45.63 84.71 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.754 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.48 ' O ' ' HD3' ' A' 1314 ' ' LYS . 49.5 mtt -67.72 -39.27 84.32 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.886 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 66.6 m -58.84 -41.29 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.378 . . . . 0.0 110.455 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 43.9 m -65.94 -38.87 89.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.467 0.651 . . . . 0.0 109.919 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.511 ' O ' ' HG ' ' A' 1317 ' ' LEU . 58.6 m -62.16 -51.59 67.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.683 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.588 ' HA ' HD11 ' A' 1317 ' ' LEU . 0.2 OUTLIER -61.46 -33.68 74.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.769 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 34.9 tp -61.83 -51.34 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.71 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.502 ' HB2' HD22 ' A' 1213 ' ' LEU . 99.4 mt -65.72 -30.1 70.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.067 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.588 HD11 ' HA ' ' A' 1314 ' ' LYS . 94.6 mt -59.1 -42.67 91.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.78 0.324 . . . . 0.0 110.342 175.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -68.71 -35.37 77.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.237 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.12 92.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.156 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1320 ' ' LYS . . . . . 0.624 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 46.6 mtmt -58.26 -50.78 72.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.263 0.554 . . . . 0.0 110.169 176.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.5 98.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.823 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.669 HD11 ' HD2' ' A' 1332 ' ' LYS . 28.0 tp -71.24 -31.39 67.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.728 -175.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 37.7 m -74.98 -19.97 59.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.979 0.419 . . . . 0.0 110.781 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 22.7 p -108.04 -4.12 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.139 0.495 . . . . 0.0 111.049 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -151.91 78.22 6.75 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.566 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -92.93 5.57 3.17 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.041 2.494 . . . . 0.0 114.198 -171.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -101.33 13.9 33.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 0.0 111.215 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 42.8 m -108.5 105.16 56.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.615 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.43 -37.84 96.16 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.307 2.671 . . . . 0.0 113.015 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -76.64 -17.63 59.05 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.292 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 16.8 tp -73.02 -31.36 64.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.669 ' HD2' HD11 ' A' 1322 ' ' LEU . 1.9 mptp? -63.18 -47.82 80.99 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 170.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 15.1 m -61.62 -41.64 97.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.289 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -62.56 -44.98 94.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.615 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1335 ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.3 tt -61.62 -45.76 92.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1336 ' ' ALA . . . . . 0.656 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -58.54 -41.3 85.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.772 178.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.33 91.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.867 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1338 ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.04 82.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.598 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.55 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1340 ' ' ARG . . . . . 0.656 ' HG2' ' O ' ' A' 1336 ' ' ALA . 28.3 mmt180 -68.43 -33.96 75.13 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.73 79.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.867 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1342 ' ' VAL . . . . . . . . . . . . . 95.0 t -62.88 -52.62 57.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 74.1 m -62.05 -38.44 88.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.675 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1344 ' ' ASP . . . . . 0.595 ' O ' ' HG2' ' A' 1348 ' ' GLN . 14.4 t70 -57.13 -50.62 72.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.809 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 17.5 m -64.56 -35.69 81.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.457 ' O ' HG12 ' A' 1350 ' ' ILE . 85.5 mt -59.89 -48.37 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.24 -40.94 97.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.062 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1348 ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' 1344 ' ' ASP . 75.5 mm-40 -55.42 -35.96 65.95 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.612 178.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.515 ' HG ' ' HB3' ' A' 1304 ' ' ASN . 5.7 mt -69.82 -57.48 5.03 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.106 176.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.511 ' O ' HG21 ' A' 1354 ' ' THR . 48.8 mm -55.2 -43.03 68.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.467 -175.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1351 ' ' THR . . . . . 0.537 HG21 ' NE2' ' A' 1356 ' ' GLN . 85.9 m -56.25 -39.18 72.18 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.556 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1352 ' ' MET . . . . . 0.68 ' HE1' ' HA ' ' A' 1352 ' ' MET . 25.3 mmt -81.02 -39.28 26.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.063 0.458 . . . . 0.0 110.908 -179.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.413 ' SG ' ' HE2' ' A' 1288 ' ' MET . 60.0 m -75.51 -54.61 6.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.485 -172.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1354 ' ' THR . . . . . 0.511 HG21 ' O ' ' A' 1350 ' ' ILE . 5.1 t -88.47 159.09 18.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.975 0.417 . . . . 0.0 110.664 -174.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -74.42 105.92 5.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.327 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1356 ' ' GLN . . . . . 0.537 ' NE2' HG21 ' A' 1351 ' ' THR . 7.9 tt0 -102.05 -30.72 11.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.016 0.436 . . . . 0.0 110.041 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.307 -179.549 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 64.9 mt -94.34 -49.55 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.264 0.554 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -129.27 123.37 21.54 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.94 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -82.58 176.16 8.13 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.769 2.313 . . . . 0.0 112.253 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -76.99 77.95 3.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.545 0.688 . . . . 0.0 110.102 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1205 ' ' THR . . . . . 0.848 ' HA ' ' HB2' ' A' 1268 ' ' ALA . 60.2 m -149.01 -60.58 0.23 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.605 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.455 ' O ' HG22 ' A' 1209 ' ' VAL . 3.3 pt20 -80.92 -27.07 36.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.118 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -69.51 -41.89 75.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.323 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -63.88 -36.06 82.7 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.507 HG23 ' HD2' ' A' 1320 ' ' LYS . 29.7 m -72.4 -28.88 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.405 0.622 . . . . 0.0 110.009 -175.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.21 -38.99 21.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.695 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 52.0 t30 -64.83 -34.66 78.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.648 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.75 78.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.74 -33.64 76.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 110.778 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1214 ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' 1214 ' ' ARG . 14.3 ttp180 -64.88 -37.38 87.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.096 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.0 78.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.497 ' HA ' ' CE2' ' A' 1278 ' ' PHE . 95.9 t -63.84 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -68.48 -48.33 51.72 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.715 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -56.59 -52.06 66.26 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 122.348 0.259 . . . . 0.0 110.919 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1219 ' ' ALA . . . . . 0.435 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -56.82 -48.38 78.13 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.995 -177.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 25.0 t -60.36 -51.62 68.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.836 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -72.73 -38.26 67.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -174.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -73.11 -33.81 65.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.775 0.321 . . . . 0.0 111.123 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.834 HD23 ' HG2' ' A' 1229 ' ' PRO . 90.7 mt -89.62 -62.83 1.39 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.636 -176.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1224 ' ' LEU . . . . . 0.41 HD11 ' O ' ' A' 1224 ' ' LEU . 1.2 pp -114.5 104.27 11.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.323 0.582 . . . . 0.0 111.511 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 44.1 t -173.55 -65.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.647 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -130.65 -72.56 0.56 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.013 0.435 . . . . 0.0 110.752 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 6.7 tt -96.01 118.58 32.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.284 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1228 ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' 1229 ' ' PRO . 4.2 pp -82.27 131.22 56.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 121.054 0.454 . . . . 0.0 110.906 -178.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1229 ' ' PRO . . . . . 0.834 ' HG2' HD23 ' A' 1223 ' ' LEU . 18.5 Cg_exo -69.3 174.25 9.39 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 123.149 2.566 . . . . 0.0 110.979 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -46.95 110.28 0.28 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.78 2.32 . . . . 0.0 112.261 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1231 ' ' SER . . . . . 0.402 ' O ' ' HA3' ' A' 1290 ' ' GLY . 12.7 m -114.63 45.83 1.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.99 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 4.6 m -85.97 -0.36 55.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.935 -174.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -58.38 119.18 16.07 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.54 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 21.1 p -86.63 -178.83 6.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.892 0.377 . . . . 0.0 111.48 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1235 ' ' PHE . . . . . 0.542 ' HA ' ' NE2' ' A' 1291 ' ' GLN . 38.4 p90 -61.09 -24.26 66.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.883 -176.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1236 ' ' GLN . . . . . 0.434 ' HG2' ' CE2' ' A' 1235 ' ' PHE . 15.6 mm100 -96.11 -34.76 11.58 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.732 175.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -66.2 -54.42 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.215 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -75.24 -40.67 58.79 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -174.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.62 -50.31 65.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.36 -177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 20.2 m -66.27 -40.33 90.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.639 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -66.14 -38.47 88.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.875 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.505 HD23 ' HB2' ' A' 1284 ' ' ALA . 1.9 mm? -54.77 -39.81 68.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.162 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -70.36 -46.35 64.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -175.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -47.48 81.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.069 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -65.48 -36.88 85.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.85 90.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.094 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.5 97.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.324 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.63 -38.54 96.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.214 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1249 ' ' LEU . . . . . 0.451 HD21 HD12 ' A' 1308 ' ' ILE . 29.9 tp -77.33 -32.96 55.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.681 0.277 . . . . 0.0 110.585 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -57.7 -51.98 67.33 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.454 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1251 ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' A' 1255 ' ' GLU . 21.6 tt0 -66.56 -32.91 74.55 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.635 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1252 ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -58.75 -41.56 86.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.946 0.403 . . . . 0.0 110.719 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.41 90.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.207 0.527 . . . . 0.0 110.063 175.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 78.1 m -59.19 -44.26 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.034 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' 1251 ' ' GLN . 43.3 mt-10 -65.02 -35.29 80.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1256 ' ' LEU . . . . . 0.63 ' HB3' HD22 ' A' 1335 ' ' LEU . 13.7 mt -59.88 -43.13 94.91 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.687 0.279 . . . . 0.0 110.349 173.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 74.2 t -61.77 -43.62 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.724 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1258 ' ' GLN . . . . . 0.44 ' HA ' ' OE1' ' A' 1258 ' ' GLN . 12.8 mm-40 -66.05 -45.97 79.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.604 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.13 74.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.109 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1260 ' ' SER . . . . . . . . . . . . . 70.9 m -52.93 -38.97 62.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.966 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -107.32 25.21 11.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.653 0.263 . . . . 0.0 111.315 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.44 -83.36 0.61 Allowed Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 55.7 p -139.83 144.86 40.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1264 ' ' PRO . . . . . 0.489 ' HA ' HD21 ' A' 1267 ' ' LEU . 49.8 Cg_exo -57.45 -30.4 87.97 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.622 2.215 . . . . 0.0 111.841 175.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -69.2 -31.24 69.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.019 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.76 -33.83 74.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.471 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.489 HD21 ' HA ' ' A' 1264 ' ' PRO . 3.7 mm? -53.0 -39.6 63.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.454 174.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1268 ' ' ALA . . . . . 0.848 ' HB2' ' HA ' ' A' 1205 ' ' THR . . . -64.37 -45.98 85.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.967 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -57.99 -44.12 86.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.429 0.633 . . . . 0.0 109.503 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -67.82 -39.33 83.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.836 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1271 ' ' SER . . . . . 0.412 ' OG ' HG13 ' A' 1209 ' ' VAL . 49.8 m -62.19 -43.32 99.09 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.555 -177.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.57 -44.98 96.35 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.155 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -65.69 -49.54 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.703 0.287 . . . . 0.0 111.136 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1274 ' ' PHE . . . . . 0.615 ' CZ ' HD22 ' A' 1315 ' ' LEU . 39.7 t80 -58.05 -40.65 81.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.258 -175.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -73.57 -34.23 57.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.446 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -73.51 -51.92 15.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.632 0.253 . . . . 0.0 111.206 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -63.76 -26.79 68.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.871 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.631 ' CE1' ' HA ' ' A' 1309 ' ' SER . 84.4 t80 -58.09 -50.15 74.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.358 175.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 10.7 m -56.35 -46.9 79.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 11.2 m -57.4 -46.17 83.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.005 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 91.0 t80 -66.88 -46.26 75.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.435 HD23 ' HB1' ' A' 1219 ' ' ALA . 23.0 tp -66.35 -38.53 87.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -176.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1283 ' ' GLU . . . . . 0.425 ' HG2' HD21 ' A' 1223 ' ' LEU . 48.4 mt-10 -62.95 -38.65 91.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.813 0.34 . . . . 0.0 110.688 176.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1284 ' ' ALA . . . . . 0.505 ' HB2' HD23 ' A' 1242 ' ' LEU . . . -66.77 -33.9 76.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.103 176.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.38 -39.92 97.92 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.686 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' 1223 ' ' LEU . 47.1 t -67.32 -39.15 82.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.05 0.453 . . . . 0.0 110.019 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.34 -47.59 81.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.945 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.65 ' O ' ' HG2' ' A' 1291 ' ' GLN . 5.0 ptm -73.87 -24.97 59.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.183 0.516 . . . . 0.0 110.508 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1289 ' ' ALA . . . . . 0.705 ' HB3' ' HG3' ' A' 1298 ' ' ARG . . . -70.65 -8.15 49.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.401 0.62 . . . . 0.0 109.899 173.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1290 ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' 1231 ' ' SER . . . -88.89 -35.89 8.05 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.103 174.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.65 ' HG2' ' O ' ' A' 1288 ' ' MET . 20.8 pt20 -70.66 -20.91 62.66 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1292 ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -59.42 117.21 20.31 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.273 176.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1293 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.0 Cg_exo -72.88 -16.8 25.91 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.984 2.456 . . . . 0.0 112.449 -175.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 19.2 m -121.59 142.66 49.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.25 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -66.7 -40.18 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.998 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.9 -40.24 94.78 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.43 -41.25 89.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.835 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.705 ' HG3' ' HB3' ' A' 1289 ' ' ALA . 12.7 ttp180 -64.71 -37.88 89.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.622 176.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -62.17 -37.8 86.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.977 0.417 . . . . 0.0 110.366 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -59.79 -51.78 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.249 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.585 ' O ' ' HG ' ' A' 1305 ' ' LEU . 6.9 p -67.54 -35.46 73.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.195 -177.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' 1298 ' ' ARG . 53.0 t -61.76 -39.83 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.721 0.296 . . . . 0.0 110.877 177.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 43.9 t -63.03 -41.15 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.777 0.322 . . . . 0.0 110.353 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1304 ' ' ASN . . . . . 0.517 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 34.7 m-20 -62.03 -39.8 93.54 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.334 0.588 . . . . 0.0 109.647 177.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.3 mt -64.57 -38.87 92.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.627 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -61.42 -38.41 87.03 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.59 -52.32 51.06 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.047 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1308 ' ' ILE . . . . . 0.451 HD12 HD21 ' A' 1249 ' ' LEU . 0.0 OUTLIER -71.62 -35.34 55.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.859 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1309 ' ' SER . . . . . 0.631 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 66.3 m -60.9 -49.87 75.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.929 0.395 . . . . 0.0 110.827 177.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.412 ' O ' ' HG3' ' A' 1314 ' ' LYS . 9.3 mmt -62.22 -46.28 89.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.866 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1311 ' ' SER . . . . . 0.408 ' C ' HG21 ' A' 1342 ' ' VAL . 42.0 m -59.49 -41.26 89.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.636 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 39.0 t -63.32 -49.34 74.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.398 0.618 . . . . 0.0 110.014 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1313 ' ' SER . . . . . . . . . . . . . 42.2 t -52.09 -52.61 50.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.212 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.473 ' HA ' HD13 ' A' 1317 ' ' LEU . 62.5 mttm -73.52 -24.78 60.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.562 -174.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1315 ' ' LEU . . . . . 0.615 HD22 ' CZ ' ' A' 1274 ' ' PHE . 38.0 tp -66.28 -42.96 87.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.138 0.494 . . . . 0.0 109.668 173.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1316 ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.08 -33.8 76.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.729 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' 1314 ' ' LYS . 90.6 mt -59.36 -30.64 68.54 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.718 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.95 -40.99 75.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.214 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.99 76.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1320 ' ' LYS . . . . . 0.507 ' HD2' HG23 ' A' 1209 ' ' VAL . 19.0 mmmt -51.12 -56.34 13.22 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.547 175.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -73.12 -32.35 64.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.035 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.593 HD11 ' HD2' ' A' 1332 ' ' LYS . 30.4 tp -68.01 -24.19 65.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.196 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 16.5 t -74.82 -41.06 60.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 5.5 m -69.84 -46.05 66.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.211 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -119.56 91.31 44.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -92.43 6.84 3.18 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.824 2.349 . . . . 0.0 113.077 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -107.0 7.91 30.12 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 5.0 p -105.92 108.15 61.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.768 0.318 . . . . 0.0 111.169 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -56.98 -35.62 98.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.887 2.391 . . . . 0.0 112.448 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 10.2 t30 -67.93 -29.39 68.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.847 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 14.5 tp -70.84 -34.75 71.99 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.593 ' HD2' HD11 ' A' 1322 ' ' LEU . 3.1 mptp? -64.04 -46.15 85.69 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.349 0.595 . . . . 0.0 109.495 172.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 23.1 t -63.32 -39.06 93.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.807 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.23 -37.86 88.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.671 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1335 ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' 1256 ' ' LEU . 10.2 tt -67.56 -47.15 70.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1336 ' ' ALA . . . . . 0.606 ' O ' ' HD3' ' A' 1340 ' ' ARG . . . -56.98 -40.13 75.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.993 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -63.74 -43.49 96.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.45 ' O ' HG22 ' A' 1342 ' ' VAL . . . -67.72 -33.53 75.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.857 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1339 ' ' ALA . . . . . 0.524 ' HA ' HD21 ' A' 1315 ' ' LEU . . . -61.96 -36.92 82.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1340 ' ' ARG . . . . . 0.606 ' HD3' ' O ' ' A' 1336 ' ' ALA . 6.4 mpt_? -65.74 -36.83 84.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.234 176.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.02 91.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.764 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' 1346 ' ' ILE . 48.4 t -64.23 -52.21 58.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.334 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.7 m -60.84 -33.77 73.55 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.773 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -58.11 -58.2 9.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.339 176.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1345 ' ' SER . . . . . 0.429 ' CB ' ' HB ' ' A' 1308 ' ' ILE . 51.1 m -60.34 -35.29 75.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.396 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' 1342 ' ' VAL . 93.2 mt -62.31 -55.45 23.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 3.1 p30 -75.71 -29.19 58.88 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.292 -172.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -71.75 -35.08 70.0 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.65 178.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.97 -47.13 87.09 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' 1346 ' ' ILE . 35.1 mm -64.39 -36.97 78.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.953 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 92.8 m -62.58 -42.13 99.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 111.064 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 86.6 mtp -72.28 -49.9 31.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.057 0.456 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.523 ' HB3' ' HE3' ' A' 1288 ' ' MET . 70.1 m -75.46 -46.18 34.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.366 -173.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 4.4 m -87.74 24.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.596 0.712 . . . . 0.0 110.915 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -76.79 -13.55 60.01 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -59.46 119.25 7.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.716 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.688 178.651 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 7.3 tp -136.14 -32.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.909 0.355 . . . . 0.0 110.831 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -115.12 113.64 43.74 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.32 -32.83 94.9 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.032 2.488 . . . . 0.0 112.581 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 65.99 -177.07 0.19 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.624 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1205 ' ' THR . . . . . . . . . . . . . 2.8 m 64.82 27.34 12.95 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.338 0.59 . . . . 0.0 111.032 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.51 ' O ' HG21 ' A' 1209 ' ' VAL . 10.0 pt20 -174.5 -44.5 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.805 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -69.79 -18.13 63.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.485 0.66 . . . . 0.0 109.839 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.23 -46.44 54.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.653 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' 1206 ' ' GLN . 29.2 m -63.9 -30.05 48.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 121.062 0.458 . . . . 0.0 110.818 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.81 -41.67 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.158 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.36 -36.8 81.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.228 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1212 ' ' ALA . . . . . 0.438 ' O ' HG21 ' A' 1216 ' ' VAL . . . -59.25 -49.32 78.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.27 176.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1213 ' ' LEU . . . . . 0.423 HD22 ' HB2' ' A' 1316 ' ' LEU . 33.2 mt -64.16 -38.85 92.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.755 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -57.85 -45.91 85.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.232 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.76 79.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' 1212 ' ' ALA . 96.6 t -58.92 -42.66 86.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.795 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.29 -46.79 92.13 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.42 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -64.45 -43.49 94.12 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.667 0.27 . . . . 0.0 110.63 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1219 ' ' ALA . . . . . 0.612 ' HB3' HD22 ' A' 1282 ' ' LEU . . . -62.18 -50.96 69.73 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.608 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 41.6 m -62.29 -40.92 97.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.837 0.351 . . . . 0.0 111.178 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 83.8 tttt -67.72 -45.22 75.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.056 0.455 . . . . 0.0 110.846 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1222 ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' 1222 ' ' ARG . 37.8 ttp-105 -78.29 -50.36 11.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.742 -176.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.501 ' O ' HG21 ' A' 1286 ' ' VAL . 97.2 mt -81.25 -10.78 59.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -168.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -26.74 59.29 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.209 0.528 . . . . 0.0 109.863 170.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 50.0 m 70.22 98.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.288 171.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 27.4 t70 -73.63 -25.0 60.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.499 170.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 87.7 mt -109.5 -167.13 1.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.377 -1.283 . . . . 0.0 109.691 176.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 95.4 mt -99.15 126.42 38.11 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.638 0.256 . . . . 0.0 110.631 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1229 ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' 1230 ' ' PRO . 31.7 Cg_exo -61.49 126.08 18.34 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.75 2.3 . . . . 0.0 111.59 176.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1230 ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 25.8 Cg_exo -63.06 155.14 62.77 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.127 2.551 . . . . 0.0 112.607 -176.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1231 ' ' SER . . . . . 0.588 ' HA ' HE22 ' A' 1291 ' ' GLN . 20.0 m -77.27 84.47 3.72 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.788 178.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 20.6 m -71.04 -22.56 62.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.785 0.802 . . . . 0.0 109.381 173.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -172.03 174.44 45.34 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.59 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 28.0 p -68.32 166.99 15.4 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.803 0.302 . . . . 0.0 110.257 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 42.6 p90 -62.26 -29.81 70.67 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.494 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -70.41 -42.17 72.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.422 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.18 -42.72 99.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.965 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.53 71.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.008 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.1 -46.34 87.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 32.5 p -65.65 -36.73 84.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.003 0.43 . . . . 0.0 110.337 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 17.2 ttp-105 -69.11 -40.91 78.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.419 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.551 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 37.0 tp -61.63 -44.17 97.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.156 174.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -57.98 -43.54 86.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.236 177.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.58 -48.04 79.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.29 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1245 ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' 1281 ' ' PHE . . . -63.89 -36.48 84.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.03 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -62.02 -49.14 77.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.23 -38.69 80.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.436 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.39 -47.88 74.62 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.21 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1249 ' ' LEU . . . . . 0.431 HD12 ' HB2' ' A' 1252 ' ' ALA . 33.6 tp -69.48 -32.66 71.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.654 0.264 . . . . 0.0 110.823 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -57.69 -44.73 86.02 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.054 0.454 . . . . 0.0 109.986 173.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1251 ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' 1255 ' ' GLU . 24.4 tt0 -69.62 -37.21 76.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.24 177.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1252 ' ' ALA . . . . . 0.809 ' HB3' ' HA ' ' A' 1274 ' ' PHE . . . -58.32 -44.46 88.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.946 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1253 ' ' ALA . . . . . 0.536 ' O ' HG21 ' A' 1257 ' ' VAL . . . -64.69 -39.19 93.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.946 175.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1254 ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' 1251 ' ' GLN . 98.9 m -58.56 -46.82 86.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.805 176.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' 1251 ' ' GLN . 10.3 mm-40 -55.28 -47.77 75.03 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.384 176.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1256 ' ' LEU . . . . . 0.55 ' HA ' ' HB3' ' A' 1270 ' ' ALA . 19.0 tp -62.14 -44.56 96.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.571 -178.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1257 ' ' VAL . . . . . 0.536 HG21 ' O ' ' A' 1253 ' ' ALA . 98.9 t -57.24 -51.92 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 120.671 0.272 . . . . 0.0 111.007 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.81 -44.4 96.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.958 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -66.7 -36.5 82.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.86 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1260 ' ' SER . . . . . . . . . . . . . 48.7 m -68.29 -19.4 64.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.065 0.46 . . . . 0.0 111.536 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -101.7 11.74 38.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.086 0.469 . . . . 0.0 109.908 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.14 -93.53 1.11 Allowed Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.111 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 15.5 p -133.21 155.16 81.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.539 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -57.13 -33.45 95.86 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.232 2.622 . . . . 0.0 112.077 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -70.88 -42.8 69.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.049 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -70.81 -36.96 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 63.5 tp -55.47 -42.42 74.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.759 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.04 75.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -58.82 -41.31 86.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 109.851 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1270 ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' 1256 ' ' LEU . . . -63.73 -35.59 81.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.445 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 22.2 m -61.88 -47.7 83.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.408 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -66.42 -37.58 92.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.638 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1273 ' ' ARG . . . . . 0.458 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 12.4 tpp180 -55.51 -57.84 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 110.732 174.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1274 ' ' PHE . . . . . 0.809 ' HA ' ' HB3' ' A' 1252 ' ' ALA . 71.9 t80 -60.92 -45.92 92.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.525 -174.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.57 -34.29 89.07 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.516 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1276 ' ' GLN . . . . . 0.441 HE21 ' HB3' ' A' 1276 ' ' GLN . 1.0 OUTLIER -70.24 -50.59 38.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.736 0.303 . . . . 0.0 110.603 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.25 -32.28 73.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.17 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.601 ' HE1' ' HA ' ' A' 1309 ' ' SER . 81.7 t80 -59.97 -46.12 90.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.802 176.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1279 ' ' SER . . . . . 0.522 ' O ' ' HG3' ' A' 1283 ' ' GLU . 22.8 t -58.05 -49.67 76.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.21 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 23.3 m -59.42 -42.41 91.76 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.029 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1281 ' ' PHE . . . . . 0.511 ' HA ' ' HB3' ' A' 1245 ' ' ALA . 76.9 t80 -62.2 -48.76 78.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.855 178.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' 1219 ' ' ALA . 24.2 tp -64.29 -38.94 92.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.987 -176.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1283 ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' 1279 ' ' SER . 44.1 mt-10 -60.53 -41.2 93.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.7 0.286 . . . . 0.0 110.898 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -75.91 -38.63 57.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.957 0.408 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.11 -46.84 93.17 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.556 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.501 HG21 ' O ' ' A' 1223 ' ' LEU . 7.6 p -74.1 -24.04 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 122.575 -0.368 . . . . 0.0 110.62 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1287 ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' 1291 ' ' GLN . 38.6 tt0 -58.41 -49.78 76.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.137 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.513 ' HE3' ' HB3' ' A' 1353 ' ' CYS . 22.2 ptm -72.76 -26.86 61.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 110.414 178.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1289 ' ' ALA . . . . . 0.437 ' HA ' HG13 ' A' 1301 ' ' VAL . . . -65.11 -29.01 69.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -82.36 -10.27 83.81 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.318 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.588 HE22 ' HA ' ' A' 1231 ' ' SER . 46.9 mm-40 -93.22 -7.57 44.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 110.23 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -67.39 119.3 64.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.317 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -69.01 -31.9 22.83 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.916 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1294 ' ' SER . . . . . 0.456 ' HB2' ' HB2' ' A' 1297 ' ' ASP . 22.8 m -101.19 134.48 44.16 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.307 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.54 -39.53 88.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.113 0.482 . . . . 0.0 110.067 178.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.96 -29.92 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.323 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1297 ' ' ASP . . . . . 0.456 ' HB2' ' HB2' ' A' 1294 ' ' SER . 11.8 t70 -74.7 -36.99 62.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.657 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.458 ' O ' HG22 ' A' 1302 ' ' VAL . 50.2 ttt180 -64.75 -41.54 95.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.043 176.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -55.65 -35.7 66.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.033 0.444 . . . . 0.0 110.779 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1300 ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' 1297 ' ' ASP . 27.4 tt0 -59.96 -50.62 73.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.83 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.499 ' HA ' ' ND2' ' A' 1304 ' ' ASN . 7.7 p -76.52 -30.44 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.998 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.493 ' HA ' HD12 ' A' 1305 ' ' LEU . 61.5 t -63.99 -35.19 72.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 120.758 0.313 . . . . 0.0 110.244 175.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 69.8 m -60.53 -41.88 95.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.946 0.403 . . . . 0.0 110.352 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1304 ' ' ASN . . . . . 0.662 ' CB ' ' HG ' ' A' 1349 ' ' LEU . 33.2 m-20 -63.93 -45.39 89.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.613 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' 1302 ' ' VAL . 93.2 mt -58.47 -51.38 70.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.025 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -58.57 -45.73 88.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.738 0.304 . . . . 0.0 110.711 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -55.07 -50.8 57.7 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.588 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1308 ' ' ILE . . . . . 0.442 HG23 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -74.28 -39.59 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.893 -178.249 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1309 ' ' SER . . . . . 0.601 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 49.0 m -62.01 -50.16 73.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.63 0.252 . . . . 0.0 111.181 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1310 ' ' MET . . . . . . . . . . . . . 54.2 mtt -64.64 -40.03 94.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.885 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1311 ' ' SER . . . . . 0.542 ' HA ' ' HD2' ' A' 1314 ' ' LYS . 51.4 m -63.46 -35.03 79.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.623 0.249 . . . . 0.0 110.839 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 62.2 m -65.5 -40.53 93.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.526 0.679 . . . . 0.0 110.135 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.56 ' O ' ' HG ' ' A' 1317 ' ' LEU . 45.5 t -59.99 -52.78 63.9 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.229 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.542 ' HD2' ' HA ' ' A' 1311 ' ' SER . 51.1 mttm -57.42 -39.86 77.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.109 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1315 ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' 1339 ' ' ALA . 34.8 tp -59.45 -48.09 82.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.009 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.423 ' HB2' HD22 ' A' 1213 ' ' LEU . 96.2 mt -70.28 -26.73 63.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.484 -177.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' 1313 ' ' SER . 94.0 mt -59.51 -41.72 90.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.978 0.418 . . . . 0.0 109.912 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.03 -38.57 75.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.687 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.98 99.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -58.4 -47.98 82.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.348 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.36 68.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.0 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.54 HD11 ' HZ2' ' A' 1332 ' ' LYS . 28.8 tp -76.63 -26.28 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.306 -177.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 98.4 p -74.21 -23.85 59.25 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.382 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 11.2 t -95.14 -26.29 16.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1325 ' ' ASP . . . . . 0.439 ' O ' HD12 ' A' 1322 ' ' LEU . 12.0 t70 -134.02 90.69 25.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.304 175.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -91.01 19.69 1.08 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.755 2.303 . . . . 0.0 112.287 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -104.16 -45.39 4.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.738 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 42.4 m -59.16 113.41 6.83 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.985 -174.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -64.66 -32.18 58.09 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.68 2.254 . . . . 0.0 111.746 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 46.8 t30 -60.51 -38.71 85.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.159 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 17.3 tp -68.27 -37.27 80.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.29 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.54 ' HZ2' HD11 ' A' 1322 ' ' LEU . 5.0 mptp? -61.23 -50.04 74.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.963 0.411 . . . . 0.0 110.28 173.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 13.2 t -63.7 -39.2 93.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.832 -177.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -61.62 -47.78 83.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.83 0.348 . . . . 0.0 110.494 177.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.19 -47.71 84.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.937 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.39 -39.68 80.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.79 -42.84 80.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.023 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' 1342 ' ' VAL . . . -66.63 -39.09 88.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.764 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1339 ' ' ALA . . . . . 0.547 ' HA ' HD23 ' A' 1315 ' ' LEU . . . -61.35 -42.18 98.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.671 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -62.44 -38.9 91.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.082 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.96 91.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.557 ' O ' HG13 ' A' 1346 ' ' ILE . 91.8 t -62.78 -52.43 59.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.076 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1343 ' ' THR . . . . . 0.461 ' HA ' HD11 ' A' 1346 ' ' ILE . 79.3 m -60.17 -38.56 83.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.58 -42.96 89.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.805 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 18.5 m -73.92 -34.58 64.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.897 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' 1342 ' ' VAL . 95.3 mt -59.36 -54.86 28.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.817 0.342 . . . . 0.0 110.821 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 8.9 p30 -70.68 -28.37 64.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.278 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.64 -44.13 96.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.086 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.74 HD23 ' HG ' ' A' 1353 ' ' CYS . 2.3 tt -62.04 -48.33 80.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.551 ' CD1' ' HG ' ' A' 1242 ' ' LEU . 43.2 mm -61.37 -55.39 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.077 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 33.3 m -61.86 -38.54 88.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.917 -175.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 27.4 ttt -74.05 -33.82 63.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.772 0.32 . . . . 0.0 111.178 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.74 ' HG ' HD23 ' A' 1349 ' ' LEU . 93.2 m -84.42 -27.14 27.79 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 10.7 t -77.8 -12.27 59.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.522 0.677 . . . . 0.0 109.83 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -79.51 102.39 8.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.528 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -86.54 -4.48 59.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.254 0.55 . . . . 0.0 110.009 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.448 -0.787 . . . . 0.0 110.085 174.795 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 112.039 -0.424 . . . . 0.0 112.039 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 8.2 tp -61.49 -29.82 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 120.811 0.339 . . . . 0.0 111.167 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -113.1 146.61 35.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.429 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.34 121.29 8.24 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.288 1.992 . . . . 0.0 110.953 173.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -97.94 83.43 3.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.033 0.444 . . . . 0.0 110.626 -176.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1205 ' ' THR . . . . . 0.505 ' HA ' ' HB1' ' A' 1268 ' ' ALA . 31.3 m -110.26 -51.97 2.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.562 175.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.535 ' O ' HG21 ' A' 1209 ' ' VAL . 89.7 mt-30 -70.86 -28.64 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.521 177.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -56.29 -53.03 62.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.454 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.2 -24.06 64.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -173.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.535 HG21 ' O ' ' A' 1206 ' ' GLN . 10.6 m -81.33 -29.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 119.806 -0.757 . . . . 0.0 109.493 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 20.3 t70 -82.64 -41.53 19.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.584 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -63.65 -38.17 90.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.827 178.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1212 ' ' ALA . . . . . 0.42 ' O ' HG21 ' A' 1216 ' ' VAL . . . -60.18 -45.63 92.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.191 176.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1213 ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' 1209 ' ' VAL . 61.7 mt -61.95 -38.29 87.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.738 177.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1214 ' ' ARG . . . . . 0.435 ' HA ' ' NE ' ' A' 1214 ' ' ARG . 0.0 OUTLIER -59.79 -48.14 82.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.997 177.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.57 77.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.194 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.47 HG13 ' CE2' ' A' 1278 ' ' PHE . 89.9 t -63.15 -54.38 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.45 -43.83 96.14 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.975 -0.557 . . . . 0.0 113.033 -174.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.01 -46.58 77.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.715 0.293 . . . . 0.0 111.392 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.44 91.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.537 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1220 ' ' SER . . . . . 0.585 ' HA ' HD21 ' A' 1282 ' ' LEU . 30.3 t -57.05 -38.17 72.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.059 -178.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 61.7 mttp -78.84 -52.02 8.91 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 48.9 mtm105 -77.11 -31.95 56.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.458 ' HB3' HG21 ' A' 1286 ' ' VAL . 60.2 mt -71.06 -55.48 8.15 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.389 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1224 ' ' LEU . . . . . 0.507 ' O ' HD13 ' A' 1224 ' ' LEU . 1.0 OUTLIER -94.5 63.99 3.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 122.095 0.95 . . . . 0.0 110.957 -177.134 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 28.7 t -167.53 -52.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.869 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -90.28 59.32 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.714 -178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1227 ' ' LEU . . . . . 0.493 ' HG ' ' N ' ' A' 1228 ' ' LEU . 45.5 tp 67.52 168.89 0.26 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 123.79 0.681 . . . . 0.0 111.344 177.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1228 ' ' LEU . . . . . 0.493 ' N ' ' HG ' ' A' 1227 ' ' LEU . 3.3 pp -70.84 159.57 84.96 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.071 175.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1229 ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' 1228 ' ' LEU . 53.4 Cg_endo -69.95 130.89 19.88 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.201 1.934 . . . . 0.0 112.259 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -63.06 107.52 0.65 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.59 2.194 . . . . 0.0 110.557 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 34.8 t -153.01 145.88 24.47 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.774 -171.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 18.9 m -80.93 84.91 6.31 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.986 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 168.8 -90.49 0.1 OUTLIER Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.95 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1234 ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' 1291 ' ' GLN . 67.9 p 52.28 20.75 1.45 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.678 0.791 . . . . 0.0 112.608 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1235 ' ' PHE . . . . . 0.719 ' HD1' ' HB2' ' A' 1291 ' ' GLN . 90.8 t80 -174.29 134.31 0.42 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 175.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1236 ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' 1235 ' ' PHE . 7.4 tt0 69.04 -47.15 0.57 Allowed 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.842 0.714 . . . . 0.0 110.924 -174.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1237 ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' 1235 ' ' PHE . 2.5 tm-20 -58.1 -41.55 83.73 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.49 0.662 . . . . 0.0 109.824 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -74.54 -24.78 59.01 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.51 -172.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1239 ' ' GLN . . . . . 0.553 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 42.4 tt0 -71.94 -58.66 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.362 -171.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.3 m -65.26 -31.11 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.186 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -67.68 -43.96 78.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.816 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.546 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 61.2 tp -68.21 -41.64 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.695 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -57.69 -36.69 72.29 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.195 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.3 -52.13 37.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.462 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.91 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.46 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1246 ' ' ALA . . . . . 0.645 ' HB2' HD13 ' A' 1350 ' ' ILE . . . -56.78 -53.16 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.271 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -64.73 -37.91 89.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.852 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.31 -47.71 77.04 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.409 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 29.2 tp -70.92 -36.19 72.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.64 0.257 . . . . 0.0 110.837 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1250 ' ' ASN . . . . . 0.465 ' OD1' ' HA ' ' A' 1343 ' ' THR . 20.2 m-20 -60.81 -41.75 96.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 110.368 175.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1251 ' ' GLN . . . . . 0.482 ' O ' ' HB ' ' A' 1254 ' ' THR . 0.9 OUTLIER -67.89 -37.69 82.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.89 177.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.26 99.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.834 0.349 . . . . 0.0 110.83 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.78 94.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.325 0.583 . . . . 0.0 109.918 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1254 ' ' THR . . . . . 0.482 ' HB ' ' O ' ' A' 1251 ' ' GLN . 94.7 m -58.52 -38.81 78.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.753 176.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' 1251 ' ' GLN . 38.3 mt-10 -63.71 -38.8 92.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.014 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.41 -33.33 75.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.579 0.228 . . . . 0.0 110.56 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 43.6 t -68.39 -42.93 84.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.071 0.462 . . . . 0.0 110.142 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1258 ' ' GLN . . . . . 0.561 ' HA ' ' CZ ' ' A' 1261 ' ' ARG . 27.3 mt-30 -66.73 -33.6 75.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.75 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -78.89 -27.6 43.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.004 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1260 ' ' SER . . . . . 0.532 ' OG ' ' HA ' ' A' 1332 ' ' LYS . 35.1 t -52.97 -55.04 26.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.826 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1261 ' ' ARG . . . . . 0.561 ' CZ ' ' HA ' ' A' 1258 ' ' GLN . 1.7 ppt_? -95.62 32.75 1.75 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.549 0.69 . . . . 0.0 110.35 176.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -119.73 -98.87 1.77 Allowed Glycine 0 N--CA 1.436 -1.341 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 80.5 p -147.89 154.89 44.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.932 0.366 . . . . 0.0 110.994 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1264 ' ' PRO . . . . . 0.709 ' HA ' HD12 ' A' 1267 ' ' LEU . 45.0 Cg_exo -58.68 -32.39 96.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.737 2.291 . . . . 0.0 111.23 173.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -61.71 -38.64 88.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.399 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.13 -32.8 38.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.194 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' 1264 ' ' PRO . 57.9 mt -55.53 -42.55 74.72 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 174.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1268 ' ' ALA . . . . . 0.505 ' HB1' ' HA ' ' A' 1205 ' ' THR . . . -59.62 -51.6 69.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.133 0.492 . . . . 0.0 110.421 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -54.35 -47.84 72.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.457 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.74 98.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.091 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 44.4 m -56.32 -43.6 79.16 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.963 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -61.0 -47.47 91.12 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.721 -175.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -71.92 -38.97 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.546 -0.385 . . . . 0.0 110.985 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1274 ' ' PHE . . . . . 0.492 ' HD2' HD22 ' A' 1316 ' ' LEU . 67.6 t80 -60.67 -48.05 83.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.783 0.325 . . . . 0.0 110.5 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -68.3 -40.43 87.35 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.686 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -68.32 -46.62 69.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.624 0.25 . . . . 0.0 111.311 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.19 -30.0 67.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.447 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.47 ' CE2' HG13 ' A' 1216 ' ' VAL . 70.4 t80 -57.32 -38.12 73.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.622 176.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1279 ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' 1283 ' ' GLU . 8.1 t -58.93 -44.7 91.41 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 25.4 m -66.12 -41.54 90.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1281 ' ' PHE . . . . . 0.4 ' HE2' HG23 ' A' 1308 ' ' ILE . 77.8 t80 -60.45 -49.55 77.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.246 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.585 HD21 ' HA ' ' A' 1220 ' ' SER . 34.1 tp -64.09 -38.44 91.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.372 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1283 ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' 1279 ' ' SER . 43.0 mt-10 -56.24 -45.27 80.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.707 0.289 . . . . 0.0 110.772 177.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.03 77.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.123 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1285 ' ' GLY . . . . . 0.496 ' HA3' HD23 ' A' 1305 ' ' LEU . . . -67.33 -43.06 89.35 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.216 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' 1223 ' ' LEU . 21.5 t -71.37 -31.53 43.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.099 0.476 . . . . 0.0 110.093 178.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -58.86 -47.96 83.05 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.466 175.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.801 ' HE1' ' HA ' ' A' 1353 ' ' CYS . 13.7 ptm -70.94 -23.78 62.3 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.416 -176.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -60.4 -19.25 55.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.946 0.403 . . . . 0.0 110.498 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -76.05 -32.51 52.59 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.484 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.719 ' HB2' ' HD1' ' A' 1235 ' ' PHE . 18.1 pt20 -85.56 7.01 24.67 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.132 0.491 . . . . 0.0 110.786 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -100.2 105.31 35.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.472 171.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.1 -35.43 2.4 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.723 2.282 . . . . 0.0 113.25 -176.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1294 ' ' SER . . . . . 0.616 ' HB2' ' HB3' ' A' 1297 ' ' ASP . 15.2 m -74.91 140.0 43.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.609 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -40.79 81.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.551 -174.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -80.11 -32.14 39.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.067 0.46 . . . . 0.0 110.236 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1297 ' ' ASP . . . . . 0.616 ' HB3' ' HB2' ' A' 1294 ' ' SER . 32.6 t70 -64.08 -40.92 97.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.568 173.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.49 ' O ' HG22 ' A' 1302 ' ' VAL . 38.9 ttm180 -67.38 -40.05 85.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.856 175.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.29 76.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.07 -46.78 85.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.037 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.525 ' HA ' ' ND2' ' A' 1304 ' ' ASN . 4.7 p -69.52 -34.75 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.829 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.541 ' HA ' HD12 ' A' 1305 ' ' LEU . 98.3 t -66.43 -32.74 59.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.982 0.42 . . . . 0.0 110.65 176.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 46.4 m -64.89 -40.13 94.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.408 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1304 ' ' ASN . . . . . 0.544 ' HB3' ' HG ' ' A' 1349 ' ' LEU . 54.5 m-20 -60.18 -43.07 96.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.666 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' 1302 ' ' VAL . 94.4 mt -56.53 -51.93 66.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.871 -1.058 . . . . 0.0 111.024 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -59.51 -48.35 82.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.663 0.268 . . . . 0.0 110.34 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -50.65 -49.11 41.46 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.906 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1308 ' ' ILE . . . . . 0.422 HD12 ' O ' ' A' 1308 ' ' ILE . 0.0 OUTLIER -78.22 -34.26 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 122.667 -0.313 . . . . 0.0 110.886 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 63.3 m -62.46 -48.18 80.78 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.959 0.409 . . . . 0.0 110.922 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.541 ' O ' ' HG3' ' A' 1314 ' ' LYS . 0.2 OUTLIER -65.34 -42.89 92.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.692 178.715 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.9 m -62.64 -38.61 90.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.796 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 42.1 t -60.99 -44.08 97.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.7 0.762 . . . . 0.0 109.217 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.59 ' O ' ' HG ' ' A' 1317 ' ' LEU . 52.3 m -60.36 -49.67 76.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.685 175.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' 1310 ' ' MET . 65.1 mttm -58.78 -39.99 82.68 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.186 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1315 ' ' LEU . . . . . 0.578 HD21 ' HA ' ' A' 1339 ' ' ALA . 42.0 tp -62.49 -47.74 82.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.492 HD22 ' HD2' ' A' 1274 ' ' PHE . 80.9 mt -65.9 -30.07 70.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.921 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' 1313 ' ' SER . 91.7 mt -65.37 -39.52 92.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.34 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.09 -39.31 86.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.225 175.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.09 95.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.944 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -56.21 -52.45 64.37 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.998 0.428 . . . . 0.0 110.477 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.29 82.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.765 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1322 ' ' LEU . . . . . . . . . . . . . 34.4 tp -72.7 -26.52 61.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.044 0.449 . . . . 0.0 110.817 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 51.1 m -76.81 -25.92 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.956 0.408 . . . . 0.0 110.629 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 13.9 p -90.73 -30.58 16.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.087 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -131.68 74.72 77.46 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.26 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1326 ' ' PRO . . . . . 0.491 ' HB3' ' HG3' ' A' 1264 ' ' PRO . 69.2 Cg_endo -78.75 -5.9 14.95 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.579 2.186 . . . . 0.0 113.254 -174.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -97.08 10.55 39.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.839 0.352 . . . . 0.0 110.941 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 17.9 t -98.53 104.85 26.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1329 ' ' PRO . . . . . 0.493 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 27.2 Cg_exo -63.25 -27.73 72.39 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.101 2.534 . . . . 0.0 112.847 -175.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 44.3 t30 -60.94 -38.04 84.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1331 ' ' LEU . . . . . 0.466 ' HA ' ' HB3' ' A' 1334 ' ' GLN . 10.9 mp -66.67 -26.13 66.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.604 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.532 ' HA ' ' OG ' ' A' 1260 ' ' SER . 1.3 mptm? -63.32 -50.46 69.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.701 0.286 . . . . 0.0 110.641 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 3.8 p -74.27 -31.55 62.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.084 0.468 . . . . 0.0 110.595 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1334 ' ' GLN . . . . . 0.466 ' HB3' ' HA ' ' A' 1331 ' ' LEU . 26.8 tt0 -60.42 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.263 176.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1335 ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' 1260 ' ' SER . 9.8 tt -64.16 -43.48 95.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.029 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.48 78.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.121 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.92 85.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.861 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.94 -36.94 84.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.597 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1339 ' ' ALA . . . . . 0.578 ' HA ' HD21 ' A' 1315 ' ' LEU . . . -61.84 -43.36 98.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.755 177.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -63.43 -34.21 77.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.666 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.89 92.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.366 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' 1338 ' ' ALA . 50.0 t -66.02 -51.63 58.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.887 175.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1343 ' ' THR . . . . . 0.465 ' HA ' ' OD1' ' A' 1250 ' ' ASN . 88.1 m -53.93 -49.64 68.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.379 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.71 -44.64 90.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.313 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 19.5 m -66.03 -36.54 83.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1346 ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.69 -48.49 87.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.116 0.484 . . . . 0.0 109.888 174.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -55.89 -48.9 74.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.04 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.32 -24.49 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.513 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' 1304 ' ' ASN . 0.7 OUTLIER -71.42 -40.4 70.46 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.161 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.645 HD13 ' HB2' ' A' 1246 ' ' ALA . 43.8 mm -69.12 -36.07 71.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.593 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 29.8 m -57.89 -34.79 70.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.283 0.563 . . . . 0.0 110.414 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.9 tpt -78.62 -27.81 45.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.454 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.801 ' HA ' ' HE1' ' A' 1288 ' ' MET . 26.0 t -79.63 -51.32 9.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.142 -176.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 21.2 p -91.89 90.07 7.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.267 0.556 . . . . 0.0 110.736 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -85.61 58.05 4.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.075 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -169.76 107.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.591 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.47 -179.475 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 112.021 -0.432 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 23.3 pt -109.53 23.98 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.137 0.494 . . . . 0.0 110.218 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -54.08 119.35 19.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.003 -0.998 . . . . 0.0 111.192 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.22 97.85 1.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.986 2.457 . . . . 0.0 111.471 175.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1204 ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' 1208 ' ' ASP . 44.6 p90 -80.41 -8.15 59.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.95 0.405 . . . . 0.0 110.798 -178.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1205 ' ' THR . . . . . 0.49 ' O ' ' HG2' ' A' 1206 ' ' GLN . 1.0 OUTLIER -61.35 110.91 1.56 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 177.658 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.506 ' O ' HG22 ' A' 1209 ' ' VAL . 4.0 pt20 72.06 -29.62 0.2 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.66 1.184 . . . . 0.0 111.83 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.432 ' H ' ' C ' ' A' 1205 ' ' THR . 32.6 ttm180 -72.24 -20.36 61.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.743 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1208 ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' 1204 ' ' PHE . 4.6 t0 -61.86 -22.32 65.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.518 ' HA ' ' HB3' ' A' 1271 ' ' SER . 11.6 m -68.13 -32.2 54.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.113 0.482 . . . . 0.0 110.187 176.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -82.65 -36.48 25.98 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.274 0.559 . . . . 0.0 109.901 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 24.1 t30 -55.97 -42.57 76.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.959 173.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1212 ' ' ALA . . . . . 0.462 ' O ' HG21 ' A' 1216 ' ' VAL . . . -59.95 -46.28 89.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.128 176.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1213 ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' 1209 ' ' VAL . 83.3 mt -60.7 -36.57 79.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -65.05 -41.85 94.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.913 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.77 96.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.945 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.649 HG12 ' HG ' ' A' 1313 ' ' SER . 50.9 t -61.12 -35.11 63.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.176 0.512 . . . . 0.0 110.106 176.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -69.91 -39.75 74.88 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.141 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1218 ' ' ASP . . . . . 0.571 ' HA ' ' CE ' ' A' 1221 ' ' LYS . 44.2 m-20 -65.0 -45.19 86.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.672 0.272 . . . . 0.0 110.925 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1219 ' ' ALA . . . . . 0.562 ' HB1' HD22 ' A' 1282 ' ' LEU . . . -61.63 -43.28 99.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1220 ' ' SER . . . . . 0.47 ' HA ' HD22 ' A' 1224 ' ' LEU . 3.7 p -65.04 -39.88 93.98 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.148 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1221 ' ' LYS . . . . . 0.571 ' CE ' ' HA ' ' A' 1218 ' ' ASP . 52.9 mtmt -62.82 -49.81 73.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.777 0.323 . . . . 0.0 111.729 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 36.0 mtm-85 -78.84 -8.64 58.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.697 ' HB3' HG11 ' A' 1286 ' ' VAL . 70.3 mt -126.91 -53.92 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1224 ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' 1220 ' ' SER . 4.0 mm? -67.78 115.6 7.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.132 0.491 . . . . 0.0 111.543 -173.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 29.2 m 71.43 5.14 5.32 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.318 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 32.2 t70 -79.65 120.21 23.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 84.9 mt -70.72 104.69 2.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.986 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 2.7 pp -77.35 156.68 81.21 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.126 -175.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1229 ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.12 152.63 81.65 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.771 2.314 . . . . 0.0 111.439 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -67.78 80.03 0.49 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.704 2.269 . . . . 0.0 112.101 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 14.5 m -104.56 154.25 20.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.873 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 6.3 t -106.26 92.34 4.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.135 0.969 . . . . 0.0 110.942 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -90.19 118.68 5.35 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.958 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1234 ' ' THR . . . . . 0.42 ' O ' ' HB3' ' A' 1237 ' ' GLU . 0.2 OUTLIER -63.22 149.72 44.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.679 0.276 . . . . 0.0 110.633 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 83.6 t80 -54.34 -61.57 2.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.861 -175.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1236 ' ' GLN . . . . . 0.489 ' HA ' ' HB3' ' A' 1239 ' ' GLN . 36.1 tt0 -71.13 -21.66 62.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.677 -176.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1237 ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' 1234 ' ' THR . 14.7 tp10 -59.15 -52.79 64.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.212 175.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -74.53 -34.35 62.99 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.208 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1239 ' ' GLN . . . . . 0.489 ' HB3' ' HA ' ' A' 1236 ' ' GLN . 60.1 tt0 -59.28 -53.72 55.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.968 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 19.3 m -66.92 -38.88 87.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -60.2 -44.86 94.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.256 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.425 HD22 ' SD ' ' A' 1288 ' ' MET . 30.7 tp -58.96 -48.59 80.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.66 175.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -60.65 -42.06 96.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.689 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.98 -39.6 95.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -73.16 -39.87 65.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -60.51 -50.36 73.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.956 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.66 -38.46 75.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.33 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.49 -33.74 63.86 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.081 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 30.0 tp -74.99 -31.4 61.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -57.43 -50.33 73.35 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.089 0.471 . . . . 0.0 110.978 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1251 ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' 1255 ' ' GLU . 0.0 OUTLIER -70.94 -32.5 69.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.169 -178.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -59.21 -46.51 88.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1253 ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' 1257 ' ' VAL . . . -64.81 -39.87 94.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.2 0.524 . . . . 0.0 110.025 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 98.7 m -59.02 -34.81 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.395 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' 1251 ' ' GLN . 34.4 mt-10 -67.46 -41.12 85.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.857 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 39.4 mt -60.66 -38.76 85.97 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.846 0.355 . . . . 0.0 110.201 175.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1257 ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' 1253 ' ' ALA . 65.6 t -61.31 -50.31 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.261 179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -74.07 -38.39 63.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.246 -174.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -68.59 -26.9 65.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.891 0.377 . . . . 0.0 111.191 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1260 ' ' SER . . . . . 0.401 ' HB3' ' HD2' ' A' 1261 ' ' ARG . 39.2 t -52.68 -34.55 52.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.473 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1261 ' ' ARG . . . . . 0.492 HH22 ' HB2' ' A' 1336 ' ' ALA . 5.5 mpt_? -108.08 16.92 22.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -147.21 -111.86 0.68 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.775 -1.202 . . . . 0.0 113.606 -176.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1263 ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 0.1 OUTLIER -80.49 123.08 83.06 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-O 121.373 0.606 . . . . 0.0 112.24 -171.357 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1264 ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' 1263 ' ' THR . 19.1 Cg_exo -68.08 -34.94 21.26 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.562 2.841 . . . . 0.0 112.383 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -68.55 -31.8 71.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.41 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -45.16 75.53 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.252 174.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 39.1 tp -52.47 -50.39 62.8 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.606 0.566 . . . . 0.0 110.558 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1268 ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' 1208 ' ' ASP . . . -63.97 -51.17 65.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.108 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -61.06 -34.29 74.66 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 111.095 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.8 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.577 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1271 ' ' SER . . . . . 0.518 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 20.8 m -67.49 -51.69 48.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.634 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -64.18 -37.86 95.13 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.753 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -66.27 -47.51 73.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.86 0.362 . . . . 0.0 110.419 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1274 ' ' PHE . . . . . 0.455 ' HZ ' HG13 ' A' 1342 ' ' VAL . 89.2 t80 -59.33 -48.33 82.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.765 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.67 -38.91 97.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.666 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.65 -46.93 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.777 -0.249 . . . . 0.0 111.081 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.76 -35.27 80.03 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.696 0.284 . . . . 0.0 110.642 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.528 ' CE2' HG11 ' A' 1216 ' ' VAL . 47.9 t80 -60.13 -43.76 95.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.535 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 50.8 m -57.93 -48.12 80.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.171 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 21.4 m -61.82 -41.26 97.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.886 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1281 ' ' PHE . . . . . 0.454 ' HE2' HG23 ' A' 1308 ' ' ILE . 84.7 t80 -61.68 -47.63 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.574 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.562 HD22 ' HB1' ' A' 1219 ' ' ALA . 23.7 tp -65.64 -36.56 84.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.382 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1283 ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' 1287 ' ' GLU . 43.3 mt-10 -63.58 -43.45 96.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.707 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1284 ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' 1287 ' ' GLU . . . -65.03 -30.89 71.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.997 0.427 . . . . 0.0 110.381 176.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.04 -45.79 95.88 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.281 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.697 HG11 ' HB3' ' A' 1223 ' ' LEU . 13.3 m -74.62 -24.3 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 122.518 -0.401 . . . . 0.0 110.509 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1287 ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' A' 1283 ' ' GLU . 6.9 mm-40 -56.98 -52.5 64.98 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 173.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.475 ' HA ' ' HG3' ' A' 1291 ' ' GLN . 17.6 ptm -75.54 -26.87 58.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.09 71.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.104 0.478 . . . . 0.0 110.13 176.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -80.26 -11.4 84.35 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.756 -0.656 . . . . 0.0 113.07 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.475 ' HG3' ' HA ' ' A' 1288 ' ' MET . 1.2 pp0? -104.38 6.36 35.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.38 0.59 . . . . 0.0 111.044 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1292 ' ' ALA . . . . . 0.42 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -75.83 116.59 56.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.117 178.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1293 ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 34.9 Cg_exo -60.3 -41.61 48.96 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.927 2.418 . . . . 0.0 112.285 -177.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 59.1 m -107.59 138.8 43.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.412 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1295 ' ' GLN . . . . . 0.531 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 23.0 mt-30 -68.57 -17.35 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.941 -177.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.28 -46.33 87.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 173.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.81 -35.28 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.179 0.514 . . . . 0.0 109.831 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.531 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 38.4 ttt180 -63.98 -45.81 87.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.146 178.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -73.83 -29.2 62.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.773 0.321 . . . . 0.0 110.568 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.73 -50.81 69.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.787 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.654 ' O ' ' HG ' ' A' 1305 ' ' LEU . 7.6 p -60.6 -40.11 83.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.484 ' HA ' HD12 ' A' 1305 ' ' LEU . 93.8 t -61.56 -37.85 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.876 0.37 . . . . 0.0 110.951 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 20.2 m -64.97 -39.94 94.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.044 0.449 . . . . 0.0 110.369 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1304 ' ' ASN . . . . . 0.421 ' CB ' HD21 ' A' 1349 ' ' LEU . 35.3 m-20 -66.63 -37.67 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.8 176.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.3 mt -63.11 -33.95 76.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.835 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1306 ' ' LYS . . . . . 0.552 ' HB2' ' HZ3' ' A' 1306 ' ' LYS . 4.5 ttmp? -57.75 -42.66 84.4 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 173.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.93 -45.94 78.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.425 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1308 ' ' ILE . . . . . 0.454 HG23 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -82.37 -39.06 15.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.314 -178.553 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1309 ' ' SER . . . . . 0.515 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 57.3 p -67.45 -45.1 77.0 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 122.246 -0.284 . . . . 0.0 111.31 -177.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.627 ' HG2' ' HE2' ' A' 1314 ' ' LYS . 54.3 ttm -65.74 -39.99 91.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.945 0.402 . . . . 0.0 110.194 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 37.4 m -70.55 -29.79 66.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.37 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 42.0 t -61.45 -45.16 95.47 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.649 ' HG ' HG12 ' A' 1216 ' ' VAL . 39.4 m -60.32 -49.73 76.45 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 114.618 -1.173 . . . . 0.0 110.533 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.627 ' HE2' ' HG2' ' A' 1310 ' ' MET . 66.5 mttm -57.19 -44.09 83.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.426 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1315 ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' 1339 ' ' ALA . 37.2 tp -61.4 -47.02 87.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 111.026 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.446 HD23 ' HD2' ' A' 1274 ' ' PHE . 86.4 mt -67.32 -30.13 69.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.813 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' 1313 ' ' SER . 85.8 mt -65.29 -35.1 79.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.41 . . . . 0.0 110.399 175.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.25 83.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.129 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.79 83.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 0.0 110.358 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1320 ' ' LYS . . . . . 0.462 ' HA ' HG21 ' A' 1209 ' ' VAL . 13.3 tppt? -54.51 -49.67 69.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.613 173.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.67 64.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.243 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1322 ' ' LEU . . . . . . . . . . . . . 33.8 tp -75.86 -29.76 58.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.694 0.283 . . . . 0.0 111.587 -176.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 6.3 p -74.74 -17.03 60.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.015 0.436 . . . . 0.0 110.572 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 2.3 p -101.46 -31.66 10.79 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.785 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -131.09 90.83 37.87 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.0 175.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -91.71 15.03 1.73 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.494 2.13 . . . . 0.0 112.292 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -98.63 -38.6 9.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.737 -175.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 41.6 t -68.07 116.27 37.21 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.61 -175.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.11 -27.18 29.89 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.864 2.376 . . . . 0.0 111.05 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.27 -31.51 71.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.908 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.06 -37.93 72.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.032 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1332 ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -59.09 -44.58 91.93 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.098 0.475 . . . . 0.0 109.792 172.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 35.4 t -60.55 -44.67 95.87 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.785 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -62.95 -44.64 95.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.797 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.06 -45.34 91.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.43 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1336 ' ' ALA . . . . . 0.492 ' HB2' HH22 ' A' 1261 ' ' ARG . . . -62.34 -38.7 90.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.294 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.04 -40.99 87.28 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.998 0.428 . . . . 0.0 110.715 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.48 ' O ' HG22 ' A' 1342 ' ' VAL . . . -68.65 -42.6 77.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.662 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1339 ' ' ALA . . . . . 0.589 ' HA ' HD23 ' A' 1315 ' ' LEU . . . -61.81 -41.12 97.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.094 0.474 . . . . 0.0 110.643 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -61.18 -41.88 97.59 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.109 175.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.7 97.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.823 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' 1346 ' ' ILE . 59.4 t -64.26 -52.73 52.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.724 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 18.1 m -61.66 -37.96 85.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.2 0.524 . . . . 0.0 110.641 -177.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1344 ' ' ASP . . . . . 0.563 ' O ' ' HG2' ' A' 1348 ' ' GLN . 33.2 t70 -64.11 -50.54 67.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.758 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 9.0 p -66.58 -33.93 76.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.597 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' 1342 ' ' VAL . 95.9 mt -55.2 -53.72 31.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 172.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -64.8 -33.48 76.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.334 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1348 ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' 1344 ' ' ASP . 14.9 mm100 -59.56 -48.83 80.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.884 0.374 . . . . 0.0 110.658 177.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.643 HD22 HG23 ' A' 1301 ' ' VAL . 2.5 tm? -67.16 -38.67 85.87 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.458 -176.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' 1346 ' ' ILE . 44.5 mm -67.39 -43.63 87.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.556 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 85.8 m -60.76 -47.21 87.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.358 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 22.9 ptp -71.51 -27.76 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.681 0.277 . . . . 0.0 110.855 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 39.3 t -77.84 -22.95 49.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.903 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1354 ' ' THR . . . . . 0.465 HG21 ' H ' ' A' 1356 ' ' GLN . 9.2 m 71.87 145.32 0.07 Allowed 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.705 0.628 . . . . 0.0 110.42 -175.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -107.35 19.61 20.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.11 0.481 . . . . 0.0 110.948 -177.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1356 ' ' GLN . . . . . 0.465 ' H ' HG21 ' A' 1354 ' ' THR . 58.9 tt0 -123.57 -73.66 0.64 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.855 176.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.585 177.771 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 112.23 -0.348 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 45.1 mm 63.36 75.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 122.937 0.495 . . . . 0.0 110.659 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 29.3 t70 58.86 97.45 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.45 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.791 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -80.0 110.23 2.51 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.97 2.446 . . . . 0.0 111.936 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1204 ' ' PHE . . . . . 0.441 ' O ' ' HB ' ' A' 1205 ' ' THR . 47.9 p90 -68.15 159.07 31.75 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1205 ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' 1204 ' ' PHE . 88.3 m 76.08 -52.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.756 -177.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -74.13 -42.93 59.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.965 0.412 . . . . 0.0 110.39 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.478 ' HD3' ' HB3' ' A' 1210 ' ' ASP . 6.6 tpp180 -77.11 -21.05 54.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.471 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.04 -43.64 66.79 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.556 HG23 ' HA ' ' A' 1320 ' ' LYS . 31.5 m -64.14 -36.17 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.852 0.358 . . . . 0.0 111.37 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1210 ' ' ASP . . . . . 0.478 ' HB3' ' HD3' ' A' 1207 ' ' ARG . 25.2 t70 -83.55 -27.49 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.078 0.466 . . . . 0.0 110.692 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 59.1 t30 -63.59 -35.06 79.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.984 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1212 ' ' ALA . . . . . 0.435 ' O ' HG21 ' A' 1216 ' ' VAL . . . -60.71 -40.9 94.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.888 173.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1213 ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' 1316 ' ' LEU . 41.9 mt -67.52 -31.14 71.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.993 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -59.62 -41.06 89.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.17 -50.51 39.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.614 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.532 HG12 ' CE2' ' A' 1278 ' ' PHE . 87.2 t -58.84 -52.64 57.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.315 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1217 ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -62.52 -47.4 89.6 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.559 -177.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.64 -43.88 98.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.631 0.253 . . . . 0.0 110.689 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.81 89.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.967 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 48.5 m -62.1 -37.2 84.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.81 0.338 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1221 ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' 1217 ' ' GLY . 67.2 mttm -74.15 -56.98 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.991 0.424 . . . . 0.0 110.318 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -56.41 -56.31 22.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.035 -175.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.655 ' HB3' HG22 ' A' 1286 ' ' VAL . 92.3 mt -68.13 -37.83 81.54 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -173.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 79.0 mt -86.18 6.08 31.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.349 . . . . 0.0 111.457 -176.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 49.2 m -107.63 -40.37 5.33 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 172.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.99 -39.32 69.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.624 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 94.7 mt 64.04 22.17 12.84 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.461 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 41.7 mt -147.61 139.66 14.08 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.483 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1229 ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' 1230 ' ' PRO . 68.4 Cg_endo -92.4 145.87 2.77 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 123.016 2.477 . . . . 0.0 112.83 177.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1230 ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 2.6 Cg_endo -82.86 15.53 2.05 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 123.157 2.571 . . . . 0.0 111.462 174.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1231 ' ' SER . . . . . 0.507 ' O ' ' HG3' ' A' 1287 ' ' GLU . 33.9 p -151.61 146.91 26.17 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.311 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 13.4 t -170.88 -169.05 0.73 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -166.63 -125.33 0.77 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 62.1 p -109.32 -46.96 3.47 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1235 ' ' PHE . . . . . 0.493 ' HA ' ' NE2' ' A' 1291 ' ' GLN . 32.2 t80 -175.34 -56.44 0.01 OUTLIER 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.734 174.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1236 ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' A' 1239 ' ' GLN . 29.4 tt0 -65.63 -24.99 67.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.19 -176.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -54.24 -48.1 71.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 110.623 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -78.33 -34.94 48.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.319 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1239 ' ' GLN . . . . . 0.478 ' HB3' ' HA ' ' A' 1236 ' ' GLN . 53.0 tt0 -57.32 -45.13 84.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.734 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 17.6 m -63.37 -37.46 87.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1241 ' ' ARG . . . . . 0.414 ' HG2' ' HB2' ' A' 1284 ' ' ALA . 52.8 ttt180 -67.76 -39.07 84.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.346 -178.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.757 HD23 ' HB1' ' A' 1284 ' ' ALA . 2.4 mm? -57.39 -41.15 79.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.856 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -66.75 -39.24 87.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.567 -174.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.65 -52.21 40.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.185 0.517 . . . . 0.0 110.287 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.1 -33.32 75.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.226 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.01 -53.67 55.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.225 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.4 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.74 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -64.86 -47.01 87.69 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.4 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1249 ' ' LEU . . . . . 0.41 HD23 HD13 ' A' 1346 ' ' ILE . 22.2 tp -66.24 -36.71 83.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.602 0.239 . . . . 0.0 110.768 -177.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -62.01 -39.89 93.8 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.838 0.351 . . . . 0.0 110.702 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1251 ' ' GLN . . . . . 0.492 ' O ' ' HB ' ' A' 1254 ' ' THR . 25.7 tm0? -72.44 -39.62 67.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.963 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.08 96.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.013 0.435 . . . . 0.0 110.796 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1253 ' ' ALA . . . . . 0.469 ' O ' HG23 ' A' 1257 ' ' VAL . . . -62.44 -40.2 95.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.19 0.519 . . . . 0.0 109.916 174.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1254 ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' 1251 ' ' GLN . 80.5 m -57.54 -40.15 78.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.973 176.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' 1251 ' ' GLN . 59.8 mt-10 -61.67 -45.14 95.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.583 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 68.9 mt -59.78 -42.09 92.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.717 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1257 ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' 1253 ' ' ALA . 95.7 t -59.28 -48.97 85.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.844 0.354 . . . . 0.0 111.254 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -69.23 -43.52 73.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.926 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.1 69.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1260 ' ' SER . . . . . 0.472 ' HG ' HD21 ' A' 1322 ' ' LEU . 38.6 t -55.09 -37.35 66.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.764 178.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1261 ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' 1261 ' ' ARG . 23.0 mtp180 -112.27 21.0 16.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.2 -177.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -126.7 -60.18 0.14 Allowed Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.326 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1263 ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 1.8 t -167.78 133.43 1.63 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 121.101 0.477 . . . . 0.0 111.372 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1264 ' ' PRO . . . . . 0.78 ' HA ' HD13 ' A' 1267 ' ' LEU . 39.5 Cg_exo -61.06 -23.09 76.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.379 2.719 . . . . 0.0 112.436 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -76.44 -27.92 56.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 10.7 t70 -75.25 -35.15 61.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.78 HD13 ' HA ' ' A' 1264 ' ' PRO . 75.6 mt -53.17 -44.75 68.12 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.852 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.9 79.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.076 0.465 . . . . 0.0 111.082 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.31 -45.54 94.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.008 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.65 -28.72 70.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.67 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 35.5 m -63.6 -43.62 96.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.708 0.29 . . . . 0.0 110.932 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -74.77 -27.41 64.97 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.617 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -69.52 -53.62 18.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 175.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 65.7 t80 -61.02 -47.52 86.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.936 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -61.03 -37.75 94.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.594 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.67 -50.02 47.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.619 0.247 . . . . 0.0 110.823 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -62.18 -37.71 86.29 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.413 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.689 ' HE1' ' HA ' ' A' 1309 ' ' SER . 83.6 t80 -61.08 -44.46 97.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.484 176.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1279 ' ' SER . . . . . 0.408 ' O ' ' HG3' ' A' 1283 ' ' GLU . 58.8 m -56.13 -51.14 69.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.088 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 32.7 m -61.96 -39.52 92.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.185 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 58.0 t80 -64.11 -46.04 85.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.502 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.403 ' O ' HG21 ' A' 1286 ' ' VAL . 20.7 tp -66.27 -38.01 86.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.345 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1283 ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' 1279 ' ' SER . 48.5 mt-10 -55.6 -50.42 70.16 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.192 173.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1284 ' ' ALA . . . . . 0.757 ' HB1' HD23 ' A' 1242 ' ' LEU . . . -61.82 -37.21 83.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.15 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -60.05 -48.0 88.26 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.09 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.655 HG22 ' HB3' ' A' 1223 ' ' LEU . 33.3 t -68.72 -33.93 62.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.145 0.497 . . . . 0.0 110.02 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1287 ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' 1231 ' ' SER . 35.2 tt0 -59.23 -47.15 86.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.763 178.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.543 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 20.6 ptm -75.09 -25.25 58.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -69.48 -32.56 71.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 110.774 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -73.05 -28.56 66.31 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.495 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.543 ' HG2' ' HA ' ' A' 1288 ' ' MET . 12.3 pt20 -93.37 10.08 33.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.811 0.338 . . . . 0.0 110.724 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1292 ' ' ALA . . . . . 0.456 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -62.48 126.39 88.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.568 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1293 ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 31.4 Cg_exo -59.62 -35.96 93.77 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.033 2.489 . . . . 0.0 112.419 -177.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 96.6 p -136.26 165.46 25.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.242 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -70.14 -20.29 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.28 -45.3 93.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.059 175.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -71.23 -40.43 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.536 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' 1302 ' ' VAL . 75.6 ttt180 -63.43 -46.53 85.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.361 -176.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.53 75.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.012 0.434 . . . . 0.0 110.819 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -69.25 -48.9 60.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.919 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.651 ' O ' ' HG ' ' A' 1305 ' ' LEU . 10.4 p -62.89 -39.14 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.139 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' 1298 ' ' ARG . 71.8 t -61.78 -43.98 98.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.674 0.273 . . . . 0.0 111.233 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 3.2 p -66.95 -32.88 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.146 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -66.34 -42.76 87.67 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.298 0.571 . . . . 0.0 109.777 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.5 mt -60.63 -32.78 71.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.338 -177.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.68 -37.1 82.87 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.627 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.56 -51.32 57.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.319 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1308 ' ' ILE . . . . . 0.428 HG13 ' CG1' ' A' 1346 ' ' ILE . 0.0 OUTLIER -74.45 -39.9 48.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 121.253 -0.179 . . . . 0.0 111.123 -178.477 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1309 ' ' SER . . . . . 0.689 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 23.9 p -65.43 -44.54 87.03 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.545 0.212 . . . . 0.0 111.313 -177.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.621 ' O ' ' HG3' ' A' 1314 ' ' LYS . 20.1 mmt -63.31 -46.77 85.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.708 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 66.3 m -62.72 -34.94 78.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.483 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 61.3 m -65.7 -37.72 87.24 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.681 0.753 . . . . 0.0 109.533 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.43 ' O ' ' HG ' ' A' 1317 ' ' LEU . 47.4 m -64.75 -48.22 75.36 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.149 176.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.621 ' HG3' ' O ' ' A' 1310 ' ' MET . 82.6 mttt -60.44 -38.58 84.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.574 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1315 ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' 1339 ' ' ALA . 34.0 tp -61.07 -52.78 63.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.1 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.6 ' HB2' HD21 ' A' 1213 ' ' LEU . 95.9 mt -65.6 -30.15 70.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.499 HD11 ' HA ' ' A' 1314 ' ' LYS . 72.3 mt -59.53 -45.97 90.23 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 174.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.24 92.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.646 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.61 95.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 178.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1320 ' ' LYS . . . . . 0.556 ' HA ' HG23 ' A' 1209 ' ' VAL . 33.6 ttpt -64.21 -43.7 94.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.717 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.98 72.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.492 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.555 HD22 HD12 ' A' 1267 ' ' LEU . 28.1 tp -73.0 -26.31 61.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.736 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 29.5 t -63.73 -41.84 97.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.106 0.479 . . . . 0.0 109.839 175.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 3.1 m -79.79 -40.61 28.27 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.191 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1325 ' ' ASP . . . . . 0.44 ' O ' HD11 ' A' 1322 ' ' LEU . 2.7 m-20 -120.12 86.23 37.06 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -90.04 3.22 5.1 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.623 2.216 . . . . 0.0 112.949 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1327 ' ' ALA . . . . . 0.474 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -107.4 13.46 26.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.689 0.28 . . . . 0.0 111.24 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 34.2 t -99.79 103.49 22.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.382 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1329 ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' 1327 ' ' ALA . 26.1 Cg_exo -62.8 -34.08 73.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.772 2.315 . . . . 0.0 111.628 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.13 -36.93 85.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 178.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 19.5 tp -68.79 -32.7 72.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.544 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.544 ' CE ' HD13 ' A' 1322 ' ' LEU . 2.1 mptm? -61.44 -39.79 92.11 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.381 0.61 . . . . 0.0 110.035 173.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 23.2 t -70.65 -42.79 70.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.696 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.6 -40.66 97.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.762 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.42 -53.15 61.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.118 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.93 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 111.033 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -64.35 -49.87 69.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.056 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' 1342 ' ' VAL . . . -62.91 -38.01 89.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.644 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1339 ' ' ALA . . . . . 0.643 ' HA ' HD23 ' A' 1315 ' ' LEU . . . -59.67 -46.24 89.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.026 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -68.66 -28.76 67.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.935 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.51 -40.02 94.86 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 174.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' 1338 ' ' ALA . 62.6 t -61.57 -49.8 82.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.695 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.4 m -53.7 -47.45 70.49 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.507 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.42 -53.53 57.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.42 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.8 m -61.03 -38.19 85.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.323 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.54 ' O ' HG12 ' A' 1350 ' ' ILE . 63.9 mt -59.22 -52.16 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.266 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -57.33 -47.5 81.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.392 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -60.07 -43.95 95.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.661 0.267 . . . . 0.0 110.91 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -60.25 -44.5 95.22 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.24 0.543 . . . . 0.0 109.698 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.597 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 35.0 mm -70.86 -35.24 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.271 -177.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 91.8 m -72.26 -26.03 61.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.933 0.397 . . . . 0.0 111.434 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 71.5 mtm -80.02 -36.23 36.15 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.145 -0.347 . . . . 0.0 111.267 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' A' 1350 ' ' ILE . 24.5 p -84.28 -38.55 20.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.941 0.4 . . . . 0.0 110.731 178.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 20.8 m -110.3 96.51 6.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.14 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -76.69 139.2 40.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.008 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.38 110.56 22.81 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.556 -177.671 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.409 -0.277 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 5.4 tt -66.12 128.47 29.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.589 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1202 ' ' ASP . . . . . 0.446 ' OD2' ' HD3' ' A' 1207 ' ' ARG . 10.7 t70 -167.96 148.46 4.56 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.01 109.7 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.655 2.236 . . . . 0.0 112.277 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -73.25 -177.35 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1205 ' ' THR . . . . . 0.492 ' HA ' ' CB ' ' A' 1268 ' ' ALA . 23.2 m 73.28 -67.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.654 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -71.46 -29.3 64.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.552 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.446 ' HD3' ' OD2' ' A' 1202 ' ' ASP . 21.1 tpt180 -74.98 -39.87 61.04 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.079 175.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1208 ' ' ASP . . . . . 0.469 ' HB2' ' HB2' ' A' 1268 ' ' ALA . 14.9 m-20 -60.01 -35.79 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.637 ' HA ' ' OG ' ' A' 1271 ' ' SER . 29.7 m -80.4 -39.23 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.208 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1210 ' ' ASP . . . . . 0.555 ' HA ' ' HD3' ' A' 1320 ' ' LYS . 36.7 t70 -77.35 -30.97 54.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.853 0.358 . . . . 0.0 111.648 -176.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.39 -29.57 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 0.0 110.555 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1212 ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' 1216 ' ' VAL . . . -66.42 -44.53 82.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.427 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1213 ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' 1316 ' ' LEU . 7.1 mp -63.56 -35.32 80.11 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.155 177.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -56.56 -43.75 80.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.782 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.74 -44.98 65.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.003 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.668 HG12 ' CE2' ' A' 1278 ' ' PHE . 84.9 t -58.98 -47.65 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.984 0.421 . . . . 0.0 110.834 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.94 -41.27 97.45 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.48 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.75 -44.12 82.32 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.649 -0.324 . . . . 0.0 110.148 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.15 71.42 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.016 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 38.4 m -58.12 -54.16 50.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.968 0.413 . . . . 0.0 110.699 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1221 ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' 1221 ' ' LYS . 3.9 mptp? -76.0 -26.49 56.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 111.035 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -72.45 -25.21 61.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.261 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.496 HD22 ' HG2' ' A' 1283 ' ' GLU . 62.7 mt -111.27 -54.5 2.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.248 -172.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1224 ' ' LEU . . . . . 0.465 HD21 HG13 ' A' 1302 ' ' VAL . 83.0 mt -58.85 -76.42 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.188 0.305 . . . . 0.0 111.76 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 19.2 m 53.18 -154.53 0.22 Allowed 'General case' 0 CA--C 1.535 0.387 0 O-C-N 123.329 0.393 . . . . 0.0 110.891 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -129.18 144.3 51.16 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 11.1 mp 60.46 94.49 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.811 0.695 . . . . 0.0 112.261 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1228 ' ' LEU . . . . . 0.501 ' HB2' ' HD2' ' A' 1298 ' ' ARG . 94.2 mt -117.56 106.85 45.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.964 176.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1229 ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.61 136.84 40.57 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.556 2.171 . . . . 0.0 112.365 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1230 ' ' PRO . . . . . 0.748 ' HA ' ' O ' ' A' 1290 ' ' GLY . 68.3 Cg_endo -76.7 151.18 31.83 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.742 2.295 . . . . 0.0 112.532 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 15.6 p -121.03 -176.2 3.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.094 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1232 ' ' THR . . . . . 0.54 ' HA ' ' CE2' ' A' 1235 ' ' PHE . 1.3 p -112.56 158.33 20.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.511 0.196 . . . . 0.0 111.096 179.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 82.73 -48.83 4.08 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.665 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1234 ' ' THR . . . . . 0.816 ' HA ' ' HB3' ' A' 1237 ' ' GLU . 0.2 OUTLIER -55.69 -17.69 6.4 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.263 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1235 ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' 1232 ' ' THR . 85.7 m-85 -51.11 -67.88 0.22 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.037 0.446 . . . . 0.0 110.985 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -78.32 -21.81 49.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.14 0.495 . . . . 0.0 109.933 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1237 ' ' GLU . . . . . 0.816 ' HB3' ' HA ' ' A' 1234 ' ' THR . 32.8 tt0 -58.07 -47.51 82.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.123 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1238 ' ' ALA . . . . . 0.759 ' HA ' ' HG2' ' A' 1241 ' ' ARG . . . -79.31 -27.56 42.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.047 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -55.66 -53.79 52.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 14.6 m -64.99 -38.37 90.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.877 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1241 ' ' ARG . . . . . 0.759 ' HG2' ' HA ' ' A' 1238 ' ' ALA . 14.0 ptm180 -75.24 -28.43 59.86 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.981 -173.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' 1284 ' ' ALA . 1.0 OUTLIER -60.38 -45.9 91.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.375 174.661 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -66.05 -39.51 90.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.264 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.78 -49.0 64.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.094 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.42 80.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -57.68 -53.33 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.39 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.21 -37.07 71.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.344 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -68.96 -44.69 66.5 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.219 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 32.2 tp -68.3 -31.16 70.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.642 0.258 . . . . 0.0 111.03 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 11.1 m120 -54.99 -50.45 68.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.136 0.493 . . . . 0.0 110.571 175.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 17.2 tm0? -72.49 -33.82 67.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.037 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.11 84.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -67.29 -32.77 73.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.096 0.474 . . . . 0.0 110.301 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 29.9 m -63.3 -36.22 82.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.699 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1255 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.48 -43.32 99.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.203 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.39 -38.26 86.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.548 0.213 . . . . 0.0 110.912 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 48.9 t -60.71 -52.6 59.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-O 120.981 0.42 . . . . 0.0 110.663 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -64.54 -42.07 95.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.627 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.55 88.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.385 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1260 ' ' SER . . . . . 0.503 ' OG ' ' HG ' ' A' 1335 ' ' LEU . 63.5 m -59.85 -31.07 69.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.79 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -97.03 4.39 51.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -177.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -117.6 -71.4 0.42 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.708 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 2.7 t -156.47 136.14 8.34 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.749 0.309 . . . . 0.0 111.251 -177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1264 ' ' PRO . . . . . 0.699 ' HA ' HD13 ' A' 1267 ' ' LEU . 50.5 Cg_exo -54.7 -30.76 68.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.483 2.788 . . . . 0.0 112.901 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -70.36 -20.67 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.328 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -79.88 -32.05 40.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.329 . . . . 0.0 110.123 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.699 HD13 ' HA ' ' A' 1264 ' ' PRO . 6.6 mp -59.84 -34.2 72.78 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.121 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1268 ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' 1205 ' ' THR . . . -57.57 -55.14 38.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.217 179.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -69.23 -35.43 76.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.358 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.09 85.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.624 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1271 ' ' SER . . . . . 0.637 ' OG ' ' HA ' ' A' 1209 ' ' VAL . 7.5 t -63.17 -41.57 99.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.789 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.69 92.27 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.986 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -74.37 -50.01 20.4 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 73.5 t80 -56.53 -48.26 77.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.496 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.32 95.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.775 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.29 -51.88 27.1 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.526 0.203 . . . . 0.0 111.085 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -63.27 -36.05 82.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.517 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.668 ' CE2' HG12 ' A' 1216 ' ' VAL . 74.2 t80 -60.96 -45.03 96.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.537 175.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1279 ' ' SER . . . . . 0.58 ' O ' ' HG3' ' A' 1283 ' ' GLU . 51.9 m -54.5 -54.43 41.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.047 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 14.3 m -60.86 -40.34 92.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.154 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 82.7 t80 -63.71 -48.31 77.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.64 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.452 ' O ' HG22 ' A' 1286 ' ' VAL . 43.6 tp -64.44 -45.92 85.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.712 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1283 ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' A' 1279 ' ' SER . 58.8 mt-10 -60.53 -35.78 76.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.9 0.381 . . . . 0.0 110.452 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1284 ' ' ALA . . . . . 0.425 ' HB3' HD23 ' A' 1242 ' ' LEU . . . -71.37 -43.31 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.78 177.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -60.39 -47.12 92.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.175 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' 1282 ' ' LEU . 45.5 t -67.22 -30.0 47.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 0.0 110.107 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1287 ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' 1291 ' ' GLN . 9.3 tp10 -59.52 -53.48 57.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.182 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.566 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 19.9 ptm -72.74 -26.63 61.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.98 90.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 171.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1290 ' ' GLY . . . . . 0.748 ' O ' ' HA ' ' A' 1230 ' ' PRO . . . -83.93 31.68 3.34 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.604 177.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.566 ' HG2' ' HA ' ' A' 1288 ' ' MET . 77.5 mm-40 -116.39 -12.38 11.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.494 0.664 . . . . 0.0 109.234 171.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -67.71 128.7 93.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.315 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -62.27 -34.05 79.07 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.58 2.186 . . . . 0.0 112.117 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 19.1 m -91.16 126.79 36.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.063 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1295 ' ' GLN . . . . . 0.449 ' O ' ' HB3' ' A' 1298 ' ' ARG . 4.4 pt20 -66.9 -27.03 67.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.486 0.184 . . . . 0.0 111.254 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.85 -34.54 57.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.991 0.424 . . . . 0.0 109.957 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.35 -34.85 76.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.501 ' HD2' ' HB2' ' A' 1228 ' ' LEU . 12.8 ttp85 -55.8 -43.75 77.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.946 170.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -66.35 -28.69 68.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.232 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.59 -48.88 79.47 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.595 ' O ' ' HG ' ' A' 1305 ' ' LEU . 16.8 t -59.95 -44.22 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.769 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.465 HG13 HD21 ' A' 1224 ' ' LEU . 90.7 t -57.62 -39.44 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.141 178.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1303 ' ' SER . . . . . 0.486 ' O ' ' HG2' ' A' 1306 ' ' LYS . 26.6 t -61.01 -36.52 79.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.038 0.447 . . . . 0.0 110.333 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -76.17 -39.97 53.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.241 0.543 . . . . 0.0 109.819 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' 1301 ' ' VAL . 95.6 mt -62.0 -36.63 82.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.538 -178.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1306 ' ' LYS . . . . . 0.567 ' HA ' ' OG ' ' A' 1309 ' ' SER . 16.1 ptpt -64.75 -28.83 69.85 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.888 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -58.97 -45.67 94.82 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.823 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -40.73 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 122.675 -0.309 . . . . 0.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1309 ' ' SER . . . . . 0.625 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 24.3 p -65.13 -47.5 76.89 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.763 0.316 . . . . 0.0 111.619 -176.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.559 ' O ' ' HG3' ' A' 1314 ' ' LYS . 90.7 mtp -67.6 -37.2 82.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.647 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1311 ' ' SER . . . . . 0.803 ' HA ' ' HD2' ' A' 1314 ' ' LYS . 69.2 m -65.22 -33.37 75.84 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.728 177.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 49.6 m -67.22 -38.67 85.66 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.371 0.605 . . . . 0.0 109.47 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.538 ' O ' ' HG ' ' A' 1317 ' ' LEU . 41.5 m -62.04 -48.11 81.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.046 174.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.803 ' HD2' ' HA ' ' A' 1311 ' ' SER . 56.3 mttm -56.51 -43.41 79.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.564 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.17 -51.3 69.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.064 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.611 ' HB3' HD11 ' A' 1213 ' ' LEU . 89.4 mt -65.45 -30.17 70.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.434 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' 1313 ' ' SER . 78.6 mt -57.26 -47.38 81.56 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 110.387 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.6 -36.38 76.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.581 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.06 86.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.31 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1320 ' ' LYS . . . . . 0.555 ' HD3' ' HA ' ' A' 1210 ' ' ASP . 32.5 mtmt -59.14 -52.05 67.39 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 178.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.05 88.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.801 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.502 HD12 ' CE ' ' A' 1332 ' ' LYS . 20.4 tp -66.12 -29.37 69.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.834 0.349 . . . . 0.0 111.499 -175.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1323 ' ' SER . . . . . 0.444 ' HA ' ' HB3' ' A' 1264 ' ' PRO . 43.5 m -72.03 -14.13 61.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.842 0.353 . . . . 0.0 111.313 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 11.9 t -125.67 10.6 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.118 0.485 . . . . 0.0 110.433 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1325 ' ' ASP . . . . . 0.404 ' N ' ' HD3' ' A' 1326 ' ' PRO . 28.7 t70 -156.83 56.36 1.17 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.307 -177.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1326 ' ' PRO . . . . . 0.433 ' HA ' HD13 ' A' 1322 ' ' LEU . 95.6 Cg_endo -85.0 17.39 1.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.462 2.108 . . . . 0.0 113.36 -172.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1327 ' ' ALA . . . . . 0.473 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -100.09 -7.58 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.787 0.327 . . . . 0.0 110.955 177.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 18.2 m -90.97 108.36 27.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.47 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1329 ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' 1327 ' ' ALA . 28.2 Cg_exo -62.61 -34.51 74.36 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.981 2.454 . . . . 0.0 112.001 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 8.6 p30 -61.33 -30.43 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.673 177.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 12.1 tp -77.18 -34.76 56.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.064 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.502 ' CE ' HD12 ' A' 1322 ' ' LEU . 1.4 mptm? -64.51 -38.62 91.66 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.275 0.56 . . . . 0.0 109.817 172.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 39.8 m -66.81 -48.46 68.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.055 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.27 -37.14 84.33 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.956 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1335 ' ' LEU . . . . . 0.503 ' HG ' ' OG ' ' A' 1260 ' ' SER . 1.6 tm? -56.7 -53.0 62.73 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.78 84.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.28 81.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.476 ' O ' HG21 ' A' 1342 ' ' VAL . . . -68.14 -38.05 81.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.726 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.54 96.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.632 177.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1340 ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' 1340 ' ' ARG . 27.1 mmt180 -65.66 -37.53 86.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.311 176.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.83 88.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.455 176.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' 1346 ' ' ILE . 82.7 t -60.81 -52.61 59.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.732 178.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.3 m -61.03 -45.58 94.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.357 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -38.06 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.436 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 43.2 m -66.36 -37.67 85.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.704 0.288 . . . . 0.0 110.63 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' 1342 ' ' VAL . 94.0 mt -58.07 -52.99 51.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.086 175.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.44 -43.03 88.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.144 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -61.98 -42.96 99.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.5 -46.16 73.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.767 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' 1346 ' ' ILE . 29.4 mm -63.77 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1351 ' ' THR . . . . . 0.744 ' O ' ' HG3' ' A' 1355 ' ' GLN . 88.2 m -56.59 -55.71 30.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.297 177.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1352 ' ' MET . . . . . 0.578 ' HA ' ' OE1' ' A' 1355 ' ' GLN . 24.2 ttt -58.91 -45.15 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.184 -175.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.538 ' HB3' ' HE1' ' A' 1288 ' ' MET . 78.4 m -68.11 -40.56 82.53 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -173.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 14.8 m -85.37 -4.74 59.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.776 0.322 . . . . 0.0 111.851 -175.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1355 ' ' GLN . . . . . 0.744 ' HG3' ' O ' ' A' 1351 ' ' THR . 55.6 mt-30 -62.4 -50.04 73.09 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.693 0.282 . . . . 0.0 111.097 177.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -82.48 94.13 7.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.027 0.441 . . . . 0.0 109.937 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.137 -179.816 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 30.1 pt -88.21 21.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.746 0.784 . . . . 0.0 109.868 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1202 ' ' ASP . . . . . 0.485 ' HB2' ' HD2' ' A' 1207 ' ' ARG . 11.2 p-10 -134.6 144.9 52.76 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.317 -172.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1203 ' ' PRO . . . . . 0.66 ' HB2' ' HG2' ' A' 1206 ' ' GLN . 6.1 Cg_exo -78.83 87.89 1.51 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.494 2.129 . . . . 0.0 110.526 170.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 51.9 p90 -63.5 -20.36 65.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.022 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1205 ' ' THR . . . . . 0.427 ' O ' ' HB3' ' A' 1268 ' ' ALA . 10.1 p -70.2 -7.34 41.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.127 -179.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.687 ' O ' HG22 ' A' 1209 ' ' VAL . 11.9 pt20 -123.79 -28.18 3.86 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.404 177.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.485 ' HD2' ' HB2' ' A' 1202 ' ' ASP . 66.1 mtp180 -55.16 -26.0 35.94 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -176.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.48 -29.37 70.42 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' 1206 ' ' GLN . 10.5 m -74.5 -25.84 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.106 0.479 . . . . 0.0 109.995 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.38 -44.84 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.143 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.72 -30.33 70.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.821 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.6 97.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.358 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1213 ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' 1209 ' ' VAL . 39.7 mt -65.63 -40.09 92.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1214 ' ' ARG . . . . . 0.441 ' C ' ' HD3' ' A' 1214 ' ' ARG . 2.7 tmt_? -59.19 -41.23 88.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.23 -54.12 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.972 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.448 HG11 ' CE2' ' A' 1278 ' ' PHE . 48.9 t -62.06 -45.45 98.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.003 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1217 ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -61.28 -48.12 87.23 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.743 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.82 -41.94 74.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.845 0.323 . . . . 0.0 110.987 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1219 ' ' ALA . . . . . 0.41 ' HB2' HD22 ' A' 1282 ' ' LEU . . . -62.61 -44.29 96.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.696 0.284 . . . . 0.0 111.147 -178.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1220 ' ' SER . . . . . 0.472 ' HA ' HD22 ' A' 1224 ' ' LEU . 13.3 p -62.05 -36.37 81.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 111.028 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1221 ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' 1217 ' ' GLY . 49.0 mtmt -74.12 -50.52 19.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 178.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -68.29 -32.67 72.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.317 -172.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.576 ' HB3' HG11 ' A' 1286 ' ' VAL . 91.2 mt -95.89 -48.39 5.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -172.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1224 ' ' LEU . . . . . 0.676 HD23 HD12 ' A' 1282 ' ' LEU . 3.7 mm? -77.11 -5.73 50.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 111.787 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 16.5 m -145.46 161.5 39.58 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.193 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 62.01 63.41 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.665 0.603 . . . . 0.0 111.372 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 3.4 mm? 73.06 141.34 0.06 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.533 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 90.3 mt -100.22 145.64 30.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.377 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1229 ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' 1230 ' ' PRO . 34.1 Cg_exo -60.87 117.1 3.84 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.765 2.31 . . . . 0.0 111.365 173.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1230 ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 57.1 Cg_endo -108.67 39.03 0.03 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.957 3.105 . . . . 0.0 114.358 -176.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 96.9 p -152.72 -146.24 0.19 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.595 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 24.0 m 74.14 -54.01 0.68 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.271 0.628 . . . . 0.0 111.934 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -143.42 174.88 23.75 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.626 -0.589 . . . . 0.0 111.626 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 3.5 m -74.01 -66.15 0.75 Allowed 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 116.828 0.314 . . . . 0.0 110.441 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 1.4 p90 -161.82 -50.46 0.04 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.533 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -70.6 -34.22 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.467 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -62.28 -32.14 72.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.591 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -68.25 -34.57 76.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.057 0.456 . . . . 0.0 110.115 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -73.82 -45.26 52.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.398 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.6 m -62.38 -36.88 83.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.302 0.572 . . . . 0.0 110.128 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -61.48 -43.28 99.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.875 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.401 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 42.1 tp -65.1 -38.21 89.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.108 177.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 15.4 m120 -59.05 -44.21 91.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.307 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.1 -38.69 75.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.3 0.571 . . . . 0.0 109.976 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1245 ' ' ALA . . . . . 0.64 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -61.61 -42.02 98.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.836 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1246 ' ' ALA . . . . . 0.486 ' HB3' HD11 ' A' 1350 ' ' ILE . . . -58.03 -51.77 68.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.379 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.35 71.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.215 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.11 -50.52 22.29 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.001 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1249 ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' 1252 ' ' ALA . 33.0 tp -66.06 -31.37 72.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.561 0.22 . . . . 0.0 110.946 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -57.5 -41.32 80.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.92 0.391 . . . . 0.0 110.183 174.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -72.49 -38.64 68.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1252 ' ' ALA . . . . . 0.813 ' HB3' ' HA ' ' A' 1274 ' ' PHE . . . -55.74 -46.43 77.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.952 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1253 ' ' ALA . . . . . 0.444 ' O ' HG21 ' A' 1257 ' ' VAL . . . -66.38 -38.57 87.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 110.284 175.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 39.2 m -58.25 -40.89 82.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.484 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1255 ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.58 -29.19 69.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.179 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1256 ' ' LEU . . . . . 0.508 ' HB3' HD22 ' A' 1335 ' ' LEU . 22.4 mt -73.34 -30.9 63.64 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.397 174.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1257 ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' 1253 ' ' ALA . 66.5 t -60.9 -53.84 43.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.57 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.68 -38.58 91.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.043 0.449 . . . . 0.0 111.023 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.83 83.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.294 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1260 ' ' SER . . . . . 0.423 ' HB3' HD23 ' A' 1335 ' ' LEU . 96.1 p -57.93 -32.41 67.75 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -111.97 21.88 15.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.972 0.415 . . . . 0.0 111.015 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.29 -87.79 0.96 Allowed Glycine 0 N--CA 1.436 -1.321 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 68.4 p -145.46 151.13 46.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.475 0.178 . . . . 0.0 111.225 -176.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1264 ' ' PRO . . . . . 0.674 ' HA ' HD12 ' A' 1267 ' ' LEU . 50.0 Cg_exo -58.91 -27.28 84.07 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.77 2.313 . . . . 0.0 111.571 173.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1265 ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' 1269 ' ' ARG . 76.2 mt-30 -68.1 -42.35 80.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.507 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.33 -37.39 80.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' 1264 ' ' PRO . 45.1 mt -55.02 -47.99 74.0 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.86 174.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1268 ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' 1205 ' ' THR . . . -59.47 -53.93 52.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1269 ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' 1265 ' ' GLN . 19.3 mtm180 -57.49 -38.56 74.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.382 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -68.07 -41.31 82.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.074 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1271 ' ' SER . . . . . 0.456 ' OG ' HG11 ' A' 1209 ' ' VAL . 34.6 m -62.56 -45.2 94.04 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.875 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.65 97.28 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.887 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -68.47 -42.65 78.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.514 0.197 . . . . 0.0 110.923 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1274 ' ' PHE . . . . . 0.813 ' HA ' ' HB3' ' A' 1252 ' ' ALA . 68.7 t80 -57.92 -52.79 64.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.813 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -64.69 -35.76 92.32 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.213 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -69.6 -52.74 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.657 0.265 . . . . 0.0 111.131 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.85 -36.69 85.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.448 ' CE2' HG11 ' A' 1216 ' ' VAL . 88.3 t80 -59.12 -38.08 78.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.773 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 49.3 m -56.32 -50.83 70.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 10.2 m -61.76 -42.18 98.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.789 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1281 ' ' PHE . . . . . 0.64 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 79.8 t80 -60.11 -51.39 69.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.087 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.676 HD12 HD23 ' A' 1224 ' ' LEU . 23.1 tp -67.09 -39.56 86.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -175.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.42 -37.4 83.37 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.777 0.323 . . . . 0.0 110.904 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -69.94 -41.1 75.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.834 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.14 -47.28 90.92 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.691 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.576 HG11 ' HB3' ' A' 1223 ' ' LEU . 27.8 m -72.62 -24.53 21.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 122.578 -0.366 . . . . 0.0 111.363 -179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -63.24 -48.22 79.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.519 ' HE2' ' HB3' ' A' 1353 ' ' CYS . 23.8 ptm -75.02 -25.49 58.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.719 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -61.85 -33.79 74.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.069 0.461 . . . . 0.0 110.537 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -71.7 -40.54 58.46 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.604 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' 1288 ' ' MET . 1.4 pp0? -77.91 -8.26 57.85 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 122.791 -0.24 . . . . 0.0 111.414 -176.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -52.95 128.75 47.35 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.181 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.95 -62.82 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.182 2.588 . . . . 0.0 113.096 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 77.8 p -95.22 165.81 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.017 0.436 . . . . 0.0 110.674 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.22 -23.23 61.97 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -73.43 -42.52 61.91 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.682 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -59.44 -42.72 92.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.967 0.413 . . . . 0.0 110.179 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.453 ' O ' HG22 ' A' 1302 ' ' VAL . 42.4 ttm180 -63.73 -44.01 94.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.602 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.36 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.088 0.47 . . . . 0.0 111.024 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -61.91 -40.62 96.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.337 -177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.537 ' O ' ' HG ' ' A' 1305 ' ' LEU . 7.1 p -79.71 -39.1 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.47 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.518 ' HA ' HD12 ' A' 1305 ' ' LEU . 62.3 t -61.52 -35.71 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -176.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 67.3 p -58.09 -46.14 86.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 111.086 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1304 ' ' ASN . . . . . 0.767 ' HB2' HD22 ' A' 1349 ' ' LEU . 14.6 m-80 -71.88 -31.35 66.34 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.119 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.4 mt -60.5 -40.93 93.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.445 178.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -64.68 -47.02 79.94 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.29 -50.82 54.69 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.634 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -36.58 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.433 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 36.9 t -62.88 -51.92 65.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.648 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.563 ' O ' ' HG3' ' A' 1314 ' ' LYS . 0.0 OUTLIER -62.18 -40.56 96.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 53.1 m -60.42 -37.97 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.615 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 53.3 m -63.61 -43.12 97.82 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.349 0.595 . . . . 0.0 109.971 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.618 ' O ' ' HG ' ' A' 1317 ' ' LEU . 66.7 m -60.78 -48.17 83.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.634 175.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' A' 1310 ' ' MET . 65.2 mttm -59.63 -35.52 74.54 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.031 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1315 ' ' LEU . . . . . 0.557 HD21 ' HA ' ' A' 1339 ' ' ALA . 29.1 tp -65.89 -50.97 62.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.998 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' 1320 ' ' LYS . 91.1 mt -63.34 -30.11 71.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.493 -177.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' 1313 ' ' SER . 89.4 mt -58.46 -45.64 88.18 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.678 0.275 . . . . 0.0 110.824 177.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.47 -35.0 78.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.669 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.95 96.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.893 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1320 ' ' LYS . . . . . 0.505 ' HZ1' ' HB2' ' A' 1320 ' ' LYS . 9.7 mtmp? -59.78 -56.27 23.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 0.0 110.668 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -61.72 -31.32 71.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.015 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.572 HD11 ' HD2' ' A' 1332 ' ' LYS . 20.1 tp -77.73 -16.4 58.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -177.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 50.6 m -81.5 -31.72 32.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.362 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 26.8 p -86.56 -41.28 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.47 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -116.31 90.03 28.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.276 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.29 13.46 2.26 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.729 2.286 . . . . 0.0 111.676 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -100.97 -24.64 14.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.879 -175.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 10.9 t -74.75 118.33 69.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 110.946 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.98 -45.78 9.72 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.226 2.617 . . . . 0.0 112.252 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 42.0 t30 -60.95 -28.14 68.76 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.725 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.6 -30.32 68.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.176 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.572 ' HD2' HD11 ' A' 1322 ' ' LEU . 4.2 mptp? -70.12 -46.79 64.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.177 0.513 . . . . 0.0 109.788 172.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 7.2 m -61.26 -43.79 98.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.155 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.58 -42.61 99.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.997 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1335 ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' 1256 ' ' LEU . 7.3 tt -61.91 -47.37 85.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.84 80.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.163 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -69.0 -41.17 78.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.539 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.28 -41.91 84.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.309 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1339 ' ' ALA . . . . . 0.557 ' HA ' HD21 ' A' 1315 ' ' LEU . . . -61.65 -36.83 81.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.131 0.491 . . . . 0.0 110.319 176.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -62.93 -43.55 98.48 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.906 175.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.44 99.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.628 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.582 ' O ' HG13 ' A' 1346 ' ' ILE . 64.3 t -63.47 -52.56 56.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.448 177.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1343 ' ' THR . . . . . 0.466 ' HA ' HD12 ' A' 1346 ' ' ILE . 29.4 m -60.3 -36.65 78.39 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.134 0.493 . . . . 0.0 110.863 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.16 -47.25 74.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.465 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 25.5 m -66.69 -32.31 73.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.392 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' 1342 ' ' VAL . 97.0 mt -59.09 -54.27 36.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.083 0.468 . . . . 0.0 110.141 175.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -66.27 -39.24 89.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -57.93 -38.01 75.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.401 . . . . 0.0 110.689 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.767 HD22 ' HB2' ' A' 1304 ' ' ASN . 3.1 tm? -68.06 -39.6 82.97 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' 1346 ' ' ILE . 46.2 mm -70.3 -40.89 78.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.331 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 23.6 m -64.53 -26.86 68.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.241 0.543 . . . . 0.0 110.69 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 50.4 tpp -78.63 -48.24 15.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.718 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.519 ' HB3' ' HE2' ' A' 1288 ' ' MET . 55.7 m -77.49 -55.13 5.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.148 -176.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 9.8 m -86.18 79.46 9.1 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 176.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -67.66 137.23 55.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.856 -173.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -94.53 -17.5 22.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 170.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.327 177.524 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1201 ' ' ILE . . . . . 0.408 HD11 ' N ' ' A' 1201 ' ' ILE . 3.2 mp -101.67 107.83 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.989 0.423 . . . . 0.0 110.22 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -136.67 140.61 32.57 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.974 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -78.85 -176.11 3.11 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.508 2.139 . . . . 0.0 111.136 175.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1204 ' ' PHE . . . . . 0.524 ' HA ' ' HD2' ' A' 1207 ' ' ARG . 99.1 m-85 -80.13 58.12 2.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.829 0.823 . . . . 0.0 109.857 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1205 ' ' THR . . . . . 0.448 ' O ' ' HB2' ' A' 1206 ' ' GLN . 38.5 m -143.57 125.73 15.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.596 -1.184 . . . . 0.0 108.509 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.518 ' O ' HG21 ' A' 1209 ' ' VAL . 24.3 mt-30 78.91 -29.54 0.15 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.827 0.851 . . . . 0.0 110.695 -175.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.524 ' HD2' ' HA ' ' A' 1204 ' ' PHE . 7.7 ptp180 -67.52 -17.51 64.69 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 172.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.08 -35.1 46.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.347 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.629 HG23 ' HA ' ' A' 1320 ' ' LYS . 22.9 m -59.89 -38.67 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.156 0.503 . . . . 0.0 110.376 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.3 -33.92 23.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.416 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.24 -37.89 89.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.248 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1212 ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' 1216 ' ' VAL . . . -63.86 -33.61 76.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.745 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1213 ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' 1209 ' ' VAL . 70.5 mt -62.07 -34.82 77.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1214 ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' 1214 ' ' ARG . 5.7 tpt180 -65.78 -40.34 91.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.244 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.17 95.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.461 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' 1212 ' ' ALA . 64.3 t -63.4 -41.43 92.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.483 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.97 -49.61 66.31 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.396 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1218 ' ' ASP . . . . . 0.404 ' O ' ' HD2' ' A' 1222 ' ' ARG . 7.8 m-20 -60.98 -52.11 66.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 120.313 0.102 . . . . 0.0 111.259 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1219 ' ' ALA . . . . . 0.433 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -53.11 -48.57 67.73 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.353 0.408 . . . . 0.0 111.205 -175.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1220 ' ' SER . . . . . 0.707 ' O ' ' HG ' ' A' 1224 ' ' LEU . 38.2 m -65.63 -55.17 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.151 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 64.7 mttp -67.94 -27.29 66.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -172.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1222 ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' 1218 ' ' ASP . 0.0 OUTLIER -76.95 -57.28 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.887 0.375 . . . . 0.0 110.714 176.538 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.757 ' HB3' HG12 ' A' 1286 ' ' VAL . 89.5 mt -72.14 -60.35 2.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -169.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1224 ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' 1220 ' ' SER . 4.1 pp -78.41 5.87 9.69 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.666 -170.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 40.9 t -73.56 -63.41 1.2 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -167.68 22.61 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.231 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1227 ' ' LEU . . . . . 0.619 ' HB3' ' HA ' ' A' 1223 ' ' LEU . 48.4 tp -110.51 84.44 1.93 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.162 0.506 . . . . 0.0 110.473 -174.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1228 ' ' LEU . . . . . 0.642 HD13 ' HA2' ' A' 1290 ' ' GLY . 89.7 mt -103.04 116.47 62.36 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.538 177.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1229 ' ' PRO . . . . . 0.574 ' HG2' ' HA ' ' A' 1287 ' ' GLU . 10.5 Cg_endo -53.96 142.8 63.53 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.999 2.466 . . . . 0.0 112.43 -177.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.64 127.34 25.01 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.064 2.509 . . . . 0.0 111.679 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 20.4 m -71.72 96.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.237 -176.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 1.5 p -64.29 -73.72 0.11 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.305 175.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1233 ' ' GLY . . . . . 0.44 ' C ' ' HG1' ' A' 1234 ' ' THR . . . -118.7 -45.79 0.46 Allowed Glycine 0 N--CA 1.44 -1.086 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 171.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1234 ' ' THR . . . . . 0.44 ' HG1' ' C ' ' A' 1233 ' ' GLY . 39.8 p 50.09 -157.05 0.09 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.698 0.799 . . . . 0.0 111.993 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 94.3 m-85 58.95 -100.39 0.11 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.223 -175.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -33.04 67.59 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.36 -41.79 96.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.244 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.05 -37.5 84.18 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.029 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -61.75 -47.61 84.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.457 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 32.0 m -59.78 -43.25 94.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.085 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -68.12 -43.27 78.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.023 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.409 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 56.4 tp -61.34 -45.88 92.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.098 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -61.69 -37.65 84.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.677 0.275 . . . . 0.0 111.307 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.85 -50.37 56.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.293 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.71 76.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.247 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1246 ' ' ALA . . . . . 0.557 ' HB3' HD12 ' A' 1350 ' ' ILE . . . -60.88 -53.43 57.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.193 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.43 80.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.761 -178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -60.51 -44.3 97.88 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.532 175.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 37.4 tp -72.84 -31.42 64.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.684 0.278 . . . . 0.0 110.857 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1250 ' ' ASN . . . . . 0.465 ' ND2' HG22 ' A' 1343 ' ' THR . 13.1 m120 -58.81 -47.71 83.83 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.425 0.631 . . . . 0.0 109.647 174.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -33.38 71.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.864 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1252 ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -62.66 -40.16 96.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.744 177.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1253 ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' 1257 ' ' VAL . . . -67.1 -38.09 85.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.217 0.532 . . . . 0.0 109.814 174.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 94.5 m -59.35 -33.96 71.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.978 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.718 ' HG3' ' HG2' ' A' 1273 ' ' ARG . 76.5 mm-40 -55.97 -51.74 66.65 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.769 0.319 . . . . 0.0 110.295 174.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1256 ' ' LEU . . . . . 0.64 ' HB3' HD12 ' A' 1335 ' ' LEU . 39.1 mt -62.31 -34.7 77.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.723 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1257 ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' 1253 ' ' ALA . 93.1 t -61.04 -43.58 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 111.109 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -72.29 -33.66 67.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.17 0.51 . . . . 0.0 110.367 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1259 ' ' ALA . . . . . 0.685 ' HB2' HD23 ' A' 1267 ' ' LEU . . . -74.8 -25.34 58.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.164 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1260 ' ' SER . . . . . 0.575 ' O ' ' HG3' ' A' 1332 ' ' LYS . 88.5 p -49.3 -28.83 5.21 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -169.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -63.82 -16.54 61.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.842 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 108.22 82.93 1.48 Allowed Glycine 0 CA--C 1.496 -1.133 0 C-N-CA 120.841 -0.695 . . . . 0.0 114.029 168.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1263 ' ' THR . . . . . 0.534 ' OG1' ' HB2' ' A' 1266 ' ' ASP . 73.4 p -143.63 114.43 5.6 Favored Pre-proline 0 N--CA 1.442 -0.871 0 CA-C-N 114.745 -0.727 . . . . 0.0 109.599 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.7 -48.58 18.65 Favored 'Trans proline' 0 N--CA 1.474 0.373 0 C-N-CA 123.512 2.808 . . . . 0.0 113.955 -171.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -70.37 -26.12 63.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.682 -175.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1266 ' ' ASP . . . . . 0.534 ' HB2' ' OG1' ' A' 1263 ' ' THR . 10.6 m-20 -80.28 -50.85 9.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.609 178.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.685 HD23 ' HB2' ' A' 1259 ' ' ALA . 3.1 mm? -51.36 -54.31 27.65 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.413 0.446 . . . . 0.0 111.212 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -60.84 -47.29 87.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.354 -177.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -61.56 -44.65 96.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.191 0.519 . . . . 0.0 110.052 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.36 -34.4 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.271 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 27.5 m -64.03 -45.1 90.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.741 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -69.39 -37.92 80.01 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.533 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1273 ' ' ARG . . . . . 0.718 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 6.1 tpm_? -60.11 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.534 176.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1274 ' ' PHE . . . . . 0.773 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 82.2 t80 -63.45 -50.02 71.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.317 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.59 -33.03 85.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.639 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -71.09 -50.65 31.45 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.711 -0.288 . . . . 0.0 110.688 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.43 -33.13 75.16 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.032 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' 1309 ' ' SER . 75.0 t80 -57.86 -44.56 86.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.164 175.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1279 ' ' SER . . . . . 0.533 ' O ' ' HG3' ' A' 1283 ' ' GLU . 19.6 m -58.0 -48.6 79.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.889 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 25.3 m -61.57 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.156 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1281 ' ' PHE . . . . . 0.449 ' HE2' HG22 ' A' 1308 ' ' ILE . 86.0 t80 -61.55 -47.37 85.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.043 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.433 HD23 ' HB1' ' A' 1219 ' ' ALA . 23.2 tp -66.24 -37.91 86.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -176.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1283 ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' 1279 ' ' SER . 52.3 mt-10 -64.54 -38.47 91.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.746 0.307 . . . . 0.0 110.597 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.07 85.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.209 0.528 . . . . 0.0 110.139 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1285 ' ' GLY . . . . . 0.602 ' O ' ' HG3' ' A' 1288 ' ' MET . . . -64.07 -44.31 96.0 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.403 177.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.757 HG12 ' HB3' ' A' 1223 ' ' LEU . 23.0 m -73.17 -24.27 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 O-C-N 122.38 -0.483 . . . . 0.0 111.066 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1287 ' ' GLU . . . . . 0.574 ' HA ' ' HG2' ' A' 1229 ' ' PRO . 41.1 tt0 -64.36 -45.76 86.32 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 173.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.603 ' SD ' HG23 ' A' 1301 ' ' VAL . 2.5 ppp? -73.53 -26.56 60.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.061 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -70.76 -29.24 65.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.017 0.437 . . . . 0.0 110.298 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1290 ' ' GLY . . . . . 0.642 ' HA2' HD13 ' A' 1228 ' ' LEU . . . -75.68 -25.51 67.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.605 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' A' 1288 ' ' MET . 5.3 pp0? -85.73 -11.38 53.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.745 0.273 . . . . 0.0 110.759 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1292 ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -69.43 113.44 16.94 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.171 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1293 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 1.7 Cg_endo -81.88 -17.96 8.0 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 123.287 2.658 . . . . 0.0 112.654 -174.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 9.4 m -97.9 131.44 44.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.923 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -67.61 -40.69 84.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -174.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -69.18 -44.19 72.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.492 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -57.04 -42.82 81.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.144 0.497 . . . . 0.0 110.176 175.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.526 ' O ' HG22 ' A' 1302 ' ' VAL . 39.3 ttp180 -67.46 -40.29 85.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.869 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.28 90.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.978 0.418 . . . . 0.0 110.421 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -65.17 -44.51 88.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.205 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.603 HG23 ' SD ' ' A' 1288 ' ' MET . 14.4 p -66.64 -31.83 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.657 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' 1298 ' ' ARG . 77.1 t -65.37 -41.4 91.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.534 0.207 . . . . 0.0 111.247 177.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.0 p -65.55 -27.59 68.55 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.911 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1304 ' ' ASN . . . . . 0.691 ' HB2' HD23 ' A' 1349 ' ' LEU . 35.4 m-20 -70.34 -42.17 72.25 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' 1301 ' ' VAL . 92.2 mt -59.94 -42.02 93.1 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.696 178.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -58.05 -46.78 84.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.608 0.242 . . . . 0.0 110.358 175.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1307 ' ' GLY . . . . . 0.623 ' HA2' ' HE1' ' A' 1310 ' ' MET . . . -55.01 -48.42 67.5 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.619 -177.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1308 ' ' ILE . . . . . 0.449 HG22 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -72.27 -37.12 57.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.395 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1309 ' ' SER . . . . . 0.565 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 61.6 m -63.0 -49.6 74.03 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.886 0.374 . . . . 0.0 111.24 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.623 ' HE1' ' HA2' ' A' 1307 ' ' GLY . 26.2 ptt? -67.28 -34.2 76.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.634 -177.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 50.1 m -69.19 -36.8 77.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.513 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 58.8 m -64.01 -38.68 91.97 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.551 0.691 . . . . 0.0 109.455 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.554 ' O ' ' HG ' ' A' 1317 ' ' LEU . 49.5 m -59.37 -50.42 74.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.308 175.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.591 ' HA ' HD11 ' A' 1317 ' ' LEU . 59.3 mttm -63.98 -35.29 80.2 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.272 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1315 ' ' LEU . . . . . 0.566 HD22 ' HA ' ' A' 1339 ' ' ALA . 45.3 tp -63.52 -48.95 75.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.662 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1316 ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.06 -31.36 72.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.591 HD11 ' HA ' ' A' 1314 ' ' LYS . 96.2 mt -62.05 -38.03 87.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.618 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.51 -38.85 74.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.306 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.66 -35.59 81.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.06 0.457 . . . . 0.0 110.487 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1320 ' ' LYS . . . . . 0.629 ' HA ' HG23 ' A' 1209 ' ' VAL . 18.9 ttmm -55.43 -56.83 15.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.753 174.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.18 70.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.271 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.553 HD23 ' HA ' ' A' 1260 ' ' SER . 44.5 tp -76.84 -28.42 55.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.622 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 47.4 m -72.05 -30.28 65.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.815 0.341 . . . . 0.0 110.579 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 9.2 t -93.69 -20.97 19.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.075 0.464 . . . . 0.0 110.349 177.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 9.6 t0 -132.01 85.82 49.26 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.214 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -91.78 20.62 0.85 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.725 2.283 . . . . 0.0 111.55 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -108.28 -36.31 6.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.926 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.1 m -70.78 112.04 11.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.01 -34.16 71.52 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.872 2.381 . . . . 0.0 112.772 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -62.72 -25.71 68.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.121 0.486 . . . . 0.0 110.832 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.62 -32.42 47.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.083 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.2 mptm? -63.31 -48.76 76.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.108 0.48 . . . . 0.0 110.1 175.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 49.8 m -63.34 -40.59 97.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.713 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -64.73 -41.3 96.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1335 ' ' LEU . . . . . 0.64 HD12 ' HB3' ' A' 1256 ' ' LEU . 2.3 tm? -58.08 -52.33 65.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1336 ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -62.53 -35.83 80.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.133 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -68.39 -43.37 77.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.827 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' 1342 ' ' VAL . . . -65.78 -39.78 91.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.435 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1339 ' ' ALA . . . . . 0.566 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -60.89 -40.73 94.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1340 ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' 1336 ' ' ALA . 34.5 mmt180 -68.52 -33.82 74.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.476 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -67.1 -42.16 85.07 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' 1338 ' ' ALA . 86.8 t -60.19 -51.4 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1343 ' ' THR . . . . . 0.485 ' HA ' HD13 ' A' 1346 ' ' ILE . 28.6 m -59.35 -41.14 88.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.841 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1344 ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' 1348 ' ' GLN . 22.2 t70 -58.85 -48.18 82.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.549 177.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 20.9 m -61.62 -36.5 80.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.633 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.621 ' O ' HG12 ' A' 1350 ' ' ILE . 89.1 mt -57.49 -51.2 72.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.923 174.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -58.36 -39.57 79.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.353 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1348 ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' 1344 ' ' ASP . 12.7 mm100 -66.12 -35.24 79.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.691 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.2 tm? -73.18 -45.04 58.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.621 HG12 ' O ' ' A' 1346 ' ' ILE . 44.0 mm -58.73 -48.73 85.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 91.0 m -57.68 -38.02 74.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.929 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 96.0 mmm -66.18 -29.19 69.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 110.815 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.401 ' SG ' ' HE3' ' A' 1288 ' ' MET . 21.6 m -89.58 -47.84 7.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.585 -178.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 1.4 t -142.52 122.0 13.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -121.26 4.81 10.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.535 0.683 . . . . 0.0 109.445 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -99.09 -13.56 19.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.778 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.715 179.429 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 55.0 mt -85.51 74.88 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 173.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -145.06 146.13 29.72 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.964 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -85.76 31.54 0.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 123.189 2.593 . . . . 0.0 112.556 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 84.1 t80 -119.8 -59.43 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 177.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1205 ' ' THR . . . . . 0.798 ' HA ' ' HB3' ' A' 1268 ' ' ALA . 15.2 m -57.11 -52.65 64.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.194 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -75.88 -28.61 58.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.743 -176.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -74.96 -55.43 5.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.304 -168.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1208 ' ' ASP . . . . . 0.651 ' HA ' ' HB3' ' A' 1211 ' ' ASN . 1.6 m-20 -63.94 -22.72 67.05 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -174.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.521 ' O ' ' HG ' ' A' 1213 ' ' LEU . 45.4 t -68.54 -38.98 79.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.419 0.628 . . . . 0.0 109.308 176.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.49 -33.71 31.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.318 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1211 ' ' ASN . . . . . 0.651 ' HB3' ' HA ' ' A' 1208 ' ' ASP . 31.9 t30 -56.69 -41.94 78.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.158 175.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1212 ' ' ALA . . . . . 0.43 ' O ' HG21 ' A' 1216 ' ' VAL . . . -66.74 -36.1 81.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.727 177.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1213 ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' 1209 ' ' VAL . 66.2 mt -62.74 -41.49 99.22 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 60.5 ttp85 -58.3 -40.45 82.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.068 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -65.28 -51.13 62.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.485 ' HA ' ' CE2' ' A' 1278 ' ' PHE . 73.5 t -58.88 -50.82 78.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.75 -46.24 90.33 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.78 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.17 -45.51 88.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.452 0.168 . . . . 0.0 110.921 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1219 ' ' ALA . . . . . 0.441 ' HB3' HD21 ' A' 1282 ' ' LEU . . . -62.4 -33.44 74.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.012 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 56.4 m -66.54 -42.58 86.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.809 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -78.68 -26.66 44.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.872 0.368 . . . . 0.0 111.043 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -76.43 -42.61 43.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.359 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.51 HD13 ' HG2' ' A' 1283 ' ' GLU . 40.9 mt -110.53 -52.69 2.76 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1224 ' ' LEU . . . . . 0.624 ' O ' ' HG ' ' A' 1224 ' ' LEU . 55.7 tp -88.36 25.77 1.59 Allowed 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 121.629 0.728 . . . . 0.0 110.963 -169.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 15.8 p -98.36 -65.78 0.94 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 19.2 t70 -149.01 -63.53 0.23 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.952 0.406 . . . . 0.0 110.692 -177.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 83.0 mt -78.29 108.19 11.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.063 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.29 160.18 32.47 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.552 176.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1229 ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -51.0 145.41 24.95 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.049 2.499 . . . . 0.0 112.889 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.6 157.58 54.66 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.986 2.457 . . . . 0.0 112.493 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 20.2 m -73.28 92.25 1.77 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.291 0.567 . . . . 0.0 110.048 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 8.1 t -120.45 127.25 52.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.001 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 82.24 -159.18 38.89 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.406 -175.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 72.9 p -119.73 -178.64 3.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.04 0.42 . . . . 0.0 110.586 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -65.45 -23.77 67.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.604 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -62.17 -51.27 68.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.938 0.399 . . . . 0.0 110.401 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -62.61 -38.66 91.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.403 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.73 92.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.428 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1239 ' ' GLN . . . . . 0.496 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 36.3 tt0 -62.27 -51.88 65.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.755 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 49.4 m -61.09 -32.38 72.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1241 ' ' ARG . . . . . 0.423 ' HG2' ' HB3' ' A' 1284 ' ' ALA . 33.8 ttm180 -71.51 -41.07 69.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 178.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.92 -42.13 88.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.983 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -58.05 -45.29 87.27 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.28 -46.35 61.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.668 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1245 ' ' ALA . . . . . 0.744 ' HB3' ' HA ' ' A' 1281 ' ' PHE . . . -64.01 -36.3 83.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.075 -176.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1246 ' ' ALA . . . . . 0.548 ' HB3' HD13 ' A' 1350 ' ' ILE . . . -62.12 -53.43 55.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.153 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.51 72.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.253 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.71 -46.24 92.48 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.825 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 29.5 tp -74.98 -29.84 61.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.65 0.262 . . . . 0.0 110.644 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 10.2 m120 -59.22 -44.64 92.29 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.323 0.582 . . . . 0.0 109.74 173.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1251 ' ' GLN . . . . . 0.454 ' O ' ' HB ' ' A' 1254 ' ' THR . 24.7 tm0? -71.48 -38.3 71.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.844 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1252 ' ' ALA . . . . . 0.725 ' HB2' ' HA ' ' A' 1274 ' ' PHE . . . -60.53 -44.0 96.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.136 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1253 ' ' ALA . . . . . 0.5 ' O ' HG21 ' A' 1257 ' ' VAL . . . -65.17 -39.12 92.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.869 0.366 . . . . 0.0 110.155 176.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1254 ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' 1251 ' ' GLN . 52.0 m -54.37 -41.25 68.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.884 175.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' 1251 ' ' GLN . 8.8 mm-40 -59.19 -45.34 91.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1256 ' ' LEU . . . . . 0.534 ' HB3' HD22 ' A' 1335 ' ' LEU . 26.7 mt -64.73 -37.04 86.24 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 121.111 -0.235 . . . . 0.0 110.711 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1257 ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' 1253 ' ' ALA . 64.7 t -57.96 -49.87 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.855 0.36 . . . . 0.0 110.554 177.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -66.81 -43.91 82.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.297 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1259 ' ' ALA . . . . . 0.561 ' HB1' ' HA ' ' A' 1267 ' ' LEU . . . -59.65 -39.99 86.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.095 -176.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1260 ' ' SER . . . . . 0.44 ' HB3' HD11 ' A' 1335 ' ' LEU . 97.8 p -58.35 -34.06 70.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.115 0.484 . . . . 0.0 110.591 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -102.45 21.42 15.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.732 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -125.68 -99.2 1.17 Allowed Glycine 0 N--CA 1.436 -1.317 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 43.3 p -137.49 153.37 74.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 120.514 0.197 . . . . 0.0 110.988 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -59.07 -29.34 90.34 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.671 2.247 . . . . 0.0 111.643 174.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.34 -45.65 83.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.469 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.04 -43.28 83.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.453 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.561 ' HA ' ' HB1' ' A' 1259 ' ' ALA . 42.1 tp -56.14 -45.99 79.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.391 178.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1268 ' ' ALA . . . . . 0.798 ' HB3' ' HA ' ' A' 1205 ' ' THR . . . -61.11 -49.6 76.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -63.95 -36.75 85.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.905 0.384 . . . . 0.0 110.388 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.63 86.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1271 ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' 1268 ' ' ALA . 37.5 m -55.76 -43.46 76.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.691 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.57 -38.42 96.27 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.249 -176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -72.1 -43.77 64.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.621 0.248 . . . . 0.0 110.508 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1274 ' ' PHE . . . . . 0.725 ' HA ' ' HB2' ' A' 1252 ' ' ALA . 83.8 t80 -55.76 -50.82 69.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.426 -176.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.72 -35.55 92.17 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.408 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.74 -48.94 57.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.682 0.277 . . . . 0.0 110.932 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -33.1 74.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.093 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' 1216 ' ' VAL . 72.5 t80 -59.64 -44.76 93.39 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.711 0.291 . . . . 0.0 110.265 175.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1279 ' ' SER . . . . . 0.558 ' O ' ' HG3' ' A' 1283 ' ' GLU . 47.1 m -58.27 -47.45 83.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.42 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 27.3 m -60.33 -44.51 95.42 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1281 ' ' PHE . . . . . 0.744 ' HA ' ' HB3' ' A' 1245 ' ' ALA . 85.3 t80 -61.86 -45.72 92.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.979 178.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.606 ' O ' HG22 ' A' 1286 ' ' VAL . 31.2 tp -66.29 -41.65 89.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.79 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1283 ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' 1279 ' ' SER . 50.3 mt-10 -58.37 -39.54 79.85 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.764 0.316 . . . . 0.0 110.593 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1284 ' ' ALA . . . . . 0.423 ' HB3' ' HG2' ' A' 1241 ' ' ARG . . . -70.25 -42.14 72.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.772 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1285 ' ' GLY . . . . . 0.594 ' O ' ' HG3' ' A' 1288 ' ' MET . . . -61.93 -49.65 73.46 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.661 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' 1282 ' ' LEU . 10.0 t -69.15 -24.44 28.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.156 0.503 . . . . 0.0 110.007 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1287 ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' 1291 ' ' GLN . 35.5 tt0 -65.94 -46.89 76.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.245 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.721 ' SD ' HG22 ' A' 1301 ' ' VAL . 3.8 ppp? -70.21 -28.82 65.59 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.81 73.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.113 0.482 . . . . 0.0 109.928 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -72.78 -28.44 67.07 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.964 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' 1287 ' ' GLU . 81.3 mm-40 -62.15 -44.96 95.46 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 175.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -62.52 116.3 22.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.499 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.73 -32.52 1.53 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.16 2.573 . . . . 0.0 112.679 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 35.3 m -77.89 134.47 37.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.825 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -66.05 -41.04 91.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.378 -176.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.02 -35.71 81.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.608 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -73.88 -43.03 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.901 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.528 ' O ' HG23 ' A' 1302 ' ' VAL . 36.6 ttm180 -64.13 -52.92 56.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.285 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.82 67.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.372 -177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -64.74 -52.96 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.431 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.721 HG22 ' SD ' ' A' 1288 ' ' MET . 10.2 p -70.23 -29.12 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.167 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' 1298 ' ' ARG . 78.7 t -64.38 -31.36 53.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.161 0.505 . . . . 0.0 110.46 175.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 49.5 m -68.09 -37.34 81.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.253 175.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1304 ' ' ASN . . . . . 0.612 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 49.0 m-20 -62.94 -44.51 95.86 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' 1302 ' ' VAL . 96.0 mt -55.95 -51.3 68.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.322 -178.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -64.29 -38.93 92.8 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.44 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1307 ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' 1310 ' ' MET . . . -57.6 -44.79 93.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.733 -178.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1308 ' ' ILE . . . . . 0.423 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -77.89 -36.54 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 122.506 -0.408 . . . . 0.0 110.363 178.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1309 ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 56.3 m -62.22 -38.78 90.47 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.883 0.373 . . . . 0.0 111.21 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.774 ' O ' ' HD3' ' A' 1314 ' ' LYS . 0.0 OUTLIER -74.03 -36.19 64.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.021 178.413 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 70.7 m -61.19 -43.19 99.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.658 0.265 . . . . 0.0 110.983 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 9.9 p -69.0 -37.37 78.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.335 0.588 . . . . 0.0 110.324 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.406 ' O ' ' HG ' ' A' 1317 ' ' LEU . 42.1 t -60.89 -52.78 63.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.515 176.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.774 ' HD3' ' O ' ' A' 1310 ' ' MET . 3.6 mptp? -64.84 -29.85 70.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.947 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1315 ' ' LEU . . . . . 0.643 HD22 ' HA ' ' A' 1339 ' ' ALA . 19.1 tp -62.48 -51.95 65.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 111.038 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' 1320 ' ' LYS . 81.7 mt -60.88 -26.66 67.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.398 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' 1314 ' ' LYS . 96.8 mt -60.35 -35.26 75.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -71.28 -33.38 69.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.949 0.404 . . . . 0.0 110.242 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.95 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.692 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1320 ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' 1316 ' ' LEU . 41.3 mtpt -58.55 -54.04 51.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.04 177.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -67.0 -33.18 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.196 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.858 HD11 ' HZ3' ' A' 1332 ' ' LYS . 34.7 tp -70.15 -23.75 63.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.06 -177.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 50.5 m -78.14 -23.28 47.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.972 0.415 . . . . 0.0 110.178 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 35.7 m -83.01 -52.14 6.93 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.626 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.16 88.46 51.14 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.941 176.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -76.24 -15.48 18.08 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 123.069 2.513 . . . . 0.0 113.549 -171.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -91.37 2.33 56.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 4.8 m -72.94 112.22 14.52 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.134 -177.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -60.28 -53.15 3.2 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.461 2.774 . . . . 0.0 113.75 -174.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -70.93 -18.12 62.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.14 0.495 . . . . 0.0 110.909 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 15.2 tp -70.99 -25.27 62.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.764 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.858 ' HZ3' HD11 ' A' 1322 ' ' LEU . 4.9 mptp? -71.01 -50.89 29.19 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.079 173.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 5.1 p -64.44 -35.06 79.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.501 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -61.27 -44.06 97.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.877 0.37 . . . . 0.0 110.278 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1335 ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' 1256 ' ' LEU . 7.0 tt -66.19 -45.09 82.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.876 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -59.09 -41.64 88.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.989 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.75 78.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' 1342 ' ' VAL . . . -68.47 -41.23 80.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.777 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1339 ' ' ALA . . . . . 0.643 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -64.89 -35.49 81.31 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.165 0.507 . . . . 0.0 110.249 177.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -64.13 -41.7 97.11 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.88 175.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.47 96.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.673 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' 1338 ' ' ALA . 61.4 t -56.56 -50.09 74.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.853 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 39.5 m -58.82 -45.53 89.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.315 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -64.07 -38.68 91.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.476 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 73.8 m -68.73 -38.3 80.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.724 0.297 . . . . 0.0 110.962 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' 1342 ' ' VAL . 92.3 mt -59.15 -49.23 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 173.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -56.01 -45.22 79.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.755 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -55.93 -41.86 75.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.804 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.506 HD13 HD21 ' A' 1305 ' ' LEU . 0.5 OUTLIER -67.25 -39.71 86.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.548 HD13 ' HB3' ' A' 1246 ' ' ALA . 38.5 mm -71.19 -38.26 69.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.202 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 15.6 m -62.81 -30.54 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.195 0.521 . . . . 0.0 110.573 177.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 23.9 mmt -80.14 -46.04 17.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.139 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 40.8 t -72.6 -53.85 10.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.148 0.499 . . . . 0.0 111.09 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 17.0 m -101.9 89.38 3.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.245 0.545 . . . . 0.0 110.087 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -88.07 107.93 18.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.482 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1356 ' ' GLN . . . . . 0.768 ' HA ' HE21 ' A' 1356 ' ' GLN . 0.0 OUTLIER -92.28 -24.06 19.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.361 174.717 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.692 178.336 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 44.0 pt -118.06 176.99 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.54 0.209 . . . . 0.0 110.596 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1202 ' ' ASP . . . . . 0.483 ' OD2' ' HG3' ' A' 1207 ' ' ARG . 23.0 t70 -133.07 106.73 12.44 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.943 178.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1203 ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' 1202 ' ' ASP . 18.3 Cg_endo -60.7 -52.29 3.93 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.466 2.11 . . . . 0.0 111.21 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1204 ' ' PHE . . . . . 0.436 ' HD1' ' HD2' ' A' 1207 ' ' ARG . 41.3 t80 -176.55 75.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.168 173.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1205 ' ' THR . . . . . 0.471 ' HB ' ' OD1' ' A' 1202 ' ' ASP . 34.0 m -132.6 -62.28 0.83 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.659 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.683 ' O ' HG23 ' A' 1209 ' ' VAL . 27.6 mt-30 -63.46 -28.77 70.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.142 0.496 . . . . 0.0 109.798 175.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.483 ' HG3' ' OD2' ' A' 1202 ' ' ASP . 40.5 mtt180 -63.28 -18.48 63.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.358 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1208 ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' 1205 ' ' THR . 1.0 OUTLIER -62.96 -40.56 98.06 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.446 0.165 . . . . 0.0 111.253 177.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' 1206 ' ' GLN . 16.0 m -73.75 -30.16 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.955 0.407 . . . . 0.0 110.106 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -73.81 -44.47 55.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.555 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.36 -39.84 88.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.129 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.8 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.628 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1213 ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' 1209 ' ' VAL . 41.3 mt -63.07 -38.22 90.32 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.912 177.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -67.03 -41.12 87.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.455 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -55.96 -45.0 79.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.509 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.555 HG13 ' CE2' ' A' 1278 ' ' PHE . 47.8 t -70.16 -40.23 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.426 176.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.34 -45.72 92.6 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.12 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -65.56 -44.27 87.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.609 -0.348 . . . . 0.0 110.535 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.71 98.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.597 -177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1220 ' ' SER . . . . . 0.446 ' HA ' HD21 ' A' 1224 ' ' LEU . 8.4 p -63.74 -37.62 88.06 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.211 -0.196 . . . . 0.0 111.458 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -78.63 -31.71 47.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.014 0.435 . . . . 0.0 111.576 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -71.96 -42.85 66.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.912 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.603 ' HB3' ' CG1' ' A' 1286 ' ' VAL . 48.8 mt -98.22 -59.78 1.68 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.592 -171.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1224 ' ' LEU . . . . . 0.511 HD13 HG13 ' A' 1302 ' ' VAL . 3.3 mm? -71.76 96.31 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.121 0.486 . . . . 0.0 109.875 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 5.9 p -151.01 176.55 11.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.687 -174.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -92.07 -41.93 10.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 4.5 tt -100.49 89.6 4.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 175.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 3.7 pp -110.67 144.04 29.43 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.775 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1229 ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -51.77 141.55 44.28 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.025 2.483 . . . . 0.0 112.23 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.09 63.55 6.07 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.971 2.448 . . . . 0.0 112.95 -176.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1231 ' ' SER . . . . . 0.448 ' O ' ' HA3' ' A' 1290 ' ' GLY . 17.4 p -78.78 99.97 6.92 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1232 ' ' THR . . . . . 0.781 HG23 ' HA ' ' A' 1291 ' ' GLN . 11.9 m -132.9 81.03 1.92 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.946 0.403 . . . . 0.0 111.472 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -89.81 -171.15 44.67 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.199 171.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 38.0 p -80.86 156.96 25.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.057 0.429 . . . . 0.0 110.111 177.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1235 ' ' PHE . . . . . 0.442 ' HA ' ' OE1' ' A' 1291 ' ' GLN . 45.2 p90 -59.04 -30.95 68.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.787 0.327 . . . . 0.0 111.112 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -72.22 -49.57 34.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.387 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.62 -35.77 81.79 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.92 0.391 . . . . 0.0 110.499 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -69.83 -47.82 61.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.863 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.8 -47.39 82.72 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.631 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 9.0 t -61.38 -36.85 81.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.958 0.408 . . . . 0.0 110.352 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -72.79 -46.66 52.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.553 0.692 . . . . 0.0 109.649 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.444 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 48.8 tp -64.04 -41.67 97.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.082 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -64.77 -38.24 90.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.156 0.503 . . . . 0.0 110.035 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.71 -48.65 76.24 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.099 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.56 95.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.651 -177.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1246 ' ' ALA . . . . . 0.442 ' HB2' HD13 ' A' 1350 ' ' ILE . . . -56.66 -51.77 67.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.926 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.2 75.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.522 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.69 -39.39 77.52 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.152 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.3 tp -73.39 -30.09 63.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.56 0.219 . . . . 0.0 110.651 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -56.46 -46.6 80.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.05 0.452 . . . . 0.0 110.094 174.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1251 ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' 1255 ' ' GLU . 51.3 tp60 -73.15 -29.64 63.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.412 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1252 ' ' ALA . . . . . 0.579 ' HB2' ' HA ' ' A' 1274 ' ' PHE . . . -60.67 -45.03 95.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.865 0.364 . . . . 0.0 110.413 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.71 80.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.459 0.647 . . . . 0.0 109.905 174.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1254 ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' 1251 ' ' GLN . 43.6 m -58.89 -40.08 83.36 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.148 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' 1251 ' ' GLN . 57.2 mm-40 -60.57 -41.57 94.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1256 ' ' LEU . . . . . 0.499 ' HB3' HD22 ' A' 1335 ' ' LEU . 34.3 mt -63.74 -37.02 85.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.61 0.243 . . . . 0.0 111.05 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 53.2 t -64.29 -46.21 93.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.04 0.447 . . . . 0.0 110.418 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -63.62 -33.99 76.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.299 0.571 . . . . 0.0 110.456 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1259 ' ' ALA . . . . . 0.435 ' HB2' HD23 ' A' 1267 ' ' LEU . . . -69.62 -30.37 68.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.078 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1260 ' ' SER . . . . . . . . . . . . . 45.5 m -60.51 -36.57 78.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.163 0.506 . . . . 0.0 110.483 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -99.95 20.23 14.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.241 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.19 -97.63 1.54 Allowed Glycine 0 N--CA 1.439 -1.142 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 43.0 p -145.66 155.24 52.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.738 0.269 . . . . 0.0 110.897 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1264 ' ' PRO . . . . . 0.751 ' HA ' HD13 ' A' 1267 ' ' LEU . 9.3 Cg_endo -55.07 -34.99 89.32 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.008 2.472 . . . . 0.0 112.032 172.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -72.07 -33.31 67.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.709 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.11 -39.6 71.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' 1264 ' ' PRO . 35.1 mt -53.95 -48.37 70.33 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.591 172.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.69 67.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.386 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -63.45 -37.15 86.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 0.0 110.271 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.87 78.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.769 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1271 ' ' SER . . . . . 0.516 ' OG ' HG11 ' A' 1209 ' ' VAL . 21.0 m -64.98 -40.77 95.46 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.97 -38.06 95.51 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.077 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1273 ' ' ARG . . . . . 0.503 ' HA ' ' HE ' ' A' 1273 ' ' ARG . 0.3 OUTLIER -71.66 -50.86 26.63 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 177.547 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1274 ' ' PHE . . . . . 0.579 ' HA ' ' HB2' ' A' 1252 ' ' ALA . 84.0 t80 -56.95 -51.3 69.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.401 -177.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.32 -44.05 98.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.152 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1276 ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' 1276 ' ' GLN . 6.7 tp60 -72.12 -39.65 68.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -176.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.61 -38.49 77.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.296 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.555 ' CE2' HG13 ' A' 1216 ' ' VAL . 63.8 t80 -55.16 -39.58 69.68 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.334 177.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 14.3 t -53.69 -49.86 67.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.973 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 31.7 m -63.78 -37.97 89.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.261 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1281 ' ' PHE . . . . . 0.437 ' HE2' HG23 ' A' 1308 ' ' ILE . 85.2 t80 -63.21 -50.62 69.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.92 177.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.451 HD13 HD22 ' A' 1224 ' ' LEU . 26.0 tp -65.24 -36.87 85.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 -176.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1283 ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' 1286 ' ' VAL . 43.6 mt-10 -65.32 -27.63 68.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -76.06 -25.53 55.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.209 0.528 . . . . 0.0 110.428 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -66.5 -34.54 88.02 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.644 -0.707 . . . . 0.0 113.014 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.603 ' CG1' ' HB3' ' A' 1223 ' ' LEU . 34.2 m -72.48 -23.34 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.872 0.336 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.44 -36.41 84.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.516 ' O ' ' HG2' ' A' 1291 ' ' GLN . 68.0 mmm -72.18 -50.33 28.56 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.577 176.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1289 ' ' ALA . . . . . 0.404 ' HA ' HG13 ' A' 1301 ' ' VAL . . . -63.28 -33.61 75.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.254 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1290 ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' 1231 ' ' SER . . . -77.34 -22.7 69.94 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.963 -178.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.781 ' HA ' HG23 ' A' 1232 ' ' THR . 3.5 pt20 -89.8 0.03 57.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.078 0.466 . . . . 0.0 110.216 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1292 ' ' ALA . . . . . 0.442 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -93.25 111.42 51.86 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.827 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1293 ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.5 Cg_exo -74.49 -43.09 0.52 Allowed 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.212 2.608 . . . . 0.0 112.666 -176.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 9.4 m -72.98 129.18 37.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.107 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -61.14 -37.62 83.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.322 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -66.11 -44.41 84.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.006 0.431 . . . . 0.0 110.389 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.52 -41.23 93.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.156 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.43 ' O ' HG22 ' A' 1302 ' ' VAL . 40.9 ttm180 -62.87 -43.49 98.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.321 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -62.97 -38.35 90.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.532 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -61.0 -48.64 80.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.283 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.404 HG13 ' HA ' ' A' 1289 ' ' ALA . 12.3 p -68.53 -32.74 56.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 120.682 0.277 . . . . 0.0 110.709 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.511 HG13 HD13 ' A' 1224 ' ' LEU . 42.9 t -67.82 -31.54 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.395 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 55.7 m -54.82 -40.99 70.13 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.723 0.297 . . . . 0.0 111.25 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1304 ' ' ASN . . . . . 0.767 ' HB2' HD21 ' A' 1349 ' ' LEU . 2.6 m-80 -73.57 -36.39 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' 1302 ' ' VAL . 97.4 mt -59.64 -48.2 82.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.313 178.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -62.03 -46.48 88.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.964 175.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.17 -49.46 59.52 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.335 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1308 ' ' ILE . . . . . 0.485 HD13 ' O ' ' A' 1308 ' ' ILE . 0.0 OUTLIER -74.21 -35.48 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 110.464 -0.198 . . . . 0.0 110.464 -178.173 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1309 ' ' SER . . . . . 0.531 ' HA ' ' CZ ' ' A' 1278 ' ' PHE . 28.1 t -66.69 -39.29 88.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.055 0.455 . . . . 0.0 110.887 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' 1314 ' ' LYS . 54.9 mtt -77.47 -39.89 44.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.119 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 64.3 m -65.3 -35.46 81.07 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.061 -0.255 . . . . 0.0 111.2 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 10.5 p -68.12 -38.14 81.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.138 0.494 . . . . 0.0 110.086 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.54 ' O ' ' HG ' ' A' 1317 ' ' LEU . 71.0 m -57.78 -50.6 72.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.149 173.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.495 ' HA ' HD11 ' A' 1317 ' ' LEU . 57.5 mttm -65.0 -31.97 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.043 -178.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.31 -49.04 73.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.068 0.461 . . . . 0.0 110.608 176.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' 1320 ' ' LYS . 81.5 mt -66.23 -30.31 70.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' 1313 ' ' SER . 93.0 mt -61.18 -41.37 96.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 110.476 175.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -65.05 -36.4 84.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.322 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.88 82.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.959 178.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1320 ' ' LYS . . . . . 0.572 ' HG2' ' CG2' ' A' 1209 ' ' VAL . 5.7 mtpm? -57.33 -55.24 37.28 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.405 0.621 . . . . 0.0 110.071 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.47 87.6 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.163 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1322 ' ' LEU . . . . . . . . . . . . . 23.4 tp -70.17 -27.42 64.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.139 -177.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1323 ' ' SER . . . . . 0.48 ' HA ' ' HB3' ' A' 1264 ' ' PRO . 50.3 m -73.77 -28.75 61.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.863 0.363 . . . . 0.0 110.578 176.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 34.7 p -88.21 -30.52 19.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 110.97 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 23.2 t0 -134.28 86.06 37.03 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.941 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -87.77 10.72 3.38 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 122.592 2.194 . . . . 0.0 112.491 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -103.9 -5.11 22.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.128 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 67.3 m -85.68 113.41 51.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.057 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.96 -43.08 16.78 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.784 2.323 . . . . 0.0 112.631 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 6.1 t30 -64.49 -30.63 71.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.008 0.432 . . . . 0.0 110.637 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 12.1 tp -66.59 -33.88 76.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.55 -178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1332 ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -65.14 -46.22 81.79 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.113 0.482 . . . . 0.0 110.298 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 19.2 m -66.13 -37.08 84.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.09 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -64.71 -45.36 86.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1335 ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' 1256 ' ' LEU . 9.0 tt -60.56 -44.09 96.54 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.07 77.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.029 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -70.24 -35.3 73.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 110.783 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' 1342 ' ' VAL . . . -72.23 -40.42 67.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.469 176.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -61.83 -36.97 82.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.1 0.476 . . . . 0.0 110.461 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -58.68 -46.39 87.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.942 173.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.4 98.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.836 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' 1346 ' ' ILE . 85.0 t -61.87 -53.02 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.515 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1343 ' ' THR . . . . . 0.487 ' HA ' HD13 ' A' 1346 ' ' ILE . 27.4 m -61.86 -38.84 89.75 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.046 0.45 . . . . 0.0 110.688 -177.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.93 -50.25 74.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.825 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 54.0 m -68.35 -29.73 68.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.387 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.59 ' O ' HG12 ' A' 1350 ' ' ILE . 95.1 mt -58.73 -54.83 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.094 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 174.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -68.03 -38.75 82.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.846 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -57.03 -37.95 72.47 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.037 0.446 . . . . 0.0 110.644 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -67.97 -46.78 70.43 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.387 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' 1346 ' ' ILE . 40.9 mm -61.08 -44.66 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.295 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 87.4 m -49.61 -50.31 43.26 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.642 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 18.2 ptp -80.54 -27.37 37.6 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.411 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.515 ' HB3' ' HE3' ' A' 1288 ' ' MET . 98.7 m -67.26 -49.56 63.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.536 0.208 . . . . 0.0 111.538 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 13.2 t -79.48 127.73 32.48 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 49.3 tt0 64.59 -89.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.576 -171.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 4.9 pt20 174.49 170.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.847 173.788 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 5.7 tp -156.06 -54.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.583 0.192 . . . . 0.0 111.052 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1202 ' ' ASP . . . . . 0.48 ' HA ' ' HD3' ' A' 1203 ' ' PRO . 21.8 m-20 -128.79 142.27 44.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 120.645 0.26 . . . . 0.0 110.742 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1203 ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' 1202 ' ' ASP . 8.3 Cg_exo -72.51 115.9 4.51 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.793 2.328 . . . . 0.0 111.624 176.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 44.5 p90 -67.02 167.26 12.13 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1205 ' ' THR . . . . . 0.407 ' HA ' ' CB ' ' A' 1268 ' ' ALA . 20.3 m 83.22 -22.46 0.24 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.449 0.7 . . . . 0.0 110.112 -174.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -113.87 -42.9 3.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.1 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -75.43 -17.93 60.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.587 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.41 -42.22 66.79 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.778 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 33.1 m -63.7 -28.82 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.034 0.445 . . . . 0.0 111.042 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -82.91 -45.02 14.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.675 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -60.94 -33.06 72.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.11 98.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.342 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1213 ' ' LEU . . . . . 0.487 HD11 ' HD2' ' A' 1320 ' ' LYS . 42.7 mt -66.55 -32.49 73.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 178.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -64.89 -48.59 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.982 175.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -59.23 -47.96 83.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.436 HG13 ' CE2' ' A' 1278 ' ' PHE . 97.2 t -62.0 -36.88 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.015 0.436 . . . . 0.0 110.147 176.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.75 -45.49 94.24 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.561 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -55.21 -49.91 70.74 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.15 0.5 . . . . 0.0 110.32 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1219 ' ' ALA . . . . . 0.696 ' HB2' HD22 ' A' 1282 ' ' LEU . . . -64.2 -40.58 96.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.916 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1220 ' ' SER . . . . . 0.551 ' O ' ' HB2' ' A' 1224 ' ' LEU . 50.0 m -67.17 -32.21 73.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.929 0.395 . . . . 0.0 111.03 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 84.6 tttt -76.75 -43.85 35.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.889 0.376 . . . . 0.0 110.814 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -69.03 -53.29 21.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.157 0.503 . . . . 0.0 111.559 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.749 ' HB3' HG23 ' A' 1286 ' ' VAL . 56.5 mt -91.24 -42.79 10.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.746 -165.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1224 ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' A' 1220 ' ' SER . 3.9 mm? -78.22 68.8 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.561 0.696 . . . . 0.0 110.632 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 59.3 p -166.59 -167.6 1.02 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.926 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.99 89.48 4.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.312 0.577 . . . . 0.0 109.747 175.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 56.8 tp -147.64 114.97 6.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.088 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1228 ' ' LEU . . . . . 0.644 ' HB2' ' HA2' ' A' 1290 ' ' GLY . 3.7 pp -141.09 134.42 14.61 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.124 176.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1229 ' ' PRO . . . . . 0.963 ' HD2' ' HA3' ' A' 1290 ' ' GLY . 50.5 Cg_exo -57.53 109.88 0.54 Allowed 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.599 2.2 . . . . 0.0 111.04 170.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -88.22 18.27 1.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.839 2.359 . . . . 0.0 113.781 -170.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 4.4 t -164.22 166.19 21.27 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.346 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 69.0 p 55.58 -165.84 0.11 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.024 0.93 . . . . 0.0 112.58 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1233 ' ' GLY . . . . . 0.456 ' HA3' ' NE2' ' A' 1291 ' ' GLN . . . 91.58 122.75 2.86 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.746 178.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 24.2 p -93.19 6.19 48.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.884 0.373 . . . . 0.0 110.598 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 87.4 t80 69.24 -58.1 0.51 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.567 -177.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -62.53 -33.94 75.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.624 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.89 -38.56 79.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.168 0.508 . . . . 0.0 110.29 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.59 76.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.066 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1239 ' ' GLN . . . . . 0.403 ' NE2' HG22 ' A' 1354 ' ' THR . 14.2 tt0 -62.93 -42.72 99.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.661 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 22.6 m -58.1 -36.28 72.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.195 0.522 . . . . 0.0 110.628 176.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -67.29 -36.15 80.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.316 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.525 HD22 ' HB1' ' A' 1284 ' ' ALA . 3.7 mm? -60.29 -36.33 77.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.097 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.69 -47.41 75.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.99 0.424 . . . . 0.0 110.583 -176.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.46 -44.37 78.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.774 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1245 ' ' ALA . . . . . 0.466 ' HB2' ' HA ' ' A' 1281 ' ' PHE . . . -67.55 -36.96 81.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.59 -177.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.19 95.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.208 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.17 86.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.743 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -64.25 -49.47 65.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.082 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1249 ' ' LEU . . . . . 0.445 HD11 ' HB2' ' A' 1252 ' ' ALA . 34.4 tp -70.68 -31.32 68.17 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.827 -0.22 . . . . 0.0 110.818 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -52.71 -51.29 61.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.324 0.583 . . . . 0.0 109.726 173.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1251 ' ' GLN . . . . . 0.464 ' O ' ' HG3' ' A' 1255 ' ' GLU . 52.1 tt0 -69.51 -36.4 76.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.766 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1252 ' ' ALA . . . . . 0.661 ' HB3' ' HA ' ' A' 1274 ' ' PHE . . . -57.76 -47.53 82.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.969 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1253 ' ' ALA . . . . . 0.557 ' O ' HG21 ' A' 1257 ' ' VAL . . . -64.98 -40.26 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 0.0 110.223 175.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.4 m -55.59 -40.75 72.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.161 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' 1251 ' ' GLN . 36.0 mt-10 -67.64 -30.25 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.297 -178.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1256 ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' 1256 ' ' LEU . 9.4 mt -70.1 -37.21 75.32 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.658 0.266 . . . . 0.0 110.306 173.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1257 ' ' VAL . . . . . 0.557 HG21 ' O ' ' A' 1253 ' ' ALA . 21.9 t -61.99 -56.98 14.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.765 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -65.17 -30.98 71.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.337 -176.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1259 ' ' ALA . . . . . 0.437 ' HB3' HD23 ' A' 1267 ' ' LEU . . . -59.84 -31.53 69.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.905 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1260 ' ' SER . . . . . 0.542 ' HB2' ' HG3' ' A' 1332 ' ' LYS . 95.9 p -65.26 -27.53 68.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.874 0.368 . . . . 0.0 111.284 -176.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -101.17 11.91 38.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -119.92 -69.39 0.31 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.327 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 2.0 t -164.95 142.85 5.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.825 0.345 . . . . 0.0 111.082 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1264 ' ' PRO . . . . . 0.695 ' HA ' HD12 ' A' 1267 ' ' LEU . 54.2 Cg_exo -55.51 -24.66 45.38 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.203 2.602 . . . . 0.0 112.26 175.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -69.49 -30.6 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.458 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 26.1 t0 -80.42 -31.13 37.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.76 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' 1264 ' ' PRO . 79.2 mt -57.2 -35.71 69.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.35 172.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1268 ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' 1271 ' ' SER . . . -66.69 -48.57 68.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.624 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -57.92 -45.36 86.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.207 176.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.63 -35.53 80.83 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.137 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1271 ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' 1268 ' ' ALA . 36.0 m -57.39 -49.74 75.21 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.981 175.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -66.67 -41.78 93.69 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.331 -0.937 . . . . 0.0 111.656 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1273 ' ' ARG . . . . . 0.423 ' HG2' ' OE2' ' A' 1255 ' ' GLU . 15.7 tpp180 -59.83 -52.41 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.33 . . . . 0.0 111.021 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1274 ' ' PHE . . . . . 0.661 ' HA ' ' HB3' ' A' 1252 ' ' ALA . 74.3 t80 -58.24 -51.33 70.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.235 -176.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.5 -34.66 90.54 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.773 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.15 -52.34 19.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.778 0.323 . . . . 0.0 110.761 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -32.07 72.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.099 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.436 ' CE2' HG13 ' A' 1216 ' ' VAL . 76.7 t80 -60.63 -42.21 96.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.725 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 50.2 m -58.47 -40.41 82.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.835 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 41.6 m -69.1 -41.3 77.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1281 ' ' PHE . . . . . 0.466 ' HA ' ' HB2' ' A' 1245 ' ' ALA . 90.7 t80 -65.25 -45.86 82.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.192 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.696 HD22 ' HB2' ' A' 1219 ' ' ALA . 27.4 tp -63.44 -42.38 98.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.263 -175.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1283 ' ' GLU . . . . . 0.471 ' HG2' HD12 ' A' 1223 ' ' LEU . 43.2 mt-10 -61.82 -33.37 74.02 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.756 0.312 . . . . 0.0 111.03 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1284 ' ' ALA . . . . . 0.525 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -63.94 -41.57 97.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -64.91 -37.26 94.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.233 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.749 HG23 ' HB3' ' A' 1223 ' ' LEU . 56.4 t -65.61 -33.24 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.595 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1287 ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' A' 1291 ' ' GLN . 6.3 tp10 -58.08 -46.33 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.492 ' HE2' ' HB3' ' A' 1353 ' ' CYS . 57.1 mtp -64.19 -42.65 96.56 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.658 177.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -57.56 -33.4 68.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.32 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1290 ' ' GLY . . . . . 0.963 ' HA3' ' HD2' ' A' 1229 ' ' PRO . . . -76.85 -29.1 57.83 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.174 177.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' 1287 ' ' GLU . 15.4 mm100 -76.03 -16.42 59.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.763 0.316 . . . . 0.0 110.824 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1292 ' ' ALA . . . . . 0.448 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -60.92 136.02 93.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1293 ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 32.1 Cg_exo -58.89 -51.4 6.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.939 2.426 . . . . 0.0 112.705 -177.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 40.3 t -106.56 153.59 22.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -60.95 -28.23 68.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.972 174.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -69.14 -29.74 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.243 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -80.19 -35.83 35.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.542 175.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.454 ' O ' HG21 ' A' 1302 ' ' VAL . 38.5 ttp180 -54.46 -50.81 66.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.101 173.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.02 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.254 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -63.15 -45.42 91.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.729 0.299 . . . . 0.0 110.471 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.421 ' O ' ' HG ' ' A' 1305 ' ' LEU . 21.4 t -68.58 -40.74 82.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 110.414 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.528 ' HA ' HD12 ' A' 1305 ' ' LEU . 98.3 t -67.48 -35.07 72.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.737 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 6.1 p -69.38 -29.31 67.05 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.151 -0.343 . . . . 0.0 110.954 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -67.04 -44.14 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 172.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' 1302 ' ' VAL . 93.8 mt -59.4 -36.28 75.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -55.11 -42.51 73.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.774 -0.193 . . . . 0.0 111.083 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -58.39 -43.88 95.51 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.511 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.67 -36.28 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 122.685 -0.303 . . . . 0.0 110.506 -178.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 50.5 m -63.27 -51.35 66.48 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.761 0.315 . . . . 0.0 110.987 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.551 ' HB3' ' HE2' ' A' 1314 ' ' LYS . 44.1 mtt -60.46 -45.47 93.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.8 m -60.49 -37.15 80.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 63.9 m -61.99 -45.05 95.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.528 0.68 . . . . 0.0 110.157 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.49 ' O ' ' HG ' ' A' 1317 ' ' LEU . 43.4 t -59.26 -52.74 64.37 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.51 176.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.551 ' HE2' ' HB3' ' A' 1310 ' ' MET . 56.8 mttm -65.55 -30.91 71.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.624 -175.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1315 ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' 1339 ' ' ALA . 27.8 tp -64.84 -47.86 76.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.939 0.4 . . . . 0.0 110.392 174.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.645 ' O ' ' HG3' ' A' 1320 ' ' LYS . 77.5 mt -60.18 -35.32 75.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.636 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' 1313 ' ' SER . 93.3 mt -59.71 -40.5 88.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.729 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -68.77 -36.97 78.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.22 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.07 98.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.616 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1320 ' ' LYS . . . . . 0.778 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 44.6 mtpt -57.41 -50.54 72.67 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.236 0.541 . . . . 0.0 110.338 176.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.98 92.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.916 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.495 HD12 ' HE2' ' A' 1332 ' ' LYS . 26.7 tp -73.44 -32.99 64.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.225 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 43.6 m -71.19 -14.37 62.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.024 0.44 . . . . 0.0 110.659 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 9.5 p -115.83 2.2 13.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 30.4 t70 -155.54 63.91 3.8 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.342 0.591 . . . . 0.0 109.406 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -84.94 -3.85 9.73 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.892 2.395 . . . . 0.0 113.912 -169.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -91.33 3.23 55.4 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.931 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.6 m -98.83 106.35 36.85 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.715 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.37 -30.82 62.98 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.066 2.511 . . . . 0.0 112.375 -176.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -70.73 -27.51 64.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.776 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1331 ' ' LEU . . . . . 0.436 HD21 ' HA ' ' A' 1322 ' ' LEU . 17.1 tp -72.37 -27.77 62.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.126 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.542 ' HG3' ' HB2' ' A' 1260 ' ' SER . 1.1 mptm? -65.35 -44.91 86.2 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 171.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 14.3 m -58.55 -45.49 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.585 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -63.05 -45.36 92.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.031 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.14 -44.18 95.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.17 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.91 86.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.86 74.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.71 -42.61 90.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.261 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1339 ' ' ALA . . . . . 0.497 ' HA ' HD21 ' A' 1315 ' ' LEU . . . -65.05 -34.94 79.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.743 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -60.66 -43.08 98.06 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.793 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.11 -39.66 94.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.933 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.584 ' O ' HG13 ' A' 1346 ' ' ILE . 72.6 t -65.56 -52.74 47.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.559 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1343 ' ' THR . . . . . 0.465 ' HA ' HD12 ' A' 1346 ' ' ILE . 19.7 m -60.75 -40.77 93.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.722 -177.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.62 -40.2 96.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.58 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.2 m -71.65 -31.09 66.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.28 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' 1342 ' ' VAL . 81.8 mt -60.7 -53.43 49.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 121.254 0.55 . . . . 0.0 109.779 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -66.72 -39.43 87.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.635 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -56.83 -43.74 81.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.456 HD21 ' HG ' ' A' 1353 ' ' CYS . 3.3 tm? -58.33 -47.86 82.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.479 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.445 HD11 ' HB3' ' A' 1242 ' ' LEU . 35.3 mm -65.16 -48.55 83.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.003 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 36.1 m -56.28 -37.51 69.93 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.914 0.387 . . . . 0.0 111.252 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.1 tpt -79.94 -48.03 14.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.287 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.492 ' HB3' ' HE2' ' A' 1288 ' ' MET . 73.1 m -73.1 -29.65 63.08 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1354 ' ' THR . . . . . 0.403 HG22 ' NE2' ' A' 1239 ' ' GLN . 25.6 m -72.11 -14.79 61.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.789 0.804 . . . . 0.0 110.095 177.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -104.28 10.09 35.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.855 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -80.8 80.88 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.277 0.56 . . . . 0.0 109.989 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.464 -177.336 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 42.6 mm -76.43 -17.08 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.134 0.492 . . . . 0.0 110.346 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1202 ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' 1203 ' ' PRO . 11.0 m-20 -77.8 111.37 17.36 Favored Pre-proline 0 C--O 1.234 0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.06 175.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1203 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' 1202 ' ' ASP . 11.2 Cg_exo -70.85 145.5 51.02 Favored 'Trans proline' 0 C--O 1.239 0.574 0 C-N-CA 122.861 2.374 . . . . 0.0 112.239 -176.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 2.9 p90 -72.9 69.67 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.951 0.881 . . . . 0.0 110.688 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1205 ' ' THR . . . . . . . . . . . . . 33.7 m -156.56 -47.51 0.07 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.509 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.644 ' O ' HG21 ' A' 1209 ' ' VAL . 78.9 mt-30 -81.46 -28.46 34.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.38 176.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.409 ' HD3' ' HB3' ' A' 1202 ' ' ASP . 22.8 mmm180 -60.83 -26.44 67.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.725 -179.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.23 -33.94 77.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.644 HG21 ' O ' ' A' 1206 ' ' GLN . 18.6 m -75.75 -29.67 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.765 -178.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.37 -40.43 21.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.686 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.05 -37.11 86.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.306 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.19 79.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.486 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1213 ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' 1209 ' ' VAL . 16.0 mt -67.23 -37.7 84.0 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.923 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -62.34 -44.89 95.43 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -58.45 -55.48 34.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.085 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.494 HG11 ' CE2' ' A' 1278 ' ' PHE . 62.0 t -65.7 -47.77 84.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.388 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.58 -48.54 72.0 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.182 -0.533 . . . . 0.0 113.055 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1218 ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' A' 1222 ' ' ARG . 32.6 t70 -69.29 -33.98 74.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.935 0.368 . . . . 0.0 110.516 -177.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -62.84 -44.1 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1220 ' ' SER . . . . . 0.546 ' O ' HD23 ' A' 1224 ' ' LEU . 27.4 m -63.69 -25.6 68.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.995 0.426 . . . . 0.0 110.568 178.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1221 ' ' LYS . . . . . 0.469 ' HD3' ' HA ' ' A' 1218 ' ' ASP . 24.6 mtpp -78.8 -56.3 4.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.029 176.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1222 ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' 1218 ' ' ASP . 24.7 mmt180 -65.38 -48.45 72.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.235 0.54 . . . . 0.0 111.619 -175.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.684 ' HB3' HG21 ' A' 1286 ' ' VAL . 88.4 mt -79.69 4.85 14.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.329 -0.85 . . . . 0.0 113.289 -163.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1224 ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' 1220 ' ' SER . 0.9 OUTLIER -59.22 -38.87 80.99 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 167.124 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 18.7 m 58.82 99.45 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 114.688 -1.142 . . . . 0.0 112.723 171.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.52 -19.29 63.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.685 175.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 63.8 tp -122.08 106.55 11.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.845 176.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.56 142.36 61.84 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.791 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1229 ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.86 109.11 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.717 2.278 . . . . 0.0 110.763 173.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.39 90.08 0.12 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.094 2.529 . . . . 0.0 113.566 -170.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1231 ' ' SER . . . . . 0.634 ' HA ' ' HA ' ' A' 1291 ' ' GLN . 39.5 m 46.04 55.7 6.86 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.908 0.755 . . . . 0.0 111.702 176.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 18.8 m -85.97 88.14 7.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.571 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 104.94 -142.32 15.46 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 19.5 p -142.7 175.33 9.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -70.23 -29.09 65.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -70.56 -39.02 74.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.047 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.72 -47.04 85.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.985 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -70.02 -21.34 63.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.208 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -62.18 -45.31 93.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.719 -0.218 . . . . 0.0 110.813 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 7.2 m -60.92 -31.9 71.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.458 0.646 . . . . 0.0 110.298 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -80.14 -47.97 13.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.068 -175.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.49 ' HB3' HD11 ' A' 1350 ' ' ILE . 3.5 mm? -63.65 -32.77 74.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.185 177.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -57.98 -50.8 72.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.824 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -66.09 -44.18 85.15 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.714 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1245 ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -61.53 -46.18 91.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.855 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1246 ' ' ALA . . . . . 0.565 ' HB3' HD13 ' A' 1350 ' ' ILE . . . -62.96 -52.01 64.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.036 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.53 81.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.195 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.17 -43.25 95.76 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.25 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 28.8 tp -69.66 -31.48 69.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.748 0.309 . . . . 0.0 110.663 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -61.85 -43.3 99.12 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.029 0.443 . . . . 0.0 110.513 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -71.95 -35.08 69.49 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1252 ' ' ALA . . . . . 0.826 ' HB3' ' HA ' ' A' 1274 ' ' PHE . . . -60.6 -41.27 94.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.927 177.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1253 ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' 1257 ' ' VAL . . . -65.81 -38.69 89.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.18 0.514 . . . . 0.0 109.882 174.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.1 m -62.13 -35.12 77.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.746 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' 1252 ' ' ALA . 5.1 mm-40 -54.01 -48.64 70.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.7 175.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1256 ' ' LEU . . . . . 0.81 ' HB3' HD23 ' A' 1335 ' ' LEU . 59.4 mt -64.3 -40.63 96.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.786 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1257 ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' 1253 ' ' ALA . 92.1 t -59.87 -50.79 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 120.768 0.318 . . . . 0.0 111.796 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -68.37 -26.75 65.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.179 0.514 . . . . 0.0 110.685 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -79.62 -24.61 41.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.705 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1260 ' ' SER . . . . . 0.502 ' O ' HD23 ' A' 1322 ' ' LEU . 48.1 m -50.73 -25.24 4.11 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -172.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 70.4 mtt-85 -62.05 -27.88 69.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.89 0.376 . . . . 0.0 110.349 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 120.99 90.18 1.12 Allowed Glycine 0 CA--C 1.499 -0.909 0 CA-C-N 115.817 -0.628 . . . . 0.0 113.435 171.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1263 ' ' THR . . . . . 0.486 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 0.1 OUTLIER -153.77 119.05 2.78 Favored Pre-proline 0 N--CA 1.442 -0.851 0 CA-C-N 114.626 -0.787 . . . . 0.0 109.094 175.837 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1264 ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' 1263 ' ' THR . 31.2 Cg_exo -59.02 -45.04 30.42 Favored 'Trans proline' 0 CA--C 1.522 -0.091 0 C-N-CA 123.207 2.605 . . . . 0.0 112.874 -171.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -68.55 -33.02 73.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.079 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1266 ' ' ASP . . . . . 0.44 ' HB2' HG23 ' A' 1263 ' ' THR . 5.7 m-20 -72.64 -45.96 56.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.976 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 44.9 mt -65.83 -33.08 75.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.06 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.52 80.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.097 0.475 . . . . 0.0 110.713 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 36.8 ttp-105 -65.65 -42.22 91.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.324 0.583 . . . . 0.0 109.788 176.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.11 96.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.787 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 1.5 p -62.87 -40.31 97.11 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.791 0.329 . . . . 0.0 111.176 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -72.1 -34.41 61.56 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.962 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -69.47 -50.85 41.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.118 0.485 . . . . 0.0 110.363 176.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1274 ' ' PHE . . . . . 0.826 ' HA ' ' HB3' ' A' 1252 ' ' ALA . 59.3 t80 -60.21 -48.8 80.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.424 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -65.94 -30.13 76.44 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.765 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -77.37 -38.41 50.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.827 0.346 . . . . 0.0 111.233 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.33 -32.66 43.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.262 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.494 ' CE2' HG11 ' A' 1216 ' ' VAL . 71.8 t80 -58.59 -48.16 81.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.479 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1279 ' ' SER . . . . . 0.517 ' O ' ' HG3' ' A' 1283 ' ' GLU . 39.0 p -57.01 -47.41 80.92 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.51 -176.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 23.3 m -60.32 -40.91 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1281 ' ' PHE . . . . . 0.481 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 89.4 t80 -61.42 -48.02 83.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.601 178.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' 1286 ' ' VAL . 23.0 tp -70.5 -40.34 73.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.096 -176.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1283 ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' 1279 ' ' SER . 58.9 mt-10 -57.25 -47.7 80.73 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.047 0.451 . . . . 0.0 110.407 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -67.96 -32.89 73.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.016 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.03 -35.32 90.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.838 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.684 HG21 ' HB3' ' A' 1223 ' ' LEU . 43.5 t -67.03 -37.64 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 177.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -63.5 -42.8 98.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.702 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 3.6 ppp? -74.18 -26.11 60.09 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.777 178.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -69.77 -28.88 66.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.021 0.438 . . . . 0.0 109.998 174.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -77.0 -16.89 80.38 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.173 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.702 ' HG2' ' HA ' ' A' 1288 ' ' MET . 74.2 mm-40 -63.61 -31.48 72.65 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -76.77 116.74 59.51 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.482 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.7 7.89 4.93 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.821 2.347 . . . . 0.0 112.116 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 2.3 p -130.13 146.09 51.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.344 -177.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1295 ' ' GLN . . . . . 0.41 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 43.2 mt-30 -89.42 -15.36 33.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -168.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.88 -35.56 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 173.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.8 -43.46 83.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.477 170.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.546 ' O ' HG21 ' A' 1302 ' ' VAL . 69.3 ttt180 -53.42 -56.39 17.24 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.875 177.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.62 72.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.543 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -70.09 -35.46 74.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -176.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.458 HG22 ' SD ' ' A' 1288 ' ' MET . 14.3 p -80.89 -31.3 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.369 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' 1298 ' ' ARG . 73.9 t -63.59 -29.83 48.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.833 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 17.2 m -52.75 -47.55 67.36 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.746 174.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1304 ' ' ASN . . . . . 0.572 ' HB2' HD22 ' A' 1349 ' ' LEU . 17.1 m-80 -67.58 -40.17 84.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.922 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' 1302 ' ' VAL . 96.2 mt -60.26 -48.77 80.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -59.76 -48.19 82.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.564 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.25 -53.3 35.3 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.519 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1308 ' ' ILE . . . . . 0.439 ' HB ' ' HB2' ' A' 1345 ' ' SER . 0.0 OUTLIER -68.9 -39.79 80.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.763 -177.469 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1309 ' ' SER . . . . . 0.401 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 47.2 m -64.15 -46.56 83.56 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.732 0.301 . . . . 0.0 111.194 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.507 ' O ' ' HG3' ' A' 1314 ' ' LYS . 45.8 mtt -66.94 -46.33 75.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 69.5 m -61.12 -36.2 79.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.517 0.199 . . . . 0.0 110.995 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1312 ' ' SER . . . . . 0.4 ' HB3' ' CE2' ' A' 1274 ' ' PHE . 66.0 m -66.18 -40.55 90.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.333 0.587 . . . . 0.0 110.103 178.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.53 ' O ' ' HG ' ' A' 1317 ' ' LEU . 65.9 m -61.11 -48.42 81.73 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.363 175.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' 1310 ' ' MET . 61.2 mttm -61.86 -34.59 76.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.739 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1315 ' ' LEU . . . . . 0.409 ' HG ' HD12 ' A' 1256 ' ' LEU . 49.0 tp -64.23 -45.8 86.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.853 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.422 ' O ' ' HG3' ' A' 1320 ' ' LYS . 83.5 mt -69.4 -33.89 73.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.238 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' 1313 ' ' SER . 97.7 mt -60.71 -41.7 95.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 110.173 176.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.72 82.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.53 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.6 98.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.471 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1320 ' ' LYS . . . . . 0.522 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 8.0 mtmp? -61.9 -47.8 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.24 0.543 . . . . 0.0 110.425 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1321 ' ' ALA . . . . . 0.43 ' C ' HD21 ' A' 1331 ' ' LEU . . . -60.68 -31.37 70.62 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.693 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' 1260 ' ' SER . 34.8 tp -82.26 -32.58 29.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.994 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 23.5 t -67.62 -29.05 68.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.159 0.504 . . . . 0.0 109.793 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 6.3 p -90.01 -40.94 12.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.987 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -122.59 83.07 47.89 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.765 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1326 ' ' PRO . . . . . 0.416 ' HA ' HD12 ' A' 1322 ' ' LEU . 76.1 Cg_endo -88.69 14.27 2.32 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 122.528 2.152 . . . . 0.0 112.635 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -104.61 -11.56 16.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 2.8 p -84.51 118.74 71.81 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 121.123 0.487 . . . . 0.0 111.197 -177.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.63 -41.53 46.69 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.111 2.541 . . . . 0.0 112.673 -175.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -69.5 -24.62 63.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.015 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1331 ' ' LEU . . . . . 0.43 HD21 ' C ' ' A' 1321 ' ' ALA . 12.0 tp -71.27 -35.53 71.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.18 -178.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.7 mptm? -55.34 -57.1 13.23 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.545 0.688 . . . . 0.0 110.198 173.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 26.2 m -71.18 -26.96 63.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.744 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -64.44 -43.15 95.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.183 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1335 ' ' LEU . . . . . 0.81 HD23 ' HB3' ' A' 1256 ' ' LEU . 7.0 tt -67.15 -46.38 74.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.766 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.17 76.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.368 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -71.46 -36.85 71.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.42 ' O ' HG22 ' A' 1342 ' ' VAL . . . -66.13 -40.81 90.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.674 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1339 ' ' ALA . . . . . 0.4 ' HA ' HD21 ' A' 1315 ' ' LEU . . . -64.79 -40.0 94.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.509 177.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -58.8 -39.05 79.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.136 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.29 85.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.624 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' 1346 ' ' ILE . 90.7 t -59.03 -52.36 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.78 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 83.3 m -56.28 -41.01 75.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 110.638 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.12 -44.76 95.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.106 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1345 ' ' SER . . . . . 0.439 ' HB2' ' HB ' ' A' 1308 ' ' ILE . 3.9 p -70.62 -31.75 68.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.395 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' 1342 ' ' VAL . 80.2 mt -59.44 -48.63 86.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.081 0.467 . . . . 0.0 109.751 174.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -58.26 -41.52 84.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.967 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -64.99 -37.58 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.496 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -67.39 -45.46 76.17 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.647 HG22 ' HB2' ' A' 1355 ' ' GLN . 42.8 mm -63.88 -41.89 94.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.397 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1351 ' ' THR . . . . . 0.711 ' HA ' ' HB3' ' A' 1355 ' ' GLN . 41.3 m -62.73 -39.1 93.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.522 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.0 tpt -63.12 -37.3 86.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.963 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 23.8 t -60.57 -70.01 0.2 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.187 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 9.1 t -177.09 32.51 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.356 0.598 . . . . 0.0 110.956 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1355 ' ' GLN . . . . . 0.711 ' HB3' ' HA ' ' A' 1351 ' ' THR . 7.3 tp60 -84.43 106.76 16.26 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 177.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -123.74 144.06 49.9 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.711 -175.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.733 178.721 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 41.6 mm -77.91 74.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1202 ' ' ASP . . . . . 0.492 ' OD2' ' HB2' ' A' 1204 ' ' PHE . 4.7 p-10 -152.07 157.89 33.96 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.652 -177.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1203 ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' 1202 ' ' ASP . 11.5 Cg_endo -55.4 -20.51 26.2 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.407 2.738 . . . . 0.0 114.048 -177.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1204 ' ' PHE . . . . . 0.547 ' O ' ' HB3' ' A' 1207 ' ' ARG . 95.4 m-85 -84.07 46.9 1.24 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.023 0.44 . . . . 0.0 110.53 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1205 ' ' THR . . . . . 0.44 ' HA ' ' OD1' ' A' 1208 ' ' ASP . 6.2 m -69.31 159.03 33.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.712 177.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1206 ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' 1205 ' ' THR . 93.3 mt-30 76.91 -38.46 0.31 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.559 0.744 . . . . 0.0 109.99 -177.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.547 ' HB3' ' O ' ' A' 1204 ' ' PHE . 0.8 OUTLIER -59.17 -26.2 64.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.429 172.157 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1208 ' ' ASP . . . . . 0.44 ' OD1' ' HA ' ' A' 1205 ' ' THR . 5.0 m-20 -51.31 -43.65 61.73 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.191 177.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.733 ' O ' ' HG ' ' A' 1213 ' ' LEU . 41.2 t -62.71 -54.55 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.618 -177.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.78 -36.7 83.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.084 0.468 . . . . 0.0 110.846 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 38.4 t30 -64.74 -49.68 69.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.411 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.07 97.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.597 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1213 ' ' LEU . . . . . 0.733 ' HG ' ' O ' ' A' 1209 ' ' VAL . 11.6 mt -60.77 -43.34 98.16 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.065 0.459 . . . . 0.0 110.153 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -68.27 -45.87 71.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.419 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -53.24 -48.77 67.94 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.013 -175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.502 HG12 ' CE2' ' A' 1278 ' ' PHE . 70.7 t -58.41 -46.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.654 0.264 . . . . 0.0 111.542 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -74.03 -47.4 18.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.335 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.15 -46.61 86.39 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.228 0.211 . . . . 0.0 111.473 -176.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.84 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.546 0.212 . . . . 0.0 111.088 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 49.0 m -62.56 -43.75 98.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.953 0.406 . . . . 0.0 110.509 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1221 ' ' LYS . . . . . 0.493 ' HA ' ' HB2' ' A' 1225 ' ' SER . 58.6 mtpt -74.49 -35.54 63.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.316 -178.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -77.5 -36.66 52.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.372 -0.376 . . . . 0.0 112.013 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.424 HD22 ' HG2' ' A' 1229 ' ' PRO . 86.9 mt -92.67 -59.35 2.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -173.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 3.7 pp -109.85 15.18 22.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -167.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1225 ' ' SER . . . . . 0.493 ' HB2' ' HA ' ' A' 1221 ' ' LYS . 38.7 t -84.43 -60.3 2.12 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.003 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -131.2 -62.54 0.88 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.161 0.505 . . . . 0.0 111.13 -172.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 64.6 tp -92.49 114.07 26.52 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.121 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 90.7 mt -89.11 120.2 69.85 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.222 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1229 ' ' PRO . . . . . 0.621 ' HD2' HG12 ' A' 1286 ' ' VAL . 53.9 Cg_exo -53.36 146.96 38.67 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.81 2.34 . . . . 0.0 111.775 176.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -48.43 103.99 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.696 2.931 . . . . 0.0 113.225 -175.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1231 ' ' SER . . . . . 0.733 ' HB3' ' HA ' ' A' 1287 ' ' GLU . 19.4 m -131.35 114.85 15.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.61 178.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 5.3 m -149.03 28.25 0.84 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.456 0.646 . . . . 0.0 110.561 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1233 ' ' GLY . . . . . 0.571 ' HA3' ' HG2' ' A' 1237 ' ' GLU . . . -78.58 -42.59 13.6 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 174.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 82.4 p 62.32 151.25 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.772 1.229 . . . . 0.0 114.285 171.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 54.1 t80 40.22 -91.38 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.334 1.454 . . . . 0.0 113.856 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.34 -38.56 84.18 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.999 -174.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1237 ' ' GLU . . . . . 0.571 ' HG2' ' HA3' ' A' 1233 ' ' GLY . 15.7 tp10 -67.7 -49.74 61.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.364 178.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.11 93.26 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.302 -175.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1239 ' ' GLN . . . . . 0.412 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 63.9 tt0 -59.26 -56.92 15.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.803 -176.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.9 p -67.18 -35.06 78.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.006 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -68.03 -45.09 74.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.858 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.507 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 61.6 tp -63.26 -44.43 95.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.841 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -63.18 -35.25 79.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.697 0.284 . . . . 0.0 111.617 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.68 -47.97 42.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.844 0.354 . . . . 0.0 110.31 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.49 98.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.196 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1246 ' ' ALA . . . . . 0.461 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -61.73 -46.05 91.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.337 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.14 -31.63 71.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.863 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.31 -42.82 56.38 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.546 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 37.9 tp -69.02 -34.62 75.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.483 0.182 . . . . 0.0 110.978 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -54.9 -46.75 74.87 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.961 0.41 . . . . 0.0 110.159 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1251 ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' 1254 ' ' THR . 24.1 tt0 -72.56 -32.29 65.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.335 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1252 ' ' ALA . . . . . 0.889 ' HB2' ' HA ' ' A' 1274 ' ' PHE . . . -61.3 -44.36 97.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.683 177.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -64.01 -39.09 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.97 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1254 ' ' THR . . . . . 0.5 ' O ' ' HG2' ' A' 1258 ' ' GLN . 92.9 m -57.94 -40.99 81.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.782 175.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.661 ' HG3' ' HG2' ' A' 1273 ' ' ARG . 5.5 mm-40 -56.91 -42.71 80.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.296 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1256 ' ' LEU . . . . . 0.432 ' HB3' HD23 ' A' 1335 ' ' LEU . 18.5 mt -65.47 -35.42 80.86 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.867 177.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 59.2 t -64.65 -47.05 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.086 0.469 . . . . 0.0 110.239 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1258 ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' 1254 ' ' THR . 14.9 mm100 -61.12 -41.36 96.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.176 178.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1259 ' ' ALA . . . . . 0.455 ' HA ' ' OD2' ' A' 1266 ' ' ASP . . . -74.77 -27.25 60.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.715 -177.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1260 ' ' SER . . . . . 0.488 ' HA ' HD23 ' A' 1322 ' ' LEU . 33.7 t -57.23 -34.9 69.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.399 0.618 . . . . 0.0 110.249 177.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -96.13 18.15 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.398 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -122.43 -122.61 2.82 Favored Glycine 0 N--CA 1.436 -1.363 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1263 ' ' THR . . . . . 0.438 ' HB ' ' HD2' ' A' 1264 ' ' PRO . 68.3 p -140.83 167.55 17.21 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.929 0.364 . . . . 0.0 111.295 -175.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1264 ' ' PRO . . . . . 0.468 ' HA ' ' HB2' ' A' 1267 ' ' LEU . 84.6 Cg_exo -51.83 -28.49 31.03 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.865 2.377 . . . . 0.0 112.972 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.34 -50.45 67.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.762 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1266 ' ' ASP . . . . . 0.455 ' OD2' ' HA ' ' A' 1259 ' ' ALA . 3.3 p-10 -79.54 -25.62 41.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.468 ' HB2' ' HA ' ' A' 1264 ' ' PRO . 21.2 mt -59.53 -37.31 78.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.494 170.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.48 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -51.41 -47.66 62.9 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.38 0.609 . . . . 0.0 110.361 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.1 90.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.247 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 15.5 m -65.22 -44.57 87.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.728 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -62.48 -40.79 99.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.714 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1273 ' ' ARG . . . . . 0.661 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 16.5 tpp180 -65.24 -48.02 74.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 110.469 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1274 ' ' PHE . . . . . 0.889 ' HA ' ' HB2' ' A' 1252 ' ' ALA . 51.2 t80 -63.05 -52.34 63.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.346 -176.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.29 -37.98 95.48 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.107 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.3 -52.73 17.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.689 0.28 . . . . 0.0 111.185 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.12 -29.8 69.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.527 ' CE2' HD13 ' A' 1282 ' ' LEU . 89.8 t80 -63.09 -43.46 98.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.541 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 22.7 m -62.2 -39.77 93.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.465 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 15.0 m -63.44 -39.46 94.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.317 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 83.5 t80 -63.41 -42.4 98.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.343 176.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.527 HD13 ' CE2' ' A' 1278 ' ' PHE . 24.1 mt -61.24 -45.01 96.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.01 -38.67 89.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.866 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -65.52 -36.38 83.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.33 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -63.52 -41.93 99.07 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.83 176.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.621 HG12 ' HD2' ' A' 1229 ' ' PRO . 98.5 t -62.65 -41.36 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.391 177.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1287 ' ' GLU . . . . . 0.733 ' HA ' ' HB3' ' A' 1231 ' ' SER . 17.2 tp10 -55.75 -46.39 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.626 177.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.612 ' O ' ' HG2' ' A' 1291 ' ' GLN . 7.9 ptm -78.86 -24.78 44.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.963 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -68.31 -26.69 65.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.93 0.395 . . . . 0.0 110.103 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -69.68 -34.27 72.46 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.763 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1291 ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' 1288 ' ' MET . 25.5 pt20 -77.96 -8.12 57.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.604 0.24 . . . . 0.0 110.854 -177.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1292 ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -62.89 117.37 31.74 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.744 -179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1293 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 15.4 Cg_exo -68.82 -56.77 0.15 Allowed 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 123.062 2.508 . . . . 0.0 111.971 -177.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 5.8 m -85.73 149.79 25.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.021 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -65.46 -34.18 77.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.66 -33.8 75.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.465 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.41 -43.65 73.0 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.444 ' O ' HG23 ' A' 1302 ' ' VAL . 38.7 ttp-105 -65.25 -33.59 76.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.185 177.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.63 79.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 176.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.42 -47.37 86.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.268 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.655 ' O ' ' HG ' ' A' 1305 ' ' LEU . 10.6 p -61.21 -40.36 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.564 -178.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.45 ' HA ' HD11 ' A' 1305 ' ' LEU . 71.8 t -64.07 -33.16 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-O 120.651 0.263 . . . . 0.0 110.87 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 54.8 m -58.91 -48.13 82.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.84 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1304 ' ' ASN . . . . . 0.636 ' HB2' HD22 ' A' 1349 ' ' LEU . 39.2 m-80 -64.75 -38.83 92.33 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.146 0.498 . . . . 0.0 109.955 177.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' 1301 ' ' VAL . 93.5 mt -62.4 -39.11 92.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.741 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -70.57 -36.55 73.67 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 120.646 -0.422 . . . . 0.0 109.917 174.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.85 77.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.001 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -37.85 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 122.807 -0.231 . . . . 0.0 110.389 178.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 40.0 t -61.19 -49.39 77.37 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 110.596 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1310 ' ' MET . . . . . 0.713 ' O ' ' HG2' ' A' 1314 ' ' LYS . 62.9 mtp -57.33 -51.19 70.39 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.54 178.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 23.3 m -55.79 -39.89 71.91 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.388 0.43 . . . . 0.0 110.66 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1312 ' ' SER . . . . . 0.423 ' HB3' ' CE2' ' A' 1274 ' ' PHE . 49.5 m -66.52 -40.68 89.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.476 0.655 . . . . 0.0 109.932 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.505 ' O ' ' HG ' ' A' 1317 ' ' LEU . 50.7 m -61.62 -48.05 82.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.537 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.713 ' HG2' ' O ' ' A' 1310 ' ' MET . 65.0 mmtt -63.18 -38.49 91.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.175 0.512 . . . . 0.0 110.018 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1315 ' ' LEU . . . . . 0.607 HD22 ' HA ' ' A' 1339 ' ' ALA . 40.7 tp -60.16 -44.29 95.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.945 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1316 ' ' LEU . . . . . 0.683 ' HB3' HD22 ' A' 1213 ' ' LEU . 49.9 mt -73.0 -26.75 61.44 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -178.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' 1313 ' ' SER . 90.6 mt -64.49 -34.78 79.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.081 0.467 . . . . 0.0 109.896 174.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.25 -41.58 76.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.849 174.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.92 82.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.965 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -56.93 -48.97 77.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.129 0.49 . . . . 0.0 110.237 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.93 68.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.871 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.499 HD11 ' HE2' ' A' 1332 ' ' LYS . 29.2 tp -75.64 -32.17 60.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.511 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 12.6 p -78.79 -12.97 60.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 1.3 p -100.26 -34.02 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.695 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -131.45 82.71 61.1 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.271 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -81.41 -1.05 10.85 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.469 2.112 . . . . 0.0 112.583 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -96.52 -0.28 49.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.392 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1328 ' ' SER . . . . . 0.486 ' CB ' HD12 ' A' 1331 ' ' LEU . 55.6 m -93.72 109.14 39.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.57 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1329 ' ' PRO . . . . . 0.548 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 33.8 Cg_endo -64.85 -29.2 58.68 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.845 2.363 . . . . 0.0 112.51 -176.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -62.67 -32.78 73.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.707 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1331 ' ' LEU . . . . . 0.486 HD12 ' CB ' ' A' 1328 ' ' SER . 10.7 mp -70.39 -26.96 63.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.19 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.548 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 0.8 OUTLIER -64.8 -43.1 94.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.003 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 16.1 m -70.52 -41.02 73.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.312 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1334 ' ' GLN . . . . . 0.407 ' HB3' ' HA ' ' A' 1331 ' ' LEU . 7.9 tt0 -53.58 -48.08 69.54 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.727 177.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1335 ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' 1260 ' ' SER . 9.8 tt -68.81 -47.48 65.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.495 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1336 ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -55.98 -40.61 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.705 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.35 91.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.899 0.38 . . . . 0.0 110.969 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' 1342 ' ' VAL . . . -72.06 -36.31 69.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.711 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1339 ' ' ALA . . . . . 0.607 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.45 -39.8 92.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1340 ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' 1336 ' ' ALA . 30.2 mmt180 -71.59 -32.17 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.201 178.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.7 87.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.407 176.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' 1346 ' ' ILE . 98.0 t -58.52 -52.3 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.122 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1343 ' ' THR . . . . . 0.594 ' HA ' HD11 ' A' 1346 ' ' ILE . 17.4 m -60.29 -36.29 77.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.76 -177.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.88 -46.35 88.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.135 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.8 m -69.04 -27.13 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.494 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' 1342 ' ' VAL . 85.8 mt -62.88 -54.99 26.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.58 0.229 . . . . 0.0 110.679 178.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 13.1 p30 -68.48 -28.44 67.03 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.494 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -59.7 -38.05 80.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.404 176.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.636 HD22 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -75.73 -37.53 59.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.507 ' CD1' ' HG ' ' A' 1242 ' ' LEU . 49.3 mm -60.21 -38.13 76.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.601 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 85.5 m -59.75 -31.45 69.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.891 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 25.0 mmt -76.4 -28.2 56.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 45.7 t -74.19 -39.61 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.208 0.528 . . . . 0.0 110.019 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 27.6 p -87.83 174.43 8.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.494 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 52.12 84.12 0.05 Allowed 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.665 0.603 . . . . 0.0 112.048 175.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.8 84.84 0.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 176.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.024 -177.525 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.68 -0.568 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.25 125.82 74.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.368 0.604 . . . . 0.0 110.319 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 25.3 t0 -160.07 110.96 1.41 Allowed Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.108 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1203 ' ' PRO . . . . . 0.455 ' HD2' ' NH2' ' A' 1207 ' ' ARG . 51.7 Cg_exo -55.13 107.56 0.24 Allowed 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.404 2.736 . . . . 0.0 114.209 -174.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -112.0 179.81 3.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.463 172.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1205 ' ' THR . . . . . . . . . . . . . 7.0 m 70.13 20.17 6.46 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.77 0.795 . . . . 0.0 109.761 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -162.56 -45.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.835 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1207 ' ' ARG . . . . . 0.455 ' NH2' ' HD2' ' A' 1203 ' ' PRO . 31.3 ttm180 -72.08 -51.01 23.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.882 0.372 . . . . 0.0 110.086 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1208 ' ' ASP . . . . . 0.595 ' OD2' ' HA ' ' A' 1268 ' ' ALA . 0.8 OUTLIER -50.6 -41.88 55.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.185 178.794 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1209 ' ' VAL . . . . . 0.472 HG13 ' OD2' ' A' 1208 ' ' ASP . 36.0 m -78.41 -29.91 15.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.202 -174.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.61 -38.98 20.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 111.017 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 52.3 t30 -64.9 -32.93 74.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.186 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.71 86.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.103 173.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.91 -39.92 96.0 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.363 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -63.07 -44.65 95.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.47 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -61.27 -48.91 79.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.78 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1216 ' ' VAL . . . . . 0.585 HG13 ' CE2' ' A' 1278 ' ' PHE . 94.5 t -62.36 -44.64 99.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.846 178.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1217 ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -64.09 -46.4 91.28 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.367 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.53 -31.05 71.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.743 0.306 . . . . 0.0 111.168 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1219 ' ' ALA . . . . . 0.422 ' HB2' HD22 ' A' 1282 ' ' LEU . . . -66.79 -40.35 88.09 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1220 ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' 1224 ' ' LEU . 27.6 m -66.05 -30.87 71.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.347 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1221 ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' 1217 ' ' GLY . 63.6 mttp -68.44 -54.35 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.992 0.425 . . . . 0.0 110.75 177.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -68.92 -39.96 79.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.813 -175.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1223 ' ' LEU . . . . . 0.75 ' HB3' HG13 ' A' 1286 ' ' VAL . 29.9 mt -101.66 -46.65 4.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -166.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1224 ' ' LEU . . . . . 0.556 ' HB2' ' O ' ' A' 1220 ' ' SER . 3.4 mm? -70.05 91.54 0.69 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.154 0.502 . . . . 0.0 111.843 -172.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 31.3 p -165.22 -173.94 3.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.289 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -92.35 6.58 46.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.813 0.34 . . . . 0.0 110.745 178.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 82.4 mt -77.35 111.68 13.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.986 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1228 ' ' LEU . . . . . 0.465 ' HA ' ' HD3' ' A' 1229 ' ' PRO . 3.3 pp -92.27 130.1 38.92 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.349 -177.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1229 ' ' PRO . . . . . 0.784 ' HG2' ' HA ' ' A' 1287 ' ' GLU . 5.1 Cg_exo -75.45 142.29 26.38 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.912 2.408 . . . . 0.0 111.751 176.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1230 ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 22.9 Cg_exo -64.55 154.11 73.71 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.684 2.256 . . . . 0.0 111.089 176.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 44.0 m -80.0 99.67 7.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.783 0.325 . . . . 0.0 111.16 -176.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 18.2 m -77.27 -44.79 28.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.935 0.398 . . . . 0.0 110.213 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -111.68 -120.44 3.93 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 11.0 p -129.41 173.18 10.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.995 0.426 . . . . 0.0 110.606 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 49.4 t80 -68.31 -39.87 81.86 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -64.48 -38.3 90.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.957 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.04 -44.28 97.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.374 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.98 95.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.673 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -63.22 -42.62 99.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.695 177.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 43.2 t -59.5 -42.97 93.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.094 0.473 . . . . 0.0 110.285 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.23 -40.92 98.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.908 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1242 ' ' LEU . . . . . 0.504 ' HB3' HD12 ' A' 1350 ' ' ILE . 9.1 mt -62.83 -43.01 99.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.909 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -57.58 -34.42 69.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.185 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -77.47 -51.67 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.64 93.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.901 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1246 ' ' ALA . . . . . 0.597 ' HB1' HD11 ' A' 1350 ' ' ILE . . . -59.76 -49.84 76.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.993 -178.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.28 79.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.248 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.79 -45.17 59.41 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.341 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 37.5 tp -66.64 -33.67 76.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.589 0.233 . . . . 0.0 110.807 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -57.05 -43.96 82.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.301 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1251 ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' A' 1255 ' ' GLU . 48.5 tt0 -72.76 -32.15 65.43 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.422 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.86 77.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.953 0.406 . . . . 0.0 110.418 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -67.87 -39.12 83.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.096 0.474 . . . . 0.0 110.162 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 29.1 m -62.56 -34.85 77.77 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.693 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1255 ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' 1251 ' ' GLN . 33.7 mm-40 -57.2 -47.63 80.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.291 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1256 ' ' LEU . . . . . 0.651 ' HB3' HD23 ' A' 1335 ' ' LEU . 36.1 mt -60.93 -40.51 93.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.742 177.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 58.3 t -58.26 -51.39 71.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.691 177.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.04 -49.9 75.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.702 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.46 80.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.461 -175.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1260 ' ' SER . . . . . 0.449 ' HB3' HD13 ' A' 1335 ' ' LEU . 96.9 p -60.65 -31.98 71.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.003 0.43 . . . . 0.0 111.378 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -101.66 9.28 41.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.633 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -116.0 -71.49 0.48 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.212 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 1.9 t -159.45 138.49 8.07 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.954 0.407 . . . . 0.0 111.177 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1264 ' ' PRO . . . . . 0.694 ' HA ' HD13 ' A' 1267 ' ' LEU . 52.8 Cg_exo -55.9 -26.0 55.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.459 2.773 . . . . 0.0 112.454 175.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -70.77 -28.68 64.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.526 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -80.73 -34.15 34.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1267 ' ' LEU . . . . . 0.694 HD13 ' HA ' ' A' 1264 ' ' PRO . 49.3 mt -56.64 -34.73 67.58 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.783 174.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1268 ' ' ALA . . . . . 0.595 ' HA ' ' OD2' ' A' 1208 ' ' ASP . . . -56.35 -45.94 80.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.261 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -70.71 -41.54 71.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.922 0.391 . . . . 0.0 110.218 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.44 92.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.88 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 51.4 m -60.66 -49.5 77.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.24 176.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.76 -34.94 91.29 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.078 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -71.18 -55.91 7.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1274 ' ' PHE . . . . . 0.469 ' HZ ' HG13 ' A' 1342 ' ' VAL . 76.1 t80 -54.76 -48.59 72.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.633 -174.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -61.77 -44.37 97.97 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.919 -177.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -77.1 -39.97 47.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.794 0.33 . . . . 0.0 110.891 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 4.8 t70 -63.08 -38.82 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.23 0.538 . . . . 0.0 109.725 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1278 ' ' PHE . . . . . 0.585 ' CE2' HG13 ' A' 1216 ' ' VAL . 57.5 t80 -57.09 -43.21 82.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.937 176.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 49.9 m -59.85 -41.13 90.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.065 0.459 . . . . 0.0 110.239 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 2.2 m -68.29 -31.87 71.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.864 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 49.5 t80 -73.81 -47.0 41.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.534 177.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1282 ' ' LEU . . . . . 0.438 HD22 HD13 ' A' 1223 ' ' LEU . 29.2 tp -61.56 -40.86 96.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.179 -175.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1283 ' ' GLU . . . . . 0.473 ' HG2' HD12 ' A' 1223 ' ' LEU . 41.6 mt-10 -63.24 -27.96 69.71 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.698 0.285 . . . . 0.0 111.57 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -74.38 -42.67 58.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.882 0.372 . . . . 0.0 110.131 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -66.02 -45.25 88.79 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.568 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1286 ' ' VAL . . . . . 0.75 HG13 ' HB3' ' A' 1223 ' ' LEU . 18.3 m -67.8 -26.71 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 122.644 -0.327 . . . . 0.0 111.126 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1287 ' ' GLU . . . . . 0.784 ' HA ' ' HG2' ' A' 1229 ' ' PRO . 36.1 tt0 -65.31 -52.97 50.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.12 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1288 ' ' MET . . . . . 0.418 ' HE2' ' HB3' ' A' 1353 ' ' CYS . 22.1 ptm -70.93 -24.97 62.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 178.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1289 ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' 1298 ' ' ARG . . . -59.34 -35.63 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.162 0.506 . . . . 0.0 109.93 171.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1290 ' ' GLY . . . . . 0.716 ' HA3' ' HD2' ' A' 1229 ' ' PRO . . . -76.38 -31.73 53.73 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.692 174.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1291 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -83.97 15.87 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.374 0.27 . . . . 0.0 110.823 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1292 ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -59.1 144.6 82.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.778 -176.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1293 ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 24.1 Cg_exo -64.48 -33.33 57.54 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.844 2.363 . . . . 0.0 112.424 177.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 53.2 p -146.69 165.79 28.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 111.301 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -66.4 -40.29 89.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.28 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.48 -34.12 77.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.394 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.98 -43.69 82.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.954 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1298 ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' 1289 ' ' ALA . 49.0 ttp180 -59.33 -48.82 80.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.548 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.82 76.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.85 -51.85 36.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1301 ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' 1305 ' ' LEU . 12.4 p -62.7 -36.64 76.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.185 -177.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1302 ' ' VAL . . . . . 0.513 ' HA ' HD13 ' A' 1305 ' ' LEU . 77.0 t -63.97 -38.69 83.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.497 176.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 40.1 m -63.71 -38.68 92.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.608 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1304 ' ' ASN . . . . . 0.55 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 47.5 m-20 -61.43 -43.06 99.53 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1305 ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' 1301 ' ' VAL . 92.7 mt -60.45 -39.88 89.15 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.896 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -64.71 -42.79 95.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.785 0.326 . . . . 0.0 110.212 175.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.82 -42.49 91.9 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.466 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -37.61 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 122.736 -0.273 . . . . 0.0 111.037 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 34.1 p -66.11 -48.21 71.61 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.794 0.33 . . . . 0.0 111.164 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1310 ' ' MET . . . . . . . . . . . . . 93.3 mmm -63.89 -39.49 94.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.765 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 69.6 m -63.51 -39.3 94.07 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.729 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 49.6 m -63.16 -40.57 97.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.504 0.668 . . . . 0.0 109.6 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1313 ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' 1317 ' ' LEU . 60.1 m -60.68 -50.5 73.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.683 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1314 ' ' LYS . . . . . 0.41 ' HA ' HD12 ' A' 1317 ' ' LEU . 57.8 mttm -63.54 -34.58 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.139 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1315 ' ' LEU . . . . . 0.584 HD22 ' HA ' ' A' 1339 ' ' ALA . 38.0 tp -63.57 -49.32 73.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1316 ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.97 -26.92 67.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.24 -178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1317 ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' 1313 ' ' SER . 90.4 mt -64.67 -34.86 79.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 0.0 110.263 175.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.57 -37.75 73.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.954 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.48 87.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.976 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1320 ' ' LYS . . . . . 0.438 ' HA ' HG21 ' A' 1209 ' ' VAL . 39.6 ttmt -63.28 -50.65 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.166 0.507 . . . . 0.0 110.584 177.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.41 83.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.872 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1322 ' ' LEU . . . . . 0.401 ' CD2' ' HB2' ' A' 1260 ' ' SER . 35.1 tp -77.93 -19.37 54.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.719 -177.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 8.6 p -85.12 -27.88 25.94 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.754 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 8.6 t -89.64 -30.75 17.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.811 0.338 . . . . 0.0 110.316 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -124.59 77.23 63.59 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.871 0.367 . . . . 0.0 110.245 173.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -79.38 -2.76 12.54 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.433 2.088 . . . . 0.0 113.054 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -93.16 -6.29 48.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.389 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 35.7 t -83.93 111.23 31.22 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1329 ' ' PRO . . . . . 0.548 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 37.4 Cg_endo -66.45 -28.2 46.28 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.927 2.418 . . . . 0.0 112.418 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 17.6 m120 -62.94 -35.88 81.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.255 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.09 -26.67 63.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.707 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1332 ' ' LYS . . . . . 0.548 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 0.6 OUTLIER -64.97 -48.09 75.27 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 4.3 m -64.24 -43.34 95.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.3 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.11 -50.16 74.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.018 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1335 ' ' LEU . . . . . 0.651 HD23 ' HB3' ' A' 1256 ' ' LEU . 8.6 tt -63.72 -48.87 75.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.455 -178.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -60.48 -34.55 74.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.441 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -71.53 -47.95 51.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.756 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1338 ' ' ALA . . . . . 0.44 ' O ' HG21 ' A' 1342 ' ' VAL . . . -62.11 -38.55 89.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1339 ' ' ALA . . . . . 0.584 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -60.17 -43.02 96.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.005 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1340 ' ' ARG . . . . . 0.479 ' HD3' ' HA ' ' A' 1340 ' ' ARG . 25.1 mmt180 -71.45 -27.96 63.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.15 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.97 -42.45 85.14 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 173.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1342 ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' 1346 ' ' ILE . 97.1 t -60.76 -48.68 87.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.885 174.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 33.5 m -52.75 -49.3 65.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.5 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1344 ' ' ASP . . . . . 0.563 ' O ' ' HG2' ' A' 1348 ' ' GLN . 26.5 t70 -63.14 -45.0 94.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.791 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 19.4 m -58.61 -38.27 77.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1346 ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' 1342 ' ' VAL . 88.5 mt -60.73 -49.27 85.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.085 175.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -61.67 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1348 ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' 1344 ' ' ASP . 79.8 mm-40 -60.75 -35.72 77.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.743 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.525 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.2 tm? -63.43 -51.28 66.41 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1350 ' ' ILE . . . . . 0.597 HD11 ' HB1' ' A' 1246 ' ' ALA . 34.8 mm -61.39 -32.63 53.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.747 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 55.3 m -57.92 -54.96 41.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -28.85 69.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.3 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1353 ' ' CYS . . . . . 0.418 ' HB3' ' HE2' ' A' 1288 ' ' MET . 61.3 m -67.28 -20.85 65.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.546 -178.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 9.0 t -126.19 12.77 7.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.946 0.403 . . . . 0.0 110.86 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -81.18 105.91 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.53 -174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 16.0 mm100 63.44 -92.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.209 176.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.661 -0.685 . . . . 0.0 110.507 -176.527 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.754 0.312 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.11 -33.57 74.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.388 -175.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1209 ' ' VAL . . . . . 1.025 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 21.1 m -77.48 -28.68 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.118 -175.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -82.81 -40.33 20.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.451 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.83 -32.67 72.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -64.22 -46.15 85.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.468 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 42.1 mt -64.63 -35.15 80.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.46 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -57.48 -52.37 65.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.982 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.78 -55.57 12.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.559 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.448 HG13 ' CE2' ' A' 1278 ' ' PHE . 88.6 t -59.5 -47.36 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 111.06 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -61.0 -49.98 72.62 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.477 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -61.63 -45.45 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.735 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.35 86.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.887 0.375 . . . . 0.0 110.274 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1220 ' ' SER . . . . . 0.416 ' HA ' HD21 ' A' 1282 ' ' LEU . 19.6 t -63.28 -38.71 92.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 14.1 mptt -77.98 -43.65 29.0 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -78.53 -24.38 45.73 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -174.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.739 ' HB3' HG21 ' A' 1286 ' ' VAL . 97.1 mt -97.79 -38.02 9.63 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.875 -176.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1224 ' ' LEU . . . . . 0.431 HD22 HG13 ' A' 1302 ' ' VAL . 82.8 mt . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.149 0.5 . . . . 0.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 12.9 mm100 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.66 0.267 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -67.41 -51.3 53.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.061 0.458 . . . . 0.0 109.907 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.34 80.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.178 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -57.16 -52.54 64.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.323 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1240 ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' 1244 ' ' GLU . 42.0 m -65.03 -40.22 94.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.652 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 19.6 ttp180 -63.25 -36.5 83.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.553 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 19.3 tp -65.52 -46.39 79.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.821 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -57.68 -45.13 86.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.692 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1244 ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' 1240 ' ' SER . 32.2 mt-10 -63.13 -40.85 98.81 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.253 0.549 . . . . 0.0 110.485 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.47 82.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.666 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.09 94.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.838 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.59 -35.33 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.309 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -74.49 -42.35 33.78 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.231 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.2 -31.82 72.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.799 0.333 . . . . 0.0 110.602 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -57.7 -39.46 77.26 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' A' 1255 ' ' GLU . 32.5 tt0 -76.31 -34.21 59.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.227 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.16 86.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.765 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1253 ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' 1257 ' ' VAL . . . -66.4 -38.38 87.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.267 0.556 . . . . 0.0 109.998 174.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 92.5 m -62.71 -36.46 83.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.846 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' 1251 ' ' GLN . 47.6 mt-10 -63.28 -40.26 96.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.948 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.611 ' HB3' HD21 ' A' 1335 ' ' LEU . 35.2 mt -62.86 -36.87 84.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.757 0.313 . . . . 0.0 110.312 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1257 ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' 1253 ' ' ALA . 76.8 t -64.25 -52.0 61.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.057 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1258 ' ' GLN . . . . . 0.496 ' HG2' ' HA ' ' A' 1255 ' ' GLU . 4.6 pt20 -67.16 -36.49 81.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.973 0.416 . . . . 0.0 110.901 -177.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.03 62.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.702 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1260 ' ' SER . . . . . 0.448 ' HA ' HD21 ' A' 1267 ' ' LEU . 73.2 p -64.17 -24.33 67.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.064 0.459 . . . . 0.0 110.809 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -104.32 18.99 21.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.36 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.46 -91.15 0.97 Allowed Glycine 0 N--CA 1.44 -1.062 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 29.8 p -143.04 153.69 60.67 Favored Pre-proline 0 C--O 1.234 0.279 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1264 ' ' PRO . . . . . 0.53 ' HA ' HD12 ' A' 1267 ' ' LEU . 41.7 Cg_exo -60.04 -23.94 74.89 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.831 2.354 . . . . 0.0 111.986 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -74.28 -30.49 62.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -73.12 -40.75 64.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' 1264 ' ' PRO . 82.0 mt -55.47 -35.58 65.66 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.74 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.32 23.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.145 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -67.63 -32.32 72.94 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.809 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.04 97.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.861 174.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1271 ' ' SER . . . . . 0.558 ' OG ' ' HA ' ' A' 1209 ' ' VAL . 9.0 t -65.94 -45.73 80.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.458 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -60.54 -40.03 97.23 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.511 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -76.24 -44.67 36.38 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.755 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 72.3 t80 -53.39 -49.69 66.7 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 123.33 0.394 . . . . 0.0 111.045 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1275 ' ' GLY . . . . . 0.412 ' HA2' HG23 ' A' 1216 ' ' VAL . . . -65.04 -40.12 96.83 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.521 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -71.83 -46.01 59.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.549 0.214 . . . . 0.0 111.296 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.14 -31.28 69.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.437 . . . . 0.0 110.241 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.448 ' CE2' HG13 ' A' 1216 ' ' VAL . 81.2 t80 -56.29 -37.85 70.44 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.849 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 23.0 t -57.7 -51.4 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.036 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 32.0 m -59.13 -39.59 82.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.81 -51.4 67.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.668 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' 1286 ' ' VAL . 26.4 tp -67.47 -41.89 83.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.162 -175.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.4 -32.59 70.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.64 0.257 . . . . 0.0 111.208 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -77.77 -42.13 35.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.881 0.372 . . . . 0.0 110.524 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.76 93.18 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.778 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.739 HG21 ' HB3' ' A' 1223 ' ' LEU . 24.4 t -67.49 -30.77 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 110.459 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.61 -50.86 69.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.703 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1288 ' ' MET . . . . . . . . . . . . . 24.8 ptm -71.01 -28.39 64.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.606 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.06 82.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.009 0.433 . . . . 0.0 110.434 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -75.33 -10.81 84.46 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.363 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1291 ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -95.77 -2.0 48.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.63 -0.335 . . . . 0.0 110.819 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1292 ' ' ALA . . . . . 0.443 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -65.61 121.07 73.36 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.359 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1293 ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 22.6 Cg_exo -65.67 -41.9 13.54 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 123.211 2.607 . . . . 0.0 112.888 -175.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 22.0 m -94.48 127.92 40.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1295 ' ' GLN . . . . . 0.499 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 11.1 pt20 -66.62 -26.36 67.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.571 0.224 . . . . 0.0 110.966 -177.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.55 -43.65 96.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.308 0.575 . . . . 0.0 109.568 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 35.9 t70 -73.47 -38.79 65.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.049 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.499 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 56.6 ttt180 -58.31 -48.87 79.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.042 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -65.68 -33.26 75.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.07 0.462 . . . . 0.0 110.449 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.05 -50.56 65.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.017 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' 1305 ' ' LEU . 11.5 p -63.78 -33.66 63.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.783 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' 1298 ' ' ARG . 73.5 t -65.2 -37.4 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 110.633 175.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 36.9 m -61.85 -40.73 96.35 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.0 0.428 . . . . 0.0 110.231 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1304 ' ' ASN . . . . . 0.561 ' HB2' HD23 ' A' 1349 ' ' LEU . 7.4 m120 -64.76 -42.8 94.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.929 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.5 mt -60.17 -39.42 86.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.432 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -61.98 -41.58 98.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.464 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.61 -46.91 65.34 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.415 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1308 ' ' ILE . . . . . 0.462 HD13 ' O ' ' A' 1308 ' ' ILE . 0.0 OUTLIER -77.29 -34.27 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.403 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 62.7 m -62.89 -43.88 97.61 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.113 0.482 . . . . 0.0 110.969 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1310 ' ' MET . . . . . 0.674 ' HB3' ' HE2' ' A' 1314 ' ' LYS . 0.1 OUTLIER -68.55 -49.36 60.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.847 177.769 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.7 m -59.12 -39.13 81.37 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 12.4 p -67.22 -40.08 86.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.32 0.581 . . . . 0.0 110.084 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1313 ' ' SER . . . . . . . . . . . . . 49.7 m -61.8 -46.6 88.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.574 175.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.674 ' HE2' ' HB3' ' A' 1310 ' ' MET . 60.4 mttm -64.35 -33.74 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.863 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.645 HD22 ' HA ' ' A' 1339 ' ' ALA . 26.2 tp -65.02 -46.96 79.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.588 ' O ' ' HG3' ' A' 1320 ' ' LYS . 79.3 mt -57.91 -38.89 76.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.387 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1317 ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.11 -34.72 72.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.171 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.57 70.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.554 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.26 87.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.127 0.489 . . . . 0.0 110.596 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1320 ' ' LYS . . . . . 1.025 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 8.0 mtpm? -58.98 -48.27 82.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.566 177.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -63.64 -33.11 74.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' 1331 ' ' LEU . 28.4 tp -74.57 -16.7 60.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.417 . . . . 0.0 110.937 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 25.3 m -79.22 -30.29 43.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.028 0.442 . . . . 0.0 110.247 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 7.0 p -91.84 -26.7 18.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.63 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1325 ' ' ASP . . . . . 0.403 ' O ' HD12 ' A' 1322 ' ' LEU . 4.0 m-20 -121.66 72.74 31.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.065 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -82.46 -9.04 11.45 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.743 2.295 . . . . 0.0 112.326 -175.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1327 ' ' ALA . . . . . 0.559 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -97.19 2.34 50.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 -177.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 14.5 m -93.07 101.21 5.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.289 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1329 ' ' PRO . . . . . 0.578 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 18.1 Cg_exo -66.58 -32.47 38.81 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.001 2.468 . . . . 0.0 112.777 -175.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 8.8 t30 -66.77 -31.08 71.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.639 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1331 ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' 1322 ' ' LEU . 21.0 tp -68.75 -25.01 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.724 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.578 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 3.7 mptp? -63.71 -45.38 90.23 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.227 0.537 . . . . 0.0 109.606 174.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 22.3 m -68.73 -35.43 77.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.263 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -65.39 -39.47 92.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 0.0 109.944 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1335 ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' 1256 ' ' LEU . 8.2 tt -63.38 -48.74 76.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.718 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.5 -37.8 76.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.54 83.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.985 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' 1342 ' ' VAL . . . -66.55 -38.76 87.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1339 ' ' ALA . . . . . 0.645 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -63.83 -38.35 90.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.173 0.511 . . . . 0.0 110.457 177.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -37.66 88.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.059 176.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.17 84.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.79 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' 1346 ' ' ILE . 96.4 t -58.71 -51.47 71.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.939 0.399 . . . . 0.0 110.363 177.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 23.4 m -60.0 -37.07 78.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.702 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.88 -47.38 83.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.774 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 45.7 m -65.23 -37.8 88.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.508 ' O ' HG12 ' A' 1350 ' ' ILE . 91.2 mt -58.25 -54.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.007 0.432 . . . . 0.0 109.912 176.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -62.41 -33.59 75.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.261 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.67 -47.27 86.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.452 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.561 HD23 ' HB2' ' A' 1304 ' ' ASN . 2.7 tm? -71.27 -37.7 71.89 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' 1346 ' ' ILE . 33.0 mm -65.71 -36.67 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.171 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 41.5 m -66.59 -34.66 78.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.934 0.397 . . . . 0.0 110.42 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 64.3 mtt -80.31 -27.87 38.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.807 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.333 -0.135 0 CA-C-O 121.1 0.476 . . . . 0.0 109.883 179.132 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.4 -42.38 77.86 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.632 0.253 . . . . 0.0 111.667 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.558 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 34.3 m -71.25 -22.57 22.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.919 0.39 . . . . 0.0 110.697 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -80.82 -48.59 12.22 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.053 0.454 . . . . 0.0 110.064 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 39.6 t30 -62.15 -37.22 84.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.075 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -56.21 -36.52 68.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.317 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1213 ' ' LEU . . . . . 0.607 HD11 ' HD2' ' A' 1320 ' ' LYS . 38.7 mt -66.49 -36.3 82.39 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.089 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -60.41 -38.08 82.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.41 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1215 ' ' ALA . . . . . 0.417 ' HB1' ' OG ' ' A' 1279 ' ' SER . . . -69.88 -44.85 68.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.104 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.547 HG13 ' CE2' ' A' 1278 ' ' PHE . 67.7 t -70.51 -47.54 64.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.574 -177.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -65.4 -47.47 78.77 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.089 -0.576 . . . . 0.0 112.799 -176.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1218 ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' 1222 ' ' ARG . 31.3 t70 -65.49 -35.46 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.191 -0.203 . . . . 0.0 111.011 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1219 ' ' ALA . . . . . 0.431 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -61.76 -47.67 84.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.991 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 33.8 m -62.53 -42.02 99.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.214 0.53 . . . . 0.0 110.495 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -66.67 -40.15 88.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.19 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1222 ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' 1218 ' ' ASP . 0.2 OUTLIER -73.57 -47.52 39.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.094 -175.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.479 HD12 ' HG ' ' A' 1282 ' ' LEU . 62.8 mt -84.44 -25.86 28.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -169.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--N 1.325 -0.5 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.617 -176.591 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1236 ' ' GLN . . . . . 0.506 ' N ' HE22 ' A' 1291 ' ' GLN . 64.0 tt0 . . . . . 0 N--CA 1.469 0.478 0 CA-C-O 120.439 0.161 . . . . 0.0 111.351 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.83 -31.42 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.878 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.96 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.308 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -71.86 -42.12 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.161 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 16.7 m -59.8 -35.09 73.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.962 0.411 . . . . 0.0 110.482 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -72.12 -46.72 55.47 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.196 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1242 ' ' LEU . . . . . 0.449 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 36.1 tp -60.06 -41.77 93.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.79 177.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -60.52 -36.64 78.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.86 -42.2 86.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.666 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -73.32 -35.51 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.919 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.91 63.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.434 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -58.44 -35.53 72.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.303 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -72.54 -43.63 43.8 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.26 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.7 tp -68.6 -30.55 69.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.672 0.272 . . . . 0.0 110.902 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -58.39 -40.59 82.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 0.0 110.477 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -76.14 -34.36 59.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.72 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1252 ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' 1255 ' ' GLU . . . -60.72 -34.1 73.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1253 ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' 1257 ' ' VAL . . . -69.92 -44.05 70.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.095 174.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.0 m -55.07 -36.15 65.29 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.693 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' 1252 ' ' ALA . 66.9 mm-40 -54.96 -50.09 69.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.245 175.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.442 ' HB3' HD21 ' A' 1335 ' ' LEU . 64.2 mt -66.7 -32.58 73.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.964 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1257 ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' 1253 ' ' ALA . 57.9 t -63.66 -52.12 61.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.747 0.308 . . . . 0.0 111.03 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -70.31 -30.7 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.102 0.477 . . . . 0.0 110.474 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -72.26 -27.6 62.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1260 ' ' SER . . . . . 0.449 ' HB2' HD22 ' A' 1335 ' ' LEU . 28.1 t -56.53 -32.46 65.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.928 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1261 ' ' ARG . . . . . 0.454 ' HD2' HH11 ' A' 1261 ' ' ARG . 13.5 mtp180 -109.5 17.52 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -113.74 -99.17 2.33 Favored Glycine 0 N--CA 1.439 -1.156 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 13.1 p -140.88 160.26 59.11 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.543 0.211 . . . . 0.0 110.545 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1264 ' ' PRO . . . . . 0.614 ' HA ' HD12 ' A' 1267 ' ' LEU . 32.3 Cg_exo -60.59 -26.36 82.7 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.72 2.28 . . . . 0.0 111.938 174.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -70.96 -37.95 72.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.448 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -65.32 -44.32 88.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.748 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' 1264 ' ' PRO . 87.0 mt -54.22 -44.26 71.54 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.894 176.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -59.79 -54.99 39.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.54 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.58 -31.81 70.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.517 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -70.08 -43.83 70.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.722 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 46.7 m -58.21 -45.56 87.45 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.43 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.32 -44.74 96.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.718 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1273 ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' 1273 ' ' ARG . 28.1 mtm180 -73.37 -44.23 59.04 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.297 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1274 ' ' PHE . . . . . 0.508 ' HD2' HD21 ' A' 1316 ' ' LEU . 73.0 t80 -57.76 -41.84 82.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.729 -177.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -68.19 -42.89 82.49 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.632 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -69.2 -47.2 65.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.672 0.272 . . . . 0.0 110.989 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.52 -35.99 81.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.651 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.547 ' CE2' HG13 ' A' 1216 ' ' VAL . 74.4 t80 -62.59 -39.4 93.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.627 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1279 ' ' SER . . . . . 0.417 ' OG ' ' HB1' ' A' 1215 ' ' ALA . 22.0 m -57.24 -48.81 77.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.374 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 24.6 m -71.54 -37.77 71.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.691 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1281 ' ' PHE . . . . . 0.451 ' HE2' HG21 ' A' 1308 ' ' ILE . 80.9 t80 -57.5 -51.56 68.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.793 177.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' 1286 ' ' VAL . 41.7 tp -64.12 -40.4 96.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.982 -177.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1283 ' ' GLU . . . . . 0.427 ' HA ' HD13 ' A' 1223 ' ' LEU . 37.7 mt-10 -57.71 -48.63 79.02 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.728 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -64.33 -34.56 78.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.929 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1285 ' ' GLY . . . . . 0.459 ' O ' ' HG2' ' A' 1288 ' ' MET . . . -64.24 -47.34 85.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.355 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' 1282 ' ' LEU . 7.5 t -74.43 -24.35 18.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.274 0.559 . . . . 0.0 109.904 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.27 -42.53 83.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.677 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.643 ' O ' ' HG2' ' A' 1291 ' ' GLN . 12.9 ptm -68.54 -24.9 64.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.042 0.449 . . . . 0.0 109.853 176.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1289 ' ' ALA . . . . . 0.678 ' HB1' ' HG3' ' A' 1298 ' ' ARG . . . -73.3 -8.71 56.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.151 0.501 . . . . 0.0 110.362 173.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -91.1 -27.63 17.96 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.153 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' 1288 ' ' MET . 3.8 pt20 -78.13 -12.58 60.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.211 0.529 . . . . 0.0 109.731 177.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1292 ' ' ALA . . . . . 0.482 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -85.44 115.98 63.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.36 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1293 ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.6 Cg_exo -74.74 -27.66 10.35 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.068 2.512 . . . . 0.0 112.66 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 26.7 m -84.82 129.45 34.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.906 0.384 . . . . 0.0 111.038 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.66 -38.28 90.5 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.967 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.97 -38.92 76.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 0.0 110.384 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.94 -41.86 97.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.265 0.555 . . . . 0.0 109.802 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.678 ' HG3' ' HB1' ' A' 1289 ' ' ALA . 65.8 ttt180 -60.56 -43.05 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.461 174.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.36 79.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.021 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -58.54 -54.02 51.81 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.579 ' O ' ' HG ' ' A' 1305 ' ' LEU . 3.7 p -68.2 -34.38 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.032 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.573 ' HA ' HD12 ' A' 1305 ' ' LEU . 60.5 t -67.5 -30.76 49.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.69 0.281 . . . . 0.0 111.213 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 34.4 m -63.41 -38.1 89.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.853 0.359 . . . . 0.0 110.153 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -65.37 -42.11 93.07 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.369 0.604 . . . . 0.0 109.971 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.2 mt -58.3 -48.14 81.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.715 -176.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.24 -41.82 97.54 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.35 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -55.14 -45.43 82.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.609 -177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1308 ' ' ILE . . . . . 0.451 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -77.52 -36.06 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 122.62 -0.341 . . . . 0.0 110.465 179.131 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1309 ' ' SER . . . . . 0.465 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 50.3 m -64.75 -46.96 79.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 111.281 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1310 ' ' MET . . . . . 0.599 ' O ' ' HG3' ' A' 1314 ' ' LYS . 19.1 ptm -66.04 -38.33 88.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.225 -178.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 22.4 m -70.72 -35.19 72.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.245 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 38.9 t -62.56 -44.39 96.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.504 0.669 . . . . 0.0 109.336 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.533 ' O ' ' HG ' ' A' 1317 ' ' LEU . 64.0 m -58.43 -51.32 70.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.641 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' 1310 ' ' MET . 85.9 mttt -65.75 -32.87 74.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.155 -177.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.585 HD22 ' HA ' ' A' 1339 ' ' ALA . 46.3 tp -65.39 -46.96 78.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.996 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.552 ' O ' ' HG3' ' A' 1320 ' ' LYS . 99.4 mt -65.57 -32.74 74.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.777 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' 1313 ' ' SER . 95.8 mt -61.79 -35.25 77.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.002 0.429 . . . . 0.0 110.434 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.86 -36.23 75.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.343 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -65.58 -33.29 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.721 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1320 ' ' LYS . . . . . 0.607 ' HD2' HD11 ' A' 1213 ' ' LEU . 6.2 mtpm? -64.33 -47.72 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.129 0.49 . . . . 0.0 110.187 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1321 ' ' ALA . . . . . 0.424 ' C ' HD21 ' A' 1331 ' ' LEU . . . -66.5 -33.66 76.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.782 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' 1325 ' ' ASP . 24.6 tp -81.7 -16.81 50.03 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 10.0 p -85.39 -26.06 26.67 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.411 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 6.5 t -91.54 -30.27 16.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 109.913 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1325 ' ' ASP . . . . . 0.42 ' O ' HD12 ' A' 1322 ' ' LEU . 10.0 t70 -128.16 92.91 40.35 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.342 176.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -92.85 14.83 1.56 Allowed 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 122.793 2.328 . . . . 0.0 112.316 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -102.22 -42.71 5.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.732 -174.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1328 ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 18.4 m -61.68 111.68 4.83 Favored Pre-proline 0 CA--C 1.533 0.296 0 O-C-N 123.293 0.37 . . . . 0.0 111.714 -175.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1329 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1328 ' ' SER . 21.8 Cg_exo -65.54 -31.78 50.06 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.021 2.481 . . . . 0.0 111.931 -178.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -62.76 -28.24 69.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.417 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1331 ' ' LEU . . . . . 0.424 HD21 ' C ' ' A' 1321 ' ' ALA . 20.5 tp -76.17 -34.41 59.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.441 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' 1260 ' ' SER . 4.4 mptp? -58.02 -53.05 62.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.16 0.505 . . . . 0.0 109.924 174.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 43.5 m -64.27 -39.57 94.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.146 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.79 -43.47 94.4 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.715 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1335 ' ' LEU . . . . . 0.449 HD22 ' HB2' ' A' 1260 ' ' SER . 9.7 tt -64.07 -48.19 77.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.988 177.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1336 ' ' ALA . . . . . 0.624 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -56.71 -39.55 74.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.236 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.93 99.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.166 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' 1342 ' ' VAL . . . -69.67 -37.68 76.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.497 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1339 ' ' ALA . . . . . 0.585 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.23 -43.72 98.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.794 177.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1340 ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' 1336 ' ' ALA . 29.6 mmt180 -59.59 -41.92 91.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.194 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.57 99.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.977 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' 1346 ' ' ILE . 89.7 t -62.3 -52.91 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.457 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1343 ' ' THR . . . . . 0.415 ' HA ' HD12 ' A' 1346 ' ' ILE . 25.7 m -61.76 -34.69 76.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 110.812 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.98 -46.52 84.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.536 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 48.8 m -72.79 -28.36 62.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.425 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' 1342 ' ' VAL . 91.7 mt -61.23 -54.43 35.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.947 0.403 . . . . 0.0 110.188 175.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 6.9 p30 -71.76 -28.87 63.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.298 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -60.88 -46.56 90.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.836 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.0 -52.06 67.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.205 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.449 ' CD1' ' HG ' ' A' 1242 ' ' LEU . 41.0 mm -62.35 -45.82 97.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.389 -177.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 50.2 m -69.48 -43.95 72.13 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 93.0 mmm -76.25 -27.23 56.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.605 0.241 . . . . 0.0 111.578 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1353 ' ' CYS . . . . . 0.461 ' HB3' ' HE1' ' A' 1288 ' ' MET . 94.7 m . . . . . 0 C--N 1.323 -0.561 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.442 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1207 ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' 1207 ' ' ARG . 22.4 mmt180 . . . . . 0 C--O 1.224 -0.242 0 CA-C-O 120.438 0.161 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1208 ' ' ASP . . . . . 0.721 ' HA ' ' HB3' ' A' 1211 ' ' ASN . 23.4 m-20 -62.5 -22.73 66.5 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -174.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1209 ' ' VAL . . . . . . . . . . . . . 33.4 m -71.32 -28.66 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.885 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -83.53 -45.97 12.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.845 173.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1211 ' ' ASN . . . . . 0.721 ' HB3' ' HA ' ' A' 1208 ' ' ASP . 34.6 t30 -51.99 -43.6 63.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.096 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1212 ' ' ALA . . . . . 0.567 ' HB1' HD13 ' A' 1316 ' ' LEU . . . -53.81 -54.55 36.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.32 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1213 ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' 1316 ' ' LEU . 59.2 mt -63.8 -39.61 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -58.87 -44.32 91.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.564 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.7 -48.74 53.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.58 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1216 ' ' VAL . . . . . . . . . . . . . 88.9 t -60.54 -42.75 92.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.97 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -70.11 -26.31 74.45 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.57 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1218 ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' A' 1221 ' ' LYS . 14.0 t70 -83.87 -39.19 20.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.365 . . . . 0.0 110.969 -177.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1219 ' ' ALA . . . . . 0.452 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -63.05 -44.7 95.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.304 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1220 ' ' SER . . . . . 0.588 ' O ' ' HB2' ' A' 1224 ' ' LEU . 15.0 p -67.96 -26.79 66.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.408 0.623 . . . . 0.0 110.294 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1221 ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' 1218 ' ' ASP . 27.2 ttmt -69.16 -57.04 5.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.798 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -70.7 -54.06 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.927 -177.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.491 ' HB3' HG21 ' A' 1286 ' ' VAL . 83.5 mt -67.35 -42.59 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -169.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1224 ' ' LEU . . . . . 0.588 ' HB2' ' O ' ' A' 1220 ' ' SER . 4.6 mm? . . . . . 0 C--N 1.333 -0.147 0 CA-C-O 121.06 0.457 . . . . 0.0 112.057 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 121.317 0.579 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.62 -38.29 83.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.025 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -69.31 -30.12 68.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.102 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -68.0 -44.71 75.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.552 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 35.2 t -63.02 -35.48 80.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.677 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -61.73 -40.21 94.27 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.859 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1242 ' ' LEU . . . . . 0.469 HD12 ' SD ' ' A' 1288 ' ' MET . 1.0 OUTLIER -61.54 -38.99 89.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.656 176.414 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -66.84 -41.38 87.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.826 0.346 . . . . 0.0 110.458 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.89 -50.9 71.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.288 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -66.33 -34.04 77.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.189 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.12 74.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.254 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.91 93.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.697 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.71 -44.3 96.55 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.102 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 26.0 tp -73.07 -35.15 66.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.77 0.319 . . . . 0.0 110.765 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -61.7 -40.16 94.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.12 0.486 . . . . 0.0 110.289 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' 1255 ' ' GLU . 23.7 tt0 -73.3 -33.2 65.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.276 176.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1252 ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -62.0 -38.11 87.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.964 0.411 . . . . 0.0 110.43 176.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1253 ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' 1257 ' ' VAL . . . -65.02 -39.3 93.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.135 0.493 . . . . 0.0 109.793 172.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 76.1 m -62.08 -37.82 86.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.713 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' 1251 ' ' GLN . 42.7 mm-40 -55.68 -49.83 71.9 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.992 174.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.472 ' HB3' HD21 ' A' 1335 ' ' LEU . 52.4 mt -62.21 -34.77 77.1 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.263 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1257 ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' 1253 ' ' ALA . 80.6 t -62.2 -52.28 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.753 0.311 . . . . 0.0 110.703 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -61.7 -43.1 99.49 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.158 0.504 . . . . 0.0 110.587 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1259 ' ' ALA . . . . . 0.505 ' HB1' ' CA ' ' A' 1267 ' ' LEU . . . -67.88 -33.31 74.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.818 -178.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1260 ' ' SER . . . . . 0.532 ' HA ' HD21 ' A' 1322 ' ' LEU . 35.5 t -61.12 -32.37 72.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.963 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -58.51 -29.68 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.385 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 137.42 91.88 0.28 Allowed Glycine 0 CA--C 1.499 -0.929 0 C-N-CA 120.117 -1.039 . . . . 0.0 115.449 162.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1263 ' ' THR . . . . . 0.549 HG23 ' HB2' ' A' 1266 ' ' ASP . 0.0 OUTLIER -168.21 117.65 0.64 Allowed Pre-proline 0 N--CA 1.446 -0.625 0 CA-C-N 114.412 -0.894 . . . . 0.0 109.186 169.695 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1264 ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' 1263 ' ' THR . 35.2 Cg_exo -60.57 -43.19 34.41 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.373 2.715 . . . . 0.0 113.253 -170.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -67.65 -28.49 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1266 ' ' ASP . . . . . 0.549 ' HB2' HG23 ' A' 1263 ' ' THR . 2.1 m-20 -75.34 -56.0 5.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.189 176.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.505 ' CA ' ' HB1' ' A' 1259 ' ' ALA . 47.1 tp -54.79 -50.77 67.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.591 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -61.61 -51.86 66.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.107 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1269 ' ' ARG . . . . . 0.665 ' HA ' ' HE ' ' A' 1269 ' ' ARG . 1.0 OUTLIER -61.6 -36.54 81.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.704 -179.363 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.68 95.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.637 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 16.6 m -59.8 -47.15 86.86 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.293 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -62.79 -34.44 89.75 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.632 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -75.7 -42.76 50.09 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.545 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1274 ' ' PHE . . . . . 0.409 ' CD2' HD21 ' A' 1316 ' ' LEU . 68.0 t80 -57.37 -47.03 82.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.617 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -66.38 -28.85 73.98 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.185 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -75.02 -51.91 12.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.09 -29.84 70.6 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.691 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.558 ' HE1' ' HA ' ' A' 1309 ' ' SER . 83.0 t80 -57.18 -47.68 80.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.048 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 91.0 p -63.75 -40.34 96.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.342 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 19.2 m -62.22 -37.14 84.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.226 0.536 . . . . 0.0 110.558 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1281 ' ' PHE . . . . . 0.419 ' HE2' HG21 ' A' 1308 ' ' ILE . 74.2 t80 -71.63 -51.16 24.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.753 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' 1286 ' ' VAL . 28.5 tp -61.64 -44.2 97.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.358 -175.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.56 -44.97 89.88 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.646 0.26 . . . . 0.0 111.277 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.1 99.66 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.028 0.442 . . . . 0.0 110.621 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.56 -45.62 95.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.183 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' 1223 ' ' LEU . 92.6 t -65.69 -36.01 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.437 0.16 . . . . 0.0 110.923 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1287 ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' 1291 ' ' GLN . 36.6 tt0 -61.26 -45.98 92.24 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.602 0.239 . . . . 0.0 110.623 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.494 ' HE1' ' HB2' ' A' 1353 ' ' CYS . 21.0 ptm -78.23 -26.82 47.5 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.985 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -68.17 -35.15 77.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.962 0.411 . . . . 0.0 110.426 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -71.67 -13.07 74.65 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.944 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' 1287 ' ' GLU . 9.6 pt20 -114.8 12.81 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.843 0.354 . . . . 0.0 111.334 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1292 ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -72.18 123.81 89.99 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.914 174.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1293 ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 22.8 Cg_exo -64.87 -55.83 0.46 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.144 2.562 . . . . 0.0 113.363 -174.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1294 ' ' SER . . . . . 0.427 ' HB2' ' HB3' ' A' 1297 ' ' ASP . 16.2 m -76.97 128.2 34.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.703 -177.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -64.42 -33.69 76.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.809 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.69 -45.3 79.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.475 0.655 . . . . 0.0 109.707 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1297 ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' A' 1294 ' ' SER . 34.8 t70 -64.25 -42.57 96.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.345 178.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.483 ' HA ' HG12 ' A' 1301 ' ' VAL . 71.5 ttt180 -63.82 -43.37 96.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.619 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.94 80.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.863 0.363 . . . . 0.0 110.527 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -63.59 -53.44 51.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.821 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.53 ' HA ' ' OD1' ' A' 1304 ' ' ASN . 12.2 p -63.34 -32.19 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.284 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.592 ' HA ' HD12 ' A' 1305 ' ' LEU . 72.9 t -69.41 -35.57 67.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.017 0.437 . . . . 0.0 110.682 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 12.7 t -68.09 -36.71 80.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.026 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1304 ' ' ASN . . . . . 0.661 ' CB ' ' HG ' ' A' 1349 ' ' LEU . 8.6 m120 -59.13 -40.12 84.46 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.235 0.541 . . . . 0.0 109.604 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.637 HD23 HD11 ' A' 1349 ' ' LEU . 89.5 mt -58.05 -42.67 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.523 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -67.86 -41.86 82.25 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.361 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.11 -45.13 63.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.436 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1308 ' ' ILE . . . . . 0.585 HG13 HG12 ' A' 1346 ' ' ILE . 0.0 OUTLIER -78.95 -41.1 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.972 179.416 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1309 ' ' SER . . . . . 0.558 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 68.3 m -59.11 -46.71 87.61 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.744 0.306 . . . . 0.0 111.031 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1310 ' ' MET . . . . . . . . . . . . . 51.1 mtm -58.82 -53.09 62.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.861 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 42.2 m -59.52 -38.76 81.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.314 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 50.8 m -65.7 -39.99 91.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.404 0.621 . . . . 0.0 110.069 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' 1317 ' ' LEU . 48.9 m -62.07 -50.97 69.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.386 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.596 ' HA ' HD12 ' A' 1317 ' ' LEU . 49.4 mttm -61.65 -32.67 72.85 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.33 -178.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.407 HD23 ' CZ ' ' A' 1274 ' ' PHE . 41.6 tp -65.89 -48.93 69.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 110.928 177.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.567 HD13 ' HB1' ' A' 1212 ' ' ALA . 79.9 mt -66.01 -26.57 67.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.24 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' 1314 ' ' LYS . 95.0 mt -59.87 -27.66 66.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.776 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.81 57.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.184 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.46 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -51.38 -50.07 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.777 174.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -78.35 -29.01 47.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.429 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' 1260 ' ' SER . 36.1 tp -78.09 -21.55 50.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.574 -175.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 21.5 p -74.4 -28.95 61.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.101 0.477 . . . . 0.0 110.452 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 17.3 p -92.53 -30.44 15.67 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 176.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1325 ' ' ASP . . . . . 0.466 ' O ' HD12 ' A' 1322 ' ' LEU . 10.4 t70 -127.69 89.83 49.82 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.156 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -92.09 16.57 1.42 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.63 2.22 . . . . 0.0 112.203 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -105.91 -39.14 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.028 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 23.6 m -62.74 115.31 16.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.925 0.393 . . . . 0.0 111.503 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1329 ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 21.7 Cg_exo -64.89 -33.95 50.54 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.079 2.519 . . . . 0.0 112.043 -178.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -63.43 -25.96 68.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.749 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 14.6 tp -76.02 -30.65 58.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.875 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.3 mptm? -62.16 -47.35 84.93 Favored 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 10.0 m -62.12 -36.56 82.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.207 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.36 -46.29 87.23 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 110.338 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1335 ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.1 tt -67.01 -46.75 73.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.299 -179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1336 ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -55.86 -42.28 75.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.051 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.86 86.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.024 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.05 -35.27 79.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -61.57 -39.92 92.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.638 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1340 ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' 1336 ' ' ALA . 36.4 mmt180 -60.42 -40.5 91.22 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 177.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.63 94.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.726 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' 1338 ' ' ALA . 79.8 t -65.49 -52.3 53.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.68 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 41.8 m -56.22 -46.7 79.42 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.039 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.06 -45.47 94.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.222 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 27.5 m -65.29 -37.7 87.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.131 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.585 HG12 HG13 ' A' 1308 ' ' ILE . 79.9 mt -61.83 -53.23 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.031 0.443 . . . . 0.0 110.378 177.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -64.04 -37.73 88.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.852 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -62.32 -36.12 81.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.635 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.661 ' HG ' ' CB ' ' A' 1304 ' ' ASN . 2.8 tt -64.83 -50.89 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.618 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 37.4 mm -63.29 -44.34 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.159 -177.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 95.8 m -56.3 -36.6 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 111.204 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 21.9 mmt -78.12 -46.75 19.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.578 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1353 ' ' CYS . . . . . 0.618 ' SG ' ' HA ' ' A' 1350 ' ' ILE . 28.7 p . . . . . 0 C--O 1.233 0.203 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -174.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.637 0.256 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.05 -31.38 71.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.563 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 29.7 m -80.58 -27.88 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.368 -176.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -82.77 -44.5 15.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 9.9 t30 -60.15 -33.94 72.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.585 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1212 ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' 1216 ' ' VAL . . . -59.63 -47.24 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.648 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1213 ' ' LEU . . . . . 0.596 HD21 ' HB2' ' A' 1316 ' ' LEU . 25.7 mt -64.82 -35.65 81.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.721 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -59.74 -43.55 94.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.969 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.68 -46.62 71.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.25 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.538 HG13 ' CE2' ' A' 1278 ' ' PHE . 76.6 t -60.6 -48.6 87.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.062 0.458 . . . . 0.0 110.865 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.79 -39.24 97.23 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.076 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.26 -48.8 79.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.47 . . . . 0.0 110.64 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1219 ' ' ALA . . . . . 0.554 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -61.94 -49.15 77.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.176 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1220 ' ' SER . . . . . 0.53 ' O ' ' HB3' ' A' 1224 ' ' LEU . 24.5 t -65.47 -24.56 67.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.952 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 57.1 tptt -78.24 -57.77 3.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.859 0.361 . . . . 0.0 111.016 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -73.75 -54.57 7.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.896 -173.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.452 ' HB3' HG21 ' A' 1286 ' ' VAL . 57.4 mt -63.29 -39.35 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.863 -171.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1224 ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' 1220 ' ' SER . 14.6 tp . . . . . 0 N--CA 1.441 -0.897 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.157 -173.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 51.5 tt0 . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.728 0.299 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -62.88 -49.39 75.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.1 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -61.38 -36.3 79.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.058 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1239 ' ' GLN . . . . . 0.805 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 61.7 tt0 -62.76 -51.91 65.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.033 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1240 ' ' SER . . . . . 0.506 ' O ' ' HG2' ' A' 1244 ' ' GLU . 8.8 m -60.21 -36.05 76.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.368 0.604 . . . . 0.0 109.981 177.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -66.09 -44.63 83.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.893 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1242 ' ' LEU . . . . . 0.564 HD22 ' HB1' ' A' 1284 ' ' ALA . 2.7 mm? -65.63 -35.6 81.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -62.66 -42.7 99.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.759 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1244 ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' 1240 ' ' SER . 29.7 mm-40 -65.73 -44.99 84.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.366 0.603 . . . . 0.0 110.164 178.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -69.25 -42.16 75.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.725 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1246 ' ' ALA . . . . . 0.512 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -60.3 -53.84 52.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.989 -176.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.52 97.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.864 0.364 . . . . 0.0 111.002 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.45 94.28 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.041 178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 26.0 tp -71.01 -34.61 71.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.488 0.185 . . . . 0.0 110.757 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -59.62 -44.54 93.4 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 110.552 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' 1255 ' ' GLU . 27.1 tt0 -72.62 -32.63 66.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.226 176.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.32 91.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.92 0.391 . . . . 0.0 110.945 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1253 ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' 1257 ' ' VAL . . . -63.77 -41.57 97.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.33 0.586 . . . . 0.0 110.006 174.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 95.7 m -62.83 -33.66 75.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.158 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' 1251 ' ' GLN . 13.0 mm-40 -59.14 -41.72 88.96 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.712 176.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.58 ' HB3' HD21 ' A' 1335 ' ' LEU . 36.3 mt -67.06 -31.92 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.713 176.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1257 ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' 1253 ' ' ALA . 60.6 t -63.87 -50.29 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.796 178.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -73.31 -29.08 62.45 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.531 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.69 94.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.463 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1260 ' ' SER . . . . . 0.579 ' OG ' ' HA ' ' A' 1332 ' ' LYS . 14.8 t -56.51 -27.54 57.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.997 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -107.77 24.21 13.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.712 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -129.6 -99.64 0.9 Allowed Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.974 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 71.0 p -140.99 154.07 67.95 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.591 0.195 . . . . 0.0 111.101 -173.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.44 -34.35 88.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.887 2.392 . . . . 0.0 112.599 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -73.48 -26.76 61.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.547 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.45 -44.06 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.703 HD21 HD23 ' A' 1322 ' ' LEU . 5.4 mp -58.54 -42.1 87.05 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.662 174.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -57.35 -54.87 41.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.243 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1269 ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' 1269 ' ' ARG . 37.1 ttp180 -56.33 -42.98 78.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.118 0.485 . . . . 0.0 110.317 177.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.96 99.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.13 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 32.8 m -64.47 -41.77 96.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.938 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -65.41 -45.9 88.3 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.438 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -63.05 -48.67 77.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 72.8 t80 -57.18 -48.57 78.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.973 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -67.24 -44.81 85.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.853 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.31 -42.51 83.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.92 -177.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.7 -35.58 67.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.538 ' CE2' HG13 ' A' 1216 ' ' VAL . 68.6 t80 -61.68 -39.84 92.87 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 176.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1279 ' ' SER . . . . . 0.613 ' O ' ' HG3' ' A' 1283 ' ' GLU . 50.2 m -55.26 -48.8 73.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.385 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 12.5 m -68.37 -35.88 78.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.776 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1281 ' ' PHE . . . . . 0.45 ' HE2' HG21 ' A' 1308 ' ' ILE . 77.9 t80 -61.19 -47.28 86.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.717 177.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.554 HD23 ' HB1' ' A' 1219 ' ' ALA . 29.7 tp -68.38 -37.39 80.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -177.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1283 ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' 1279 ' ' SER . 86.8 mt-10 -57.53 -43.73 84.56 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.041 0.448 . . . . 0.0 110.035 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1284 ' ' ALA . . . . . 0.564 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -68.45 -36.13 78.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.814 177.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1285 ' ' GLY . . . . . 0.427 ' HA3' HD21 ' A' 1305 ' ' LEU . . . -63.62 -45.33 94.84 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.372 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' 1282 ' ' LEU . 33.1 t -69.88 -28.67 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.126 0.489 . . . . 0.0 109.957 177.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1287 ' ' GLU . . . . . 0.452 ' HB3' ' O ' ' A' 1284 ' ' ALA . 42.2 tt0 -59.73 -41.83 91.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.775 173.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.421 ' O ' ' HG3' ' A' 1291 ' ' GLN . 83.4 mmm -59.29 -47.4 85.52 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.489 174.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -58.66 -37.3 75.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.253 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -70.23 -39.51 71.58 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.862 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' 1288 ' ' MET . 0.0 OUTLIER -82.62 -13.49 56.41 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.629 -0.336 . . . . 0.0 111.448 -176.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -59.44 129.26 86.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.165 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.44 -64.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.861 2.374 . . . . 0.0 112.708 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 16.4 m -89.95 144.56 25.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.384 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1295 ' ' GLN . . . . . 0.606 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 53.7 mt-30 -74.75 -11.41 60.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.358 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.26 -38.51 65.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 173.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -72.75 -36.15 67.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.606 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 34.2 ttt180 -62.2 -45.72 92.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.225 175.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.77 81.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.595 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -61.92 -51.49 67.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.323 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.602 ' O ' ' HG ' ' A' 1305 ' ' LEU . 13.1 p -64.15 -35.15 72.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.944 -177.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.521 ' HA ' HD12 ' A' 1305 ' ' LEU . 62.9 t -69.25 -36.68 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 50.3 m -62.21 -38.42 89.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.54 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1304 ' ' ASN . . . . . 0.696 ' HB2' HD23 ' A' 1349 ' ' LEU . 40.0 m-20 -64.1 -43.02 96.64 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.248 0.547 . . . . 0.0 109.581 175.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.5 mt -57.54 -49.69 75.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.939 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -59.39 -45.64 90.9 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.27 -48.52 63.67 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.273 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1308 ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' 1308 ' ' ILE . 0.1 OUTLIER -73.73 -36.64 47.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.903 0.352 . . . . 0.0 110.274 -179.266 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 48.8 m -63.35 -42.26 98.9 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1310 ' ' MET . . . . . 0.489 ' O ' ' HG3' ' A' 1314 ' ' LYS . 26.2 ptt? -72.11 -36.93 69.57 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.204 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 48.0 m -67.8 -41.46 83.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.997 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 29.6 p -64.53 -39.68 94.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.457 0.646 . . . . 0.0 109.937 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.544 ' O ' ' HG ' ' A' 1317 ' ' LEU . 64.6 m -61.34 -50.98 70.73 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.925 176.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' 1317 ' ' LEU . 57.2 mttm -63.74 -29.78 70.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.813 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' 1339 ' ' ALA . 35.3 tp -67.12 -50.63 60.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.698 175.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.596 ' HB2' HD21 ' A' 1213 ' ' LEU . 87.9 mt -64.66 -26.96 68.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.477 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 1313 ' ' SER . 92.1 mt -58.33 -38.53 77.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.702 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -74.9 -34.16 62.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.44 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.17 96.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.829 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1320 ' ' LYS . . . . . 0.563 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 27.8 mtmt -63.34 -44.28 95.31 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.219 0.533 . . . . 0.0 110.872 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.31 93.34 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.721 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.703 HD23 HD21 ' A' 1267 ' ' LEU . 33.1 tp -75.19 -23.67 57.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.706 -176.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 9.1 p -79.75 -14.51 58.68 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.125 -0.359 . . . . 0.0 111.173 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 12.1 t -106.95 -22.02 12.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.056 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 8.5 t0 -135.98 86.89 25.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -86.16 0.87 8.07 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.441 2.094 . . . . 0.0 112.667 -178.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -89.15 -35.2 16.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1328 ' ' SER . . . . . 0.471 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 49.7 m -64.45 113.14 9.48 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.052 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1329 ' ' PRO . . . . . 0.616 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 10.9 Cg_exo -71.3 -29.28 17.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.175 2.583 . . . . 0.0 112.78 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.18 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 111.018 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.03 -28.41 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.717 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.616 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 2.7 mptp? -66.99 -51.67 52.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 2.3 m -61.75 -42.92 99.6 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.73 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.03 -38.95 92.55 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.946 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1335 ' ' LEU . . . . . 0.58 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.0 tt -66.7 -49.22 66.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.21 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.98 76.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -68.92 -33.9 74.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' 1342 ' ' VAL . . . -73.65 -39.79 64.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.694 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1339 ' ' ALA . . . . . 0.48 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -62.62 -37.2 85.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.153 0.501 . . . . 0.0 110.334 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -60.61 -39.96 90.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.596 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.7 90.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.768 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' 1346 ' ' ILE . 95.5 t -60.75 -50.9 78.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.774 178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 62.2 m -52.41 -45.39 65.89 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.359 0.412 . . . . 0.0 111.524 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.74 -51.99 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.384 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 5.8 p -66.82 -31.15 71.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.085 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.576 ' O ' HG12 ' A' 1350 ' ' ILE . 74.3 mt -59.21 -50.49 79.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -71.33 -29.12 64.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.779 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -62.33 -38.46 89.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.265 0.555 . . . . 0.0 110.053 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.696 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.4 tm? -70.91 -42.53 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.394 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' 1346 ' ' ILE . 35.9 mm -65.6 -27.15 40.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.35 -178.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 62.0 m -60.85 -30.59 70.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.265 0.555 . . . . 0.0 110.508 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1352 ' ' MET . . . . . 0.434 ' HG2' ' HB ' ' A' 1301 ' ' VAL . 45.4 tpp -78.4 -34.33 48.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.512 177.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1353 ' ' CYS . . . . . 0.805 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 37.3 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.687 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1207 ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' 1207 ' ' ARG . 1.5 mmp_? . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 120.545 0.212 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.5 -41.16 84.71 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.595 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.527 ' HB ' ' CD ' ' A' 1320 ' ' LYS . 2.3 m -83.98 -26.7 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.798 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -80.84 -53.86 6.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.787 0.327 . . . . 0.0 111.122 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -65.58 -27.08 68.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -57.9 -34.88 70.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.032 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 39.4 mt -72.15 -34.93 68.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -75.69 -35.4 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.383 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.58 80.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.982 0.42 . . . . 0.0 110.488 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.566 HG13 ' CE2' ' A' 1278 ' ' PHE . 96.9 t -68.67 -39.02 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.347 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.69 -54.32 32.17 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.946 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1218 ' ' ASP . . . . . 0.541 ' HA ' ' HE2' ' A' 1221 ' ' LYS . 52.2 m-20 -54.71 -46.99 74.28 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.705 0.288 . . . . 0.0 110.995 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1219 ' ' ALA . . . . . 0.454 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -60.78 -47.78 84.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1220 ' ' SER . . . . . 0.514 ' HA ' HD23 ' A' 1224 ' ' LEU . 11.7 p -68.32 -39.13 82.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.691 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1221 ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' 1218 ' ' ASP . 44.5 mtmt -62.09 -38.25 88.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.75 0.31 . . . . 0.0 110.954 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -77.2 -60.16 2.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.36 0.6 . . . . 0.0 110.794 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.72 ' HB3' HG21 ' A' 1286 ' ' VAL . 85.0 mt -65.8 -44.34 85.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.916 -168.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1224 ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' 1220 ' ' SER . 4.1 mm? . . . . . 0 C--N 1.332 -0.153 0 CA-C-O 121.12 0.486 . . . . 0.0 111.848 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 C--O 1.227 -0.12 0 CA-C-O 120.415 0.15 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -54.68 -46.36 74.08 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.03 81.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.742 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -64.41 -52.96 55.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.424 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 28.4 m -60.49 -30.79 69.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.039 0.447 . . . . 0.0 110.549 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -74.59 -33.96 62.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.378 0.608 . . . . 0.0 109.585 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1242 ' ' LEU . . . . . 0.45 HD21 ' CD1' ' A' 1349 ' ' LEU . 28.7 tp -66.15 -39.34 89.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.126 176.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -56.54 -44.53 80.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.975 0.417 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.18 -39.61 93.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.069 177.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1245 ' ' ALA . . . . . 0.587 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -66.43 -36.91 83.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.115 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.17 -52.66 64.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.24 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.27 74.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.203 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.18 -49.24 41.29 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.1 tp -69.86 -29.31 66.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.568 0.223 . . . . 0.0 111.0 -176.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -56.71 -46.1 81.45 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.949 0.404 . . . . 0.0 110.307 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' 1255 ' ' GLU . 24.1 tt0 -75.48 -31.71 60.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.371 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.68 87.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.83 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.62 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.152 0.501 . . . . 0.0 110.184 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 92.9 m -65.83 -33.91 76.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.079 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' 1251 ' ' GLN . 35.9 mm-40 -58.81 -40.03 82.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.014 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.783 ' HB3' HD21 ' A' 1335 ' ' LEU . 17.2 mt -64.25 -37.02 86.0 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.603 176.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 48.5 t -64.5 -48.5 84.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.985 0.421 . . . . 0.0 110.403 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -64.71 -33.99 77.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.598 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.38 89.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.919 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1260 ' ' SER . . . . . 0.673 ' HB3' ' HG3' ' A' 1332 ' ' LYS . 41.4 m -65.59 -23.58 66.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.326 0.584 . . . . 0.0 110.718 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -97.23 7.6 46.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.459 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -122.9 -97.98 1.37 Allowed Glycine 0 N--CA 1.437 -1.275 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.613 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1263 ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' 1264 ' ' PRO . 16.8 p -133.42 158.38 75.78 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.648 0.261 . . . . 0.0 111.081 -174.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1264 ' ' PRO . . . . . 0.435 ' HA ' HD12 ' A' 1267 ' ' LEU . 10.8 Cg_endo -57.1 -28.66 79.96 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.064 2.509 . . . . 0.0 112.163 174.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -78.04 -28.52 49.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.205 -175.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.75 -42.42 95.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.512 HD11 HD22 ' A' 1322 ' ' LEU . 66.6 mt -58.82 -36.25 74.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.308 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -63.79 -55.28 24.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.712 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -60.05 -41.52 92.5 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.853 0.359 . . . . 0.0 110.449 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.4 83.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.096 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1271 ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 2.5 m -58.53 -48.31 81.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.359 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.68 -40.0 98.11 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.859 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -65.7 -53.55 39.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.723 0.297 . . . . 0.0 110.58 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -58.19 -45.58 87.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.196 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.79 -42.19 98.61 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.483 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -69.72 -44.25 70.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.075 0.464 . . . . 0.0 110.851 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 6.8 t70 -70.52 -33.63 71.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.655 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.566 ' CE2' HG13 ' A' 1216 ' ' VAL . 86.7 t80 -57.74 -36.16 71.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.044 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 18.0 m -60.08 -43.95 95.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.402 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 7.0 m -62.87 -35.23 79.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.829 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1281 ' ' PHE . . . . . 0.587 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 76.0 t80 -76.12 -55.01 5.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.332 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' 1286 ' ' VAL . 33.4 tp -60.7 -46.43 90.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.439 -172.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1283 ' ' GLU . . . . . 0.489 ' HG2' HD11 ' A' 1223 ' ' LEU . 44.9 mt-10 -58.85 -42.68 89.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.257 -0.177 . . . . 0.0 111.044 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.15 89.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.94 0.4 . . . . 0.0 111.036 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1285 ' ' GLY . . . . . 0.421 ' HA2' HD22 ' A' 1242 ' ' LEU . . . -63.11 -46.44 93.29 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.453 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.72 HG21 ' HB3' ' A' 1223 ' ' LEU . 42.5 t -68.58 -35.97 72.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.792 0.33 . . . . 0.0 110.701 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1287 ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' 1291 ' ' GLN . 37.9 tt0 -58.96 -52.98 63.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.788 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' 1288 ' ' MET . 19.8 ptm -67.62 -26.64 66.34 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.721 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.84 93.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.989 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -72.11 -20.63 79.14 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.026 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' 1287 ' ' GLU . 14.8 mm100 -83.76 -6.27 59.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.78 0.324 . . . . 0.0 110.813 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1292 ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -64.0 121.87 73.98 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.274 178.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1293 ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 25.6 Cg_exo -64.05 -58.76 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 123.009 2.472 . . . . 0.0 113.065 -176.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1294 ' ' SER . . . . . 0.477 ' HB2' ' OD1' ' A' 1297 ' ' ASP . 21.0 m -78.0 148.81 34.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.519 -174.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -62.34 -52.61 62.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.722 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -63.61 -38.79 92.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1297 ' ' ASP . . . . . 0.477 ' OD1' ' HB2' ' A' 1294 ' ' SER . 4.9 m-20 -61.22 -45.04 96.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.095 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' 1302 ' ' VAL . 42.1 ttt180 -63.25 -45.98 89.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.674 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -67.01 -35.09 79.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.764 0.316 . . . . 0.0 111.266 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -65.82 -45.37 82.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.581 ' O ' ' HG ' ' A' 1305 ' ' LEU . 7.5 p -68.93 -33.12 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.111 -178.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.576 ' HA ' HD12 ' A' 1305 ' ' LEU . 85.4 t -69.58 -33.79 58.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.2 p -64.93 -39.25 93.22 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.266 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1304 ' ' ASN . . . . . 0.802 ' HB2' HD23 ' A' 1349 ' ' LEU . 41.4 m-80 -62.39 -37.11 84.5 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.298 0.571 . . . . 0.0 109.904 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' 1301 ' ' VAL . 90.5 mt -61.03 -38.53 86.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.434 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -47.12 80.09 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -50.89 -48.07 46.02 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.715 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -37.93 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.249 -178.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 56.2 p -69.88 -37.55 76.07 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 122.139 -0.35 . . . . 0.0 111.224 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1310 ' ' MET . . . . . . . . . . . . . 89.0 mmm -70.68 -42.56 70.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.657 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1311 ' ' SER . . . . . 0.631 ' HA ' ' HG2' ' A' 1314 ' ' LYS . 50.0 m -66.3 -35.4 80.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.121 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 5.7 p -69.95 -36.12 75.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.252 0.549 . . . . 0.0 110.039 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.406 ' O ' ' HG ' ' A' 1317 ' ' LEU . 70.6 m -61.0 -51.71 68.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.545 174.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.631 ' HG2' ' HA ' ' A' 1311 ' ' SER . 16.2 ptpt -72.07 -25.79 61.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.925 -176.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.574 HD22 ' HA ' ' A' 1339 ' ' ALA . 18.9 tp -63.05 -49.54 74.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 173.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.583 ' O ' ' HE2' ' A' 1320 ' ' LYS . 69.9 mt -61.88 -34.81 76.69 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.833 -177.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' 1313 ' ' SER . 92.9 mt -54.37 -42.29 70.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 110.67 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.77 88.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.593 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1319 ' ' ALA . . . . . 0.454 ' HA ' HD12 ' A' 1335 ' ' LEU . . . -60.83 -41.19 95.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.602 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1320 ' ' LYS . . . . . 0.583 ' HE2' ' O ' ' A' 1316 ' ' LEU . 43.4 mmtt -59.69 -52.43 65.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.32 93.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.56 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.963 ' HG ' ' HB3' ' A' 1331 ' ' LEU . 0.7 OUTLIER -72.21 -32.93 67.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.943 -176.22 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 60.9 p -70.2 -28.9 65.66 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.915 -0.491 . . . . 0.0 110.609 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 12.4 p -83.87 -34.65 24.54 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.869 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -132.49 94.92 21.38 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.931 0.395 . . . . 0.0 110.301 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1326 ' ' PRO . . . . . 0.597 ' HA ' HD23 ' A' 1322 ' ' LEU . 69.6 Cg_endo -91.67 18.13 1.23 Allowed 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 122.627 2.218 . . . . 0.0 112.047 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -101.11 -18.19 16.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.94 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.1 m -80.54 114.37 47.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.87 -31.49 47.52 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.581 2.187 . . . . 0.0 111.47 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 39.4 t30 -62.14 -34.73 76.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.109 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1331 ' ' LEU . . . . . 0.963 ' HB3' ' HG ' ' A' 1322 ' ' LEU . 6.9 mp -68.09 -41.05 82.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.673 ' HG3' ' HB3' ' A' 1260 ' ' SER . 2.3 mptm? -61.05 -48.74 80.38 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.697 0.284 . . . . 0.0 110.46 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 18.6 t -63.36 -38.62 91.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.169 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -59.92 -53.83 53.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.723 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1335 ' ' LEU . . . . . 0.783 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.6 tt -60.14 -48.47 81.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.536 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -57.53 -37.97 73.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.75 0.309 . . . . 0.0 111.624 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.17 -48.5 67.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.753 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.97 -35.48 78.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.092 -179.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1339 ' ' ALA . . . . . 0.574 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.84 -44.62 96.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.927 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1340 ' ' ARG . . . . . 0.85 ' HE ' ' HA ' ' A' 1340 ' ' ARG . 1.3 mmp_? -67.82 -32.51 73.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.299 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.4 99.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.33 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' 1338 ' ' ALA . 95.7 t -61.31 -51.65 70.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.2 176.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 33.9 m -56.76 -45.52 82.0 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.32 -41.7 98.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.823 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 21.1 m -65.85 -38.57 89.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.561 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.489 ' O ' HG12 ' A' 1350 ' ' ILE . 87.6 mt -59.24 -52.02 65.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.903 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -55.33 -50.07 70.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -59.55 -41.31 89.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.988 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.802 HD23 ' HB2' ' A' 1304 ' ' ASN . 2.7 tm? -63.86 -47.39 80.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' 1346 ' ' ILE . 39.8 mm -65.75 -42.57 92.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.877 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 41.3 m -61.01 -41.29 96.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 18.3 tpt -70.57 -32.23 69.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.432 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 69.4 m . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.785 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 N--CA 1.46 0.069 0 CA-C-O 120.709 0.29 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -36.53 84.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.244 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.621 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 2.0 t -79.54 -35.77 17.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.992 0.425 . . . . 0.0 109.87 -177.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.73 -37.61 82.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.269 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 62.5 t30 -64.53 -39.92 94.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.07 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.19 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.5 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1213 ' ' LEU . . . . . 0.63 HD21 ' HB2' ' A' 1316 ' ' LEU . 46.7 mt -63.64 -35.37 80.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.073 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1214 ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' 1214 ' ' ARG . 23.2 ttp85 -62.87 -39.1 93.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.049 177.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -69.91 -42.96 72.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.513 HG13 ' CE2' ' A' 1278 ' ' PHE . 96.5 t -64.23 -47.41 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.139 0.495 . . . . 0.0 110.323 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.56 -34.0 88.74 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.975 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.01 -47.43 83.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1219 ' ' ALA . . . . . 0.659 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -64.61 -37.41 87.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 40.9 t -61.56 -47.8 83.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.028 0.442 . . . . 0.0 110.224 175.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 24.1 tptm -65.59 -35.98 82.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.27 0.557 . . . . 0.0 110.91 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -76.3 -41.15 49.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.691 -174.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.871 ' HB3' HG21 ' A' 1286 ' ' VAL . 58.4 mt -107.15 -40.3 5.47 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -168.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 121.174 0.512 . . . . 0.0 110.994 -174.881 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.021 0.439 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -60.59 -48.39 82.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.013 178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -75.64 -30.02 59.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.454 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -58.68 -55.84 29.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.187 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 19.4 m -61.18 -38.07 85.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.476 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -65.96 -44.7 84.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.356 -175.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.17 -45.59 92.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.664 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -60.18 -47.61 85.23 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.705 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -43.9 97.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.731 0.301 . . . . 0.0 111.228 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1245 ' ' ALA . . . . . 0.553 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -69.52 -36.29 76.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.136 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -58.35 -51.82 68.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.292 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.42 -32.89 72.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.023 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -67.76 -47.97 58.18 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.124 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1249 ' ' LEU . . . . . 0.476 HD12 ' HB3' ' A' 1252 ' ' ALA . 31.2 tp -69.65 -27.18 64.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.613 0.244 . . . . 0.0 110.854 -178.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -57.28 -43.87 83.49 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.856 0.36 . . . . 0.0 110.428 175.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.602 ' O ' ' HB ' ' A' 1254 ' ' THR . 44.4 tp60 -74.18 -35.43 63.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.601 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1252 ' ' ALA . . . . . 0.476 ' HB3' HD12 ' A' 1249 ' ' LEU . . . -61.16 -41.21 96.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.698 0.285 . . . . 0.0 110.921 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.66 -37.62 85.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.387 0.613 . . . . 0.0 109.787 173.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1254 ' ' THR . . . . . 0.602 ' HB ' ' O ' ' A' 1251 ' ' GLN . 25.6 m -56.8 -39.83 74.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.303 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' 1251 ' ' GLN . 18.1 mm-40 -58.29 -41.12 83.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.123 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.537 ' HB3' HD21 ' A' 1335 ' ' LEU . 22.9 mt -64.22 -40.37 95.91 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.564 0.221 . . . . 0.0 110.596 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 44.8 t -60.57 -45.21 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.938 0.399 . . . . 0.0 110.425 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1258 ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' 1254 ' ' THR . 25.6 mm-40 -65.45 -42.81 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.206 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -62.28 -32.66 73.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.364 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1260 ' ' SER . . . . . . . . . . . . . 48.9 m -61.67 -28.62 69.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.183 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -102.28 13.86 33.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.272 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.47 -94.05 1.3 Allowed Glycine 0 N--CA 1.441 -1.019 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.936 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 14.3 p -136.85 156.15 76.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.455 0.169 . . . . 0.0 110.738 -174.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1264 ' ' PRO . . . . . 0.594 ' HA ' HD12 ' A' 1267 ' ' LEU . 24.2 Cg_exo -65.03 -26.87 58.03 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.581 2.187 . . . . 0.0 111.553 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -73.71 -38.19 64.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.56 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.37 -36.13 82.08 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' 1264 ' ' PRO . 55.1 mt -57.19 -50.71 71.99 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.818 173.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.11 92.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.122 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -63.82 -40.94 97.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.293 0.568 . . . . 0.0 110.2 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -65.41 -27.41 68.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.121 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1271 ' ' SER . . . . . 0.496 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 19.8 m -62.21 -46.52 88.52 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.823 0.344 . . . . 0.0 110.618 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1272 ' ' GLY . . . . . 0.522 ' O ' ' HG2' ' A' 1276 ' ' GLN . . . -69.0 -43.76 71.1 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.159 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -61.72 -32.75 73.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.303 -0.448 . . . . 0.0 111.347 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1274 ' ' PHE . . . . . 0.436 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 92.2 t80 -76.22 -48.71 19.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.653 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.05 -41.11 99.67 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.184 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1276 ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' 1272 ' ' GLY . 12.6 pt20 -64.25 -45.14 89.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.059 0.456 . . . . 0.0 111.229 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.96 -38.18 85.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.376 -177.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' 1309 ' ' SER . 62.1 t80 -54.32 -42.18 69.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.342 178.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 7.6 t -60.15 -42.83 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 24.2 m -57.69 -40.95 80.63 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.842 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1281 ' ' PHE . . . . . 0.553 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 85.7 t80 -71.13 -51.54 24.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.268 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.659 HD23 ' HB1' ' A' 1219 ' ' ALA . 31.5 tp -62.2 -43.93 97.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.364 -174.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.31 -31.28 71.12 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.825 0.345 . . . . 0.0 111.051 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -72.43 -38.16 68.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1285 ' ' GLY . . . . . 0.469 ' O ' ' HG2' ' A' 1288 ' ' MET . . . -68.19 -32.99 77.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.137 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' 1223 ' ' LEU . 56.8 t -72.16 -26.28 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.121 0.486 . . . . 0.0 110.346 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -62.13 -43.53 98.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.817 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.751 ' O ' ' HG2' ' A' 1291 ' ' GLN . 17.2 ptm -76.72 -23.68 53.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.726 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1289 ' ' ALA . . . . . 0.458 ' HA ' HG11 ' A' 1301 ' ' VAL . . . -62.3 -24.89 67.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.233 0.54 . . . . 0.0 109.988 172.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -76.63 -40.96 25.65 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.683 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.751 ' HG2' ' O ' ' A' 1288 ' ' MET . 2.3 pt20 -63.15 -24.4 67.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.702 0.251 . . . . 0.0 110.894 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -54.15 113.31 4.88 Favored Pre-proline 0 C--O 1.232 0.163 0 O-C-N 123.822 0.701 . . . . 0.0 111.434 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -77.03 -25.62 8.62 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.561 2.174 . . . . 0.0 112.148 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 13.9 m -114.79 145.87 41.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.79 -28.57 69.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.438 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -58.44 -45.58 88.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.29 -39.0 60.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 110.098 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.494 ' O ' HG23 ' A' 1302 ' ' VAL . 72.7 ttt180 -58.78 -51.53 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.728 178.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.24 -43.92 92.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.522 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -57.58 -53.32 59.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.441 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.614 ' O ' ' HG ' ' A' 1305 ' ' LEU . 14.5 p -64.84 -35.81 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.011 -176.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' 1298 ' ' ARG . 73.2 t -63.79 -42.26 95.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 120.429 0.157 . . . . 0.0 111.207 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.0 p -70.46 -28.0 64.66 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1304 ' ' ASN . . . . . 0.53 ' HB3' ' HG ' ' A' 1349 ' ' LEU . 14.3 m120 -66.85 -46.5 74.83 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.413 0.625 . . . . 0.0 109.358 172.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' 1301 ' ' VAL . 87.3 mt -60.48 -42.95 97.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.453 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.388 173.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.73 -53.37 44.43 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.24 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1308 ' ' ILE . . . . . 0.519 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -72.05 -36.91 58.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.229 -177.863 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1309 ' ' SER . . . . . 0.515 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 37.2 p -65.02 -45.63 84.71 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.754 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1310 ' ' MET . . . . . 0.472 ' O ' ' HD3' ' A' 1314 ' ' LYS . 49.5 mtt -67.72 -39.27 84.32 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.886 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 66.6 m -58.84 -41.29 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.378 . . . . 0.0 110.455 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 43.9 m -65.94 -38.87 89.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.467 0.651 . . . . 0.0 109.919 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.525 ' O ' ' HG ' ' A' 1317 ' ' LEU . 58.6 m -62.16 -51.59 67.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.683 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.604 ' HA ' HD12 ' A' 1317 ' ' LEU . 0.2 OUTLIER -61.46 -33.68 74.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.769 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 34.9 tp -61.83 -51.34 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.71 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.63 ' HB2' HD21 ' A' 1213 ' ' LEU . 99.4 mt -65.72 -30.1 70.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.067 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' 1314 ' ' LYS . 94.6 mt -59.1 -42.67 91.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.78 0.324 . . . . 0.0 110.342 175.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -68.71 -35.37 77.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.237 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.12 92.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.156 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1320 ' ' LYS . . . . . 0.621 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 46.6 mtmt -58.26 -50.78 72.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.263 0.554 . . . . 0.0 110.169 176.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.5 98.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.823 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.691 HD11 ' HD2' ' A' 1332 ' ' LYS . 28.0 tp -71.24 -31.39 67.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.728 -175.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 37.7 m -74.98 -19.97 59.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.979 0.419 . . . . 0.0 110.781 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 22.7 p -108.04 -4.12 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.139 0.495 . . . . 0.0 111.049 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -151.91 78.22 6.75 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.566 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -92.93 5.57 3.17 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.041 2.494 . . . . 0.0 114.198 -171.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -101.33 13.9 33.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 0.0 111.215 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 42.8 m -108.5 105.16 56.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.615 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.43 -37.84 96.16 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.307 2.671 . . . . 0.0 113.015 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -76.64 -17.63 59.05 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.292 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 16.8 tp -73.02 -31.36 64.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.691 ' HD2' HD11 ' A' 1322 ' ' LEU . 1.9 mptp? -63.18 -47.82 80.99 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 170.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 15.1 m -61.62 -41.64 97.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.289 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -62.56 -44.98 94.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.615 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1335 ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.3 tt -61.62 -45.76 92.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1336 ' ' ALA . . . . . 0.663 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -58.54 -41.3 85.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.772 178.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.33 91.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.867 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.63 -36.04 82.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.598 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.55 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1340 ' ' ARG . . . . . 0.663 ' HG2' ' O ' ' A' 1336 ' ' ALA . 28.3 mmt180 -68.43 -33.96 75.13 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.73 79.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.867 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' 1338 ' ' ALA . 95.0 t -62.88 -52.62 57.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 176.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 74.1 m -62.05 -38.44 88.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.675 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1344 ' ' ASP . . . . . 0.602 ' O ' ' HG2' ' A' 1348 ' ' GLN . 14.4 t70 -57.13 -50.62 72.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.809 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 17.5 m -64.56 -35.69 81.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.47 ' O ' HG12 ' A' 1350 ' ' ILE . 85.5 mt -59.89 -48.37 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.24 -40.94 97.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.062 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1348 ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' 1344 ' ' ASP . 75.5 mm-40 -55.42 -35.96 65.95 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.612 178.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.53 ' HG ' ' HB3' ' A' 1304 ' ' ASN . 5.7 mt -69.82 -57.48 5.03 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.106 176.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' 1346 ' ' ILE . 48.8 mm -55.2 -43.03 68.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.467 -175.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 85.9 m -56.25 -39.18 72.18 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.556 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 25.3 mmt -81.02 -39.28 26.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.063 0.458 . . . . 0.0 110.908 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 60.0 m . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.485 -172.276 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.384 0.135 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -63.88 -36.06 82.7 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.542 HG23 ' HD2' ' A' 1320 ' ' LYS . 29.7 m -72.4 -28.88 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.405 0.622 . . . . 0.0 110.009 -175.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.21 -38.99 21.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.695 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 52.0 t30 -64.83 -34.66 78.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.648 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.75 78.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.74 -33.64 76.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 110.778 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1214 ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' 1214 ' ' ARG . 14.3 ttp180 -64.88 -37.38 87.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.096 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.0 78.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.501 ' HA ' ' CE2' ' A' 1278 ' ' PHE . 95.9 t -63.84 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -68.48 -48.33 51.72 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.715 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -56.59 -52.06 66.26 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 122.348 0.259 . . . . 0.0 110.919 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1219 ' ' ALA . . . . . 0.499 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -56.82 -48.38 78.13 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.995 -177.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 25.0 t -60.36 -51.62 68.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.836 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -72.73 -38.26 67.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -174.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -73.11 -33.81 65.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.775 0.321 . . . . 0.0 111.123 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.772 ' HB3' HG21 ' A' 1286 ' ' VAL . 90.7 mt -89.62 -62.83 1.39 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.636 -176.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1224 ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' 1224 ' ' LEU . 1.2 pp . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 121.323 0.582 . . . . 0.0 111.511 -175.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 120.814 0.34 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -66.2 -54.42 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.215 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -75.24 -40.67 58.79 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -174.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.62 -50.31 65.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.36 -177.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 20.2 m -66.27 -40.33 90.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.639 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -66.14 -38.47 88.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.875 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1242 ' ' LEU . . . . . 0.536 HD22 ' HB1' ' A' 1284 ' ' ALA . 1.9 mm? -54.77 -39.81 68.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.162 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -70.36 -46.35 64.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -175.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -47.48 81.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.069 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -65.48 -36.88 85.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.85 90.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.094 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.5 97.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.324 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.63 -38.54 96.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.214 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1249 ' ' LEU . . . . . 0.462 HD21 HD11 ' A' 1308 ' ' ILE . 29.9 tp -77.33 -32.96 55.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.681 0.277 . . . . 0.0 110.585 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -57.7 -51.98 67.33 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.454 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' A' 1255 ' ' GLU . 21.6 tt0 -66.56 -32.91 74.55 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.635 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1252 ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -58.75 -41.56 86.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.946 0.403 . . . . 0.0 110.719 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.41 90.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.207 0.527 . . . . 0.0 110.063 175.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 78.1 m -59.19 -44.26 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.034 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' 1251 ' ' GLN . 43.3 mt-10 -65.02 -35.29 80.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.654 ' HB3' HD21 ' A' 1335 ' ' LEU . 13.7 mt -59.88 -43.13 94.91 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.687 0.279 . . . . 0.0 110.349 173.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 74.2 t -61.77 -43.62 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.724 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1258 ' ' GLN . . . . . 0.451 ' HA ' ' OE1' ' A' 1258 ' ' GLN . 12.8 mm-40 -66.05 -45.97 79.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.604 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.13 74.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.109 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1260 ' ' SER . . . . . . . . . . . . . 70.9 m -52.93 -38.97 62.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.966 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -107.32 25.21 11.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.653 0.263 . . . . 0.0 111.315 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.44 -83.36 0.61 Allowed Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 55.7 p -139.83 144.86 40.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1264 ' ' PRO . . . . . 0.559 ' HA ' HD23 ' A' 1267 ' ' LEU . 49.8 Cg_exo -57.45 -30.4 87.97 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.622 2.215 . . . . 0.0 111.841 175.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -69.2 -31.24 69.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.019 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.76 -33.83 74.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.471 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' 1264 ' ' PRO . 3.7 mm? -53.0 -39.6 63.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.454 174.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -64.37 -45.98 85.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.967 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -57.99 -44.12 86.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.429 0.633 . . . . 0.0 109.503 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -67.82 -39.33 83.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.836 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1271 ' ' SER . . . . . 0.412 ' OG ' HG12 ' A' 1209 ' ' VAL . 49.8 m -62.19 -43.32 99.09 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.555 -177.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.57 -44.98 96.35 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.155 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -65.69 -49.54 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.703 0.287 . . . . 0.0 111.136 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1274 ' ' PHE . . . . . 0.626 ' CZ ' HD23 ' A' 1315 ' ' LEU . 39.7 t80 -58.05 -40.65 81.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.258 -175.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -73.57 -34.23 57.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.446 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -73.51 -51.92 15.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.632 0.253 . . . . 0.0 111.206 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -63.76 -26.79 68.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.871 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.642 ' CE1' ' HA ' ' A' 1309 ' ' SER . 84.4 t80 -58.09 -50.15 74.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.358 175.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 10.7 m -56.35 -46.9 79.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 11.2 m -57.4 -46.17 83.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.005 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 91.0 t80 -66.88 -46.26 75.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.499 HD23 ' HB1' ' A' 1219 ' ' ALA . 23.0 tp -66.35 -38.53 87.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -176.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1283 ' ' GLU . . . . . 0.445 ' HG2' HD21 ' A' 1223 ' ' LEU . 48.4 mt-10 -62.95 -38.65 91.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.813 0.34 . . . . 0.0 110.688 176.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1284 ' ' ALA . . . . . 0.536 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -66.77 -33.9 76.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.103 176.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.38 -39.92 97.92 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.686 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.772 HG21 ' HB3' ' A' 1223 ' ' LEU . 47.1 t -67.32 -39.15 82.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.05 0.453 . . . . 0.0 110.019 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.34 -47.59 81.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.945 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.67 ' O ' ' HG2' ' A' 1291 ' ' GLN . 5.0 ptm -73.87 -24.97 59.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.183 0.516 . . . . 0.0 110.508 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1289 ' ' ALA . . . . . 0.734 ' HB1' ' HG3' ' A' 1298 ' ' ARG . . . -70.65 -8.15 49.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.401 0.62 . . . . 0.0 109.899 173.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -88.89 -35.89 8.05 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.103 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' 1288 ' ' MET . 20.8 pt20 -70.66 -20.91 62.66 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1292 ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -59.42 117.21 20.31 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.273 176.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1293 ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.0 Cg_exo -72.88 -16.8 25.91 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.984 2.456 . . . . 0.0 112.449 -175.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 19.2 m -121.59 142.66 49.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.25 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -66.7 -40.18 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.998 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.9 -40.24 94.78 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.43 -41.25 89.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.835 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.734 ' HG3' ' HB1' ' A' 1289 ' ' ALA . 12.7 ttp180 -64.71 -37.88 89.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.622 176.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -62.17 -37.8 86.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.977 0.417 . . . . 0.0 110.366 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -59.79 -51.78 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.249 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.593 ' O ' ' HG ' ' A' 1305 ' ' LEU . 6.9 p -67.54 -35.46 73.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.195 -177.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' 1298 ' ' ARG . 53.0 t -61.76 -39.83 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.721 0.296 . . . . 0.0 110.877 177.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 43.9 t -63.03 -41.15 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.777 0.322 . . . . 0.0 110.353 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1304 ' ' ASN . . . . . 0.523 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 34.7 m-20 -62.03 -39.8 93.54 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.334 0.588 . . . . 0.0 109.647 177.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.3 mt -64.57 -38.87 92.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.627 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -61.42 -38.41 87.03 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.59 -52.32 51.06 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.047 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1308 ' ' ILE . . . . . 0.462 HD11 HD21 ' A' 1249 ' ' LEU . 0.0 OUTLIER -71.62 -35.34 55.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.859 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1309 ' ' SER . . . . . 0.642 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 66.3 m -60.9 -49.87 75.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.929 0.395 . . . . 0.0 110.827 177.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1310 ' ' MET . . . . . 0.406 ' O ' ' HG3' ' A' 1314 ' ' LYS . 9.3 mmt -62.22 -46.28 89.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.866 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1311 ' ' SER . . . . . 0.413 ' C ' HG22 ' A' 1342 ' ' VAL . 42.0 m -59.49 -41.26 89.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.636 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 39.0 t -63.32 -49.34 74.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.398 0.618 . . . . 0.0 110.014 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.412 ' O ' ' HG ' ' A' 1317 ' ' LEU . 42.2 t -52.09 -52.61 50.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.212 177.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' 1317 ' ' LEU . 62.5 mttm -73.52 -24.78 60.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.562 -174.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.626 HD23 ' CZ ' ' A' 1274 ' ' PHE . 38.0 tp -66.28 -42.96 87.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.138 0.494 . . . . 0.0 109.668 173.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1316 ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.08 -33.8 76.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.729 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' 1314 ' ' LYS . 90.6 mt -59.36 -30.64 68.54 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.718 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.95 -40.99 75.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.214 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.99 76.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1320 ' ' LYS . . . . . 0.542 ' HD2' HG23 ' A' 1209 ' ' VAL . 19.0 mmmt -51.12 -56.34 13.22 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.547 175.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -73.12 -32.35 64.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.035 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' 1332 ' ' LYS . 30.4 tp -68.01 -24.19 65.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.196 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 16.5 t -74.82 -41.06 60.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 5.5 m -69.84 -46.05 66.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.211 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -119.56 91.31 44.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -92.43 6.84 3.18 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.824 2.349 . . . . 0.0 113.077 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -107.0 7.91 30.12 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 5.0 p -105.92 108.15 61.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.768 0.318 . . . . 0.0 111.169 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -56.98 -35.62 98.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.887 2.391 . . . . 0.0 112.448 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 10.2 t30 -67.93 -29.39 68.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.847 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1331 ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' 1331 ' ' LEU . 14.5 tp -70.84 -34.75 71.99 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.587 ' HD2' HD11 ' A' 1322 ' ' LEU . 3.1 mptp? -64.04 -46.15 85.69 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.349 0.595 . . . . 0.0 109.495 172.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 23.1 t -63.32 -39.06 93.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.807 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.23 -37.86 88.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.671 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1335 ' ' LEU . . . . . 0.654 HD21 ' HB3' ' A' 1256 ' ' LEU . 10.2 tt -67.56 -47.15 70.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1336 ' ' ALA . . . . . 0.618 ' O ' ' HD3' ' A' 1340 ' ' ARG . . . -56.98 -40.13 75.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.993 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -63.74 -43.49 96.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.72 -33.53 75.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.857 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1339 ' ' ALA . . . . . 0.532 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.96 -36.92 82.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1340 ' ' ARG . . . . . 0.618 ' HD3' ' O ' ' A' 1336 ' ' ALA . 6.4 mpt_? -65.74 -36.83 84.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.234 176.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.02 91.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.764 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' 1346 ' ' ILE . 48.4 t -64.23 -52.21 58.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.334 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.7 m -60.84 -33.77 73.55 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.773 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -58.11 -58.2 9.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.339 176.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1345 ' ' SER . . . . . 0.443 ' CB ' ' HB ' ' A' 1308 ' ' ILE . 51.1 m -60.34 -35.29 75.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.396 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.546 ' O ' HG12 ' A' 1350 ' ' ILE . 93.2 mt -62.31 -55.45 23.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 3.1 p30 -75.71 -29.19 58.88 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.292 -172.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -71.75 -35.08 70.0 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.65 178.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.97 -47.13 87.09 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' 1346 ' ' ILE . 35.1 mm -64.39 -36.97 78.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.953 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 92.8 m -62.58 -42.13 99.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 111.064 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 86.6 mtp -72.28 -49.9 31.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.057 0.456 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 70.1 m . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.366 -173.426 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 . . . . . 0 N--CA 1.463 0.195 0 CA-C-O 121.485 0.66 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.23 -46.44 54.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.653 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1209 ' ' VAL . . . . . . . . . . . . . 29.2 m -63.9 -30.05 48.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 121.062 0.458 . . . . 0.0 110.818 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.81 -41.67 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.158 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.36 -36.8 81.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.228 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1212 ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' 1216 ' ' VAL . . . -59.25 -49.32 78.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.27 176.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1213 ' ' LEU . . . . . 0.495 HD21 ' HB2' ' A' 1316 ' ' LEU . 33.2 mt -64.16 -38.85 92.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.755 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -57.85 -45.91 85.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.232 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.76 79.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' 1212 ' ' ALA . 96.6 t -58.92 -42.66 86.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.795 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.29 -46.79 92.13 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.42 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -64.45 -43.49 94.12 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.667 0.27 . . . . 0.0 110.63 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1219 ' ' ALA . . . . . 0.661 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -62.18 -50.96 69.73 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.608 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1220 ' ' SER . . . . . 0.401 ' O ' HD23 ' A' 1224 ' ' LEU . 41.6 m -62.29 -40.92 97.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.837 0.351 . . . . 0.0 111.178 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 83.8 tttt -67.72 -45.22 75.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.056 0.455 . . . . 0.0 110.846 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 37.8 ttp-105 -78.29 -50.36 11.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.742 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.516 ' O ' HG21 ' A' 1286 ' ' VAL . 97.2 mt -81.25 -10.78 59.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -168.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1224 ' ' LEU . . . . . 0.463 HD22 ' HA ' ' A' 1224 ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.209 0.528 . . . . 0.0 109.863 170.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 52.4 tt0 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.937 0.398 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.18 -42.72 99.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.965 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.53 71.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.008 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.1 -46.34 87.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 32.5 p -65.65 -36.73 84.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.003 0.43 . . . . 0.0 110.337 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 17.2 ttp-105 -69.11 -40.91 78.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.419 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1242 ' ' LEU . . . . . 0.549 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 37.0 tp -61.63 -44.17 97.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.156 174.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -57.98 -43.54 86.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.236 177.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.58 -48.04 79.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.29 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1245 ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -63.89 -36.48 84.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.03 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -62.02 -49.14 77.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.23 -38.69 80.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.436 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.39 -47.88 74.62 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.21 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1249 ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' 1252 ' ' ALA . 33.6 tp -69.48 -32.66 71.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.654 0.264 . . . . 0.0 110.823 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1250 ' ' ASN . . . . . 0.409 ' OD1' HG23 ' A' 1343 ' ' THR . 64.3 m-20 -57.69 -44.73 86.02 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.054 0.454 . . . . 0.0 109.986 173.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' A' 1255 ' ' GLU . 24.4 tt0 -69.62 -37.21 76.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.24 177.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1252 ' ' ALA . . . . . 0.847 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -58.32 -44.46 88.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.946 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1253 ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' 1257 ' ' VAL . . . -64.69 -39.19 93.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.946 175.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1254 ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' 1251 ' ' GLN . 98.9 m -58.56 -46.82 86.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.805 176.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' 1251 ' ' GLN . 10.3 mm-40 -55.28 -47.77 75.03 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.384 176.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.555 ' HA ' ' HB1' ' A' 1270 ' ' ALA . 19.0 tp -62.14 -44.56 96.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.571 -178.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1257 ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' 1253 ' ' ALA . 98.9 t -57.24 -51.92 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 120.671 0.272 . . . . 0.0 111.007 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.81 -44.4 96.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.958 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -66.7 -36.5 82.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.86 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1260 ' ' SER . . . . . . . . . . . . . 48.7 m -68.29 -19.4 64.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.065 0.46 . . . . 0.0 111.536 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -101.7 11.74 38.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.086 0.469 . . . . 0.0 109.908 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.14 -93.53 1.11 Allowed Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.111 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 15.5 p -133.21 155.16 81.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.539 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -57.13 -33.45 95.86 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.232 2.622 . . . . 0.0 112.077 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -70.88 -42.8 69.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.049 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -70.81 -36.96 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 63.5 tp -55.47 -42.42 74.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.759 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.04 75.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -58.82 -41.31 86.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 109.851 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1270 ' ' ALA . . . . . 0.555 ' HB1' ' HA ' ' A' 1256 ' ' LEU . . . -63.73 -35.59 81.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.445 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 22.2 m -61.88 -47.7 83.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.408 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -66.42 -37.58 92.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.638 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1273 ' ' ARG . . . . . 0.459 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 12.4 tpp180 -55.51 -57.84 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 110.732 174.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1274 ' ' PHE . . . . . 0.847 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 71.9 t80 -60.92 -45.92 92.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.525 -174.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.57 -34.29 89.07 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.516 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -70.24 -50.59 38.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.736 0.303 . . . . 0.0 110.603 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.25 -32.28 73.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.17 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.628 ' HE1' ' HA ' ' A' 1309 ' ' SER . 81.7 t80 -59.97 -46.12 90.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.802 176.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1279 ' ' SER . . . . . 0.524 ' O ' ' HG3' ' A' 1283 ' ' GLU . 22.8 t -58.05 -49.67 76.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.21 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 23.3 m -59.42 -42.41 91.76 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.029 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1281 ' ' PHE . . . . . 0.551 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 76.9 t80 -62.2 -48.76 78.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.855 178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.661 HD23 ' HB1' ' A' 1219 ' ' ALA . 24.2 tp -64.29 -38.94 92.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.987 -176.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1283 ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' 1279 ' ' SER . 44.1 mt-10 -60.53 -41.2 93.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.7 0.286 . . . . 0.0 110.898 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -75.91 -38.63 57.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.957 0.408 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.11 -46.84 93.17 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.556 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.516 HG21 ' O ' ' A' 1223 ' ' LEU . 7.6 p -74.1 -24.04 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 122.575 -0.368 . . . . 0.0 110.62 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1287 ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' 1291 ' ' GLN . 38.6 tt0 -58.41 -49.78 76.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.137 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1288 ' ' MET . . . . . . . . . . . . . 22.2 ptm -72.76 -26.86 61.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 110.414 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1289 ' ' ALA . . . . . 0.453 ' HA ' HG11 ' A' 1301 ' ' VAL . . . -65.11 -29.01 69.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -82.36 -10.27 83.81 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.318 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' 1287 ' ' GLU . 46.9 mm-40 -93.22 -7.57 44.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 110.23 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -67.39 119.3 64.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.317 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -69.01 -31.9 22.83 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.916 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1294 ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' A' 1297 ' ' ASP . 22.8 m -101.19 134.48 44.16 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.307 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -60.54 -39.53 88.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.113 0.482 . . . . 0.0 110.067 178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.96 -29.92 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.323 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1297 ' ' ASP . . . . . 0.48 ' HB2' ' HB2' ' A' 1294 ' ' SER . 11.8 t70 -74.7 -36.99 62.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.657 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' 1302 ' ' VAL . 50.2 ttt180 -64.75 -41.54 95.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.043 176.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -55.65 -35.7 66.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.033 0.444 . . . . 0.0 110.779 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1300 ' ' GLN . . . . . 0.446 ' HB3' ' O ' ' A' 1297 ' ' ASP . 27.4 tt0 -59.96 -50.62 73.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.83 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.453 HG11 ' HA ' ' A' 1289 ' ' ALA . 7.7 p -76.52 -30.44 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.998 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.513 ' HA ' HD12 ' A' 1305 ' ' LEU . 61.5 t -63.99 -35.19 72.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 120.758 0.313 . . . . 0.0 110.244 175.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 69.8 m -60.53 -41.88 95.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.946 0.403 . . . . 0.0 110.352 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1304 ' ' ASN . . . . . 0.686 ' HB3' ' HG ' ' A' 1349 ' ' LEU . 7.5 m120 -63.93 -45.39 89.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.613 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.541 HD23 HD11 ' A' 1349 ' ' LEU . 93.2 mt -58.47 -51.38 70.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.025 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -58.57 -45.73 88.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.738 0.304 . . . . 0.0 110.711 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -55.07 -50.8 57.7 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.588 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1308 ' ' ILE . . . . . 0.462 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -74.28 -39.59 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.893 -178.249 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1309 ' ' SER . . . . . 0.628 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 49.0 m -62.01 -50.16 73.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.63 0.252 . . . . 0.0 111.181 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1310 ' ' MET . . . . . . . . . . . . . 54.2 mtt -64.64 -40.03 94.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.885 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1311 ' ' SER . . . . . 0.548 ' HA ' ' HD2' ' A' 1314 ' ' LYS . 51.4 m -63.46 -35.03 79.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.623 0.249 . . . . 0.0 110.839 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 62.2 m -65.5 -40.53 93.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.526 0.679 . . . . 0.0 110.135 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.573 ' O ' ' HG ' ' A' 1317 ' ' LEU . 45.5 t -59.99 -52.78 63.9 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.229 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.548 ' HD2' ' HA ' ' A' 1311 ' ' SER . 51.1 mttm -57.42 -39.86 77.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.109 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' 1339 ' ' ALA . 34.8 tp -59.45 -48.09 82.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.009 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.495 ' HB2' HD21 ' A' 1213 ' ' LEU . 96.2 mt -70.28 -26.73 63.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.484 -177.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' 1313 ' ' SER . 94.0 mt -59.51 -41.72 90.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.978 0.418 . . . . 0.0 109.912 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.03 -38.57 75.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.687 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.98 99.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -58.4 -47.98 82.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.348 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.36 68.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.0 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' 1325 ' ' ASP . 28.8 tp -76.63 -26.28 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.306 -177.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 98.4 p -74.21 -23.85 59.25 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.382 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 11.2 t -95.14 -26.29 16.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1325 ' ' ASP . . . . . 0.447 ' O ' HD12 ' A' 1322 ' ' LEU . 12.0 t70 -134.02 90.69 25.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.304 175.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -91.01 19.69 1.08 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.755 2.303 . . . . 0.0 112.287 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -104.16 -45.39 4.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.738 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1328 ' ' SER . . . . . 0.412 ' HA ' ' HD2' ' A' 1329 ' ' PRO . 42.4 m -59.16 113.41 6.83 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.985 -174.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1329 ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' 1328 ' ' SER . 30.7 Cg_endo -64.66 -32.18 58.09 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.68 2.254 . . . . 0.0 111.746 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 46.8 t30 -60.51 -38.71 85.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.159 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 17.3 tp -68.27 -37.27 80.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.29 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.44 ' HD2' HD11 ' A' 1322 ' ' LEU . 5.0 mptp? -61.23 -50.04 74.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.963 0.411 . . . . 0.0 110.28 173.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 13.2 t -63.7 -39.2 93.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.832 -177.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -61.62 -47.78 83.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.83 0.348 . . . . 0.0 110.494 177.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.19 -47.71 84.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.937 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.39 -39.68 80.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.79 -42.84 80.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.023 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' 1342 ' ' VAL . . . -66.63 -39.09 88.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.764 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1339 ' ' ALA . . . . . 0.562 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.35 -42.18 98.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.671 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -62.44 -38.9 91.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.082 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.96 91.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.562 ' O ' HG13 ' A' 1346 ' ' ILE . 91.8 t -62.78 -52.43 59.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.076 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1343 ' ' THR . . . . . 0.475 ' HA ' HD12 ' A' 1346 ' ' ILE . 79.3 m -60.17 -38.56 83.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.58 -42.96 89.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.805 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 18.5 m -73.92 -34.58 64.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.897 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' 1342 ' ' VAL . 95.3 mt -59.36 -54.86 28.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.817 0.342 . . . . 0.0 110.821 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 8.9 p30 -70.68 -28.37 64.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.278 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.64 -44.13 96.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.086 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.686 ' HG ' ' HB3' ' A' 1304 ' ' ASN . 2.3 tt -62.04 -48.33 80.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.549 ' CD1' ' HG ' ' A' 1242 ' ' LEU . 43.2 mm -61.37 -55.39 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.077 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 33.3 m -61.86 -38.54 88.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.917 -175.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 27.4 ttt -74.05 -33.82 63.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.772 0.32 . . . . 0.0 111.178 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1353 ' ' CYS . . . . . 0.488 ' SG ' HD23 ' A' 1349 ' ' LEU . 93.2 m . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 . . . . . 0 C--O 1.224 -0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.2 -24.06 64.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -173.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.481 ' O ' ' HG ' ' A' 1213 ' ' LEU . 10.6 m -81.33 -29.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 119.806 -0.757 . . . . 0.0 109.493 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 20.3 t70 -82.64 -41.53 19.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.584 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -63.65 -38.17 90.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.827 178.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1212 ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' 1216 ' ' VAL . . . -60.18 -45.63 92.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.191 176.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1213 ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' 1316 ' ' LEU . 61.7 mt -61.95 -38.29 87.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.738 177.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1214 ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' 1214 ' ' ARG . 0.0 OUTLIER -59.79 -48.14 82.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.997 177.872 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.57 77.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.194 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.476 HG13 ' CE2' ' A' 1278 ' ' PHE . 89.9 t -63.15 -54.38 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.45 -43.83 96.14 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.975 -0.557 . . . . 0.0 113.033 -174.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.01 -46.58 77.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.715 0.293 . . . . 0.0 111.392 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.44 91.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.537 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1220 ' ' SER . . . . . 0.595 ' HA ' HD21 ' A' 1282 ' ' LEU . 30.3 t -57.05 -38.17 72.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.059 -178.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 61.7 mttp -78.84 -52.02 8.91 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1222 ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' 1222 ' ' ARG . 48.9 mtm105 -77.11 -31.95 56.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.487 ' HB3' HG21 ' A' 1286 ' ' VAL . 60.2 mt -71.06 -55.48 8.15 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.389 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1224 ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' 1224 ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 122.095 0.95 . . . . 0.0 110.957 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 46.2 tt0 . . . . . 0 N--CA 1.47 0.534 0 CA-C-O 120.61 0.243 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.1 -41.55 83.73 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.49 0.662 . . . . 0.0 109.824 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1238 ' ' ALA . . . . . 0.41 ' HB2' ' CG ' ' A' 1287 ' ' GLU . . . -74.54 -24.78 59.01 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.51 -172.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1239 ' ' GLN . . . . . 0.563 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 42.4 tt0 -71.94 -58.66 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.362 -171.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.3 m -65.26 -31.11 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.186 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -67.68 -43.96 78.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.816 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1242 ' ' LEU . . . . . 0.544 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 61.2 tp -68.21 -41.64 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.695 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -57.69 -36.69 72.29 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.195 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.3 -52.13 37.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.462 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.91 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.46 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1246 ' ' ALA . . . . . 0.643 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -56.78 -53.16 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.271 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -64.73 -37.91 89.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.852 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.31 -47.71 77.04 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.409 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 29.2 tp -70.92 -36.19 72.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.64 0.257 . . . . 0.0 110.837 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1250 ' ' ASN . . . . . 0.463 ' OD1' ' HA ' ' A' 1343 ' ' THR . 20.2 m-20 -60.81 -41.75 96.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 110.368 175.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.489 ' O ' ' HB ' ' A' 1254 ' ' THR . 24.8 tm0? -67.89 -37.69 82.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.89 177.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.26 99.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.834 0.349 . . . . 0.0 110.83 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.78 94.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.325 0.583 . . . . 0.0 109.918 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1254 ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' 1251 ' ' GLN . 94.7 m -58.52 -38.81 78.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.753 176.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' 1251 ' ' GLN . 38.3 mt-10 -63.71 -38.8 92.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.014 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.41 -33.33 75.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.579 0.228 . . . . 0.0 110.56 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 43.6 t -68.39 -42.93 84.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.071 0.462 . . . . 0.0 110.142 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1258 ' ' GLN . . . . . 0.573 ' HA ' ' CZ ' ' A' 1261 ' ' ARG . 27.3 mt-30 -66.73 -33.6 75.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.75 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -78.89 -27.6 43.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.004 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1260 ' ' SER . . . . . 0.543 ' OG ' ' HA ' ' A' 1332 ' ' LYS . 35.1 t -52.97 -55.04 26.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.826 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1261 ' ' ARG . . . . . 0.573 ' CZ ' ' HA ' ' A' 1258 ' ' GLN . 1.7 ppt_? -95.62 32.75 1.75 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.549 0.69 . . . . 0.0 110.35 176.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -119.73 -98.87 1.77 Allowed Glycine 0 N--CA 1.436 -1.341 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 80.5 p -147.89 154.89 44.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.932 0.366 . . . . 0.0 110.994 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1264 ' ' PRO . . . . . 0.697 ' HA ' HD12 ' A' 1267 ' ' LEU . 45.0 Cg_exo -58.68 -32.39 96.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.737 2.291 . . . . 0.0 111.23 173.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -61.71 -38.64 88.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.399 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.13 -32.8 38.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.194 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' 1264 ' ' PRO . 57.9 mt -55.53 -42.55 74.72 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 174.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -59.62 -51.6 69.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.133 0.492 . . . . 0.0 110.421 176.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -54.35 -47.84 72.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.457 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.74 98.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.091 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 44.4 m -56.32 -43.6 79.16 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.963 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -61.0 -47.47 91.12 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.721 -175.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -71.92 -38.97 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.546 -0.385 . . . . 0.0 110.985 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1274 ' ' PHE . . . . . 0.5 ' HD2' HD21 ' A' 1316 ' ' LEU . 67.6 t80 -60.67 -48.05 83.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.783 0.325 . . . . 0.0 110.5 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -68.3 -40.43 87.35 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.686 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -68.32 -46.62 69.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.624 0.25 . . . . 0.0 111.311 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.19 -30.0 67.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.447 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.476 ' CE2' HG13 ' A' 1216 ' ' VAL . 70.4 t80 -57.32 -38.12 73.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.622 176.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1279 ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' 1283 ' ' GLU . 8.1 t -58.93 -44.7 91.41 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 25.4 m -66.12 -41.54 90.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1281 ' ' PHE . . . . . 0.447 ' HE2' HG21 ' A' 1308 ' ' ILE . 77.8 t80 -60.45 -49.55 77.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.246 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.595 HD21 ' HA ' ' A' 1220 ' ' SER . 34.1 tp -64.09 -38.44 91.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.372 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1283 ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' 1279 ' ' SER . 43.0 mt-10 -56.24 -45.27 80.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.707 0.289 . . . . 0.0 110.772 177.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.03 77.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.123 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1285 ' ' GLY . . . . . 0.535 ' HA3' HD21 ' A' 1305 ' ' LEU . . . -67.33 -43.06 89.35 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.216 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.487 HG21 ' HB3' ' A' 1223 ' ' LEU . 21.5 t -71.37 -31.53 43.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.099 0.476 . . . . 0.0 110.093 178.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1287 ' ' GLU . . . . . 0.41 ' CG ' ' HB2' ' A' 1238 ' ' ALA . 7.7 tp10 -58.86 -47.96 83.05 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.466 175.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' 1285 ' ' GLY . 13.7 ptm -70.94 -23.78 62.3 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.416 -176.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -60.4 -19.25 55.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.946 0.403 . . . . 0.0 110.498 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -76.05 -32.51 52.59 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.484 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1291 ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -85.56 7.01 24.67 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.132 0.491 . . . . 0.0 110.786 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -100.2 105.31 35.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.472 171.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.1 -35.43 2.4 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.723 2.282 . . . . 0.0 113.25 -176.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1294 ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' 1297 ' ' ASP . 15.2 m -74.91 140.0 43.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.609 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -40.79 81.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.551 -174.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -80.11 -32.14 39.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.067 0.46 . . . . 0.0 110.236 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1297 ' ' ASP . . . . . 0.644 ' HB3' ' HB2' ' A' 1294 ' ' SER . 32.6 t70 -64.08 -40.92 97.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.568 173.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' 1302 ' ' VAL . 38.9 ttm180 -67.38 -40.05 85.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.856 175.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.29 76.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.07 -46.78 85.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.037 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.493 ' O ' ' HG ' ' A' 1305 ' ' LEU . 4.7 p -69.52 -34.75 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.829 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.572 ' HA ' HD12 ' A' 1305 ' ' LEU . 98.3 t -66.43 -32.74 59.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.982 0.42 . . . . 0.0 110.65 176.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 46.4 m -64.89 -40.13 94.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.408 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1304 ' ' ASN . . . . . 0.572 ' HB3' ' HG ' ' A' 1349 ' ' LEU . 10.6 m120 -60.18 -43.07 96.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.666 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' 1302 ' ' VAL . 94.4 mt -56.53 -51.93 66.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.871 -1.058 . . . . 0.0 111.024 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -59.51 -48.35 82.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.663 0.268 . . . . 0.0 110.34 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -50.65 -49.11 41.46 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.906 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1308 ' ' ILE . . . . . 0.447 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -78.22 -34.26 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 122.667 -0.313 . . . . 0.0 110.886 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 63.3 m -62.46 -48.18 80.78 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.959 0.409 . . . . 0.0 110.922 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1310 ' ' MET . . . . . 0.535 ' O ' ' HG3' ' A' 1314 ' ' LYS . 0.2 OUTLIER -65.34 -42.89 92.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.692 178.715 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.9 m -62.64 -38.61 90.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.796 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 42.1 t -60.99 -44.08 97.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.7 0.762 . . . . 0.0 109.217 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.603 ' O ' ' HG ' ' A' 1317 ' ' LEU . 52.3 m -60.36 -49.67 76.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.685 175.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' 1310 ' ' MET . 65.1 mttm -58.78 -39.99 82.68 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.186 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.588 HD22 ' HA ' ' A' 1339 ' ' ALA . 42.0 tp -62.49 -47.74 82.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.5 HD21 ' HD2' ' A' 1274 ' ' PHE . 80.9 mt -65.9 -30.07 70.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.921 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' 1313 ' ' SER . 91.7 mt -65.37 -39.52 92.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.34 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.09 -39.31 86.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.225 175.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.09 95.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.944 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -56.21 -52.45 64.37 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.998 0.428 . . . . 0.0 110.477 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.29 82.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.765 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.4 HD11 ' HE2' ' A' 1332 ' ' LYS . 34.4 tp -72.7 -26.52 61.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.044 0.449 . . . . 0.0 110.817 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 51.1 m -76.81 -25.92 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.956 0.408 . . . . 0.0 110.629 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 13.9 p -90.73 -30.58 16.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.087 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -131.68 74.72 77.46 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.26 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1326 ' ' PRO . . . . . 0.533 ' HB3' ' HG3' ' A' 1264 ' ' PRO . 69.2 Cg_endo -78.75 -5.9 14.95 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.579 2.186 . . . . 0.0 113.254 -174.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -97.08 10.55 39.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.839 0.352 . . . . 0.0 110.941 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 17.9 t -98.53 104.85 26.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1329 ' ' PRO . . . . . 0.563 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 27.2 Cg_exo -63.25 -27.73 72.39 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.101 2.534 . . . . 0.0 112.847 -175.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 44.3 t30 -60.94 -38.04 84.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1331 ' ' LEU . . . . . 0.491 ' HA ' ' HB3' ' A' 1334 ' ' GLN . 10.9 mp -66.67 -26.13 66.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.604 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.563 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 1.3 mptm? -63.32 -50.46 69.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.701 0.286 . . . . 0.0 110.641 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 3.8 p -74.27 -31.55 62.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.084 0.468 . . . . 0.0 110.595 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1334 ' ' GLN . . . . . 0.491 ' HB3' ' HA ' ' A' 1331 ' ' LEU . 26.8 tt0 -60.42 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.263 176.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1335 ' ' LEU . . . . . 0.485 HD22 ' HB2' ' A' 1260 ' ' SER . 9.8 tt -64.16 -43.48 95.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.029 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.48 78.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.121 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.92 85.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.861 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.94 -36.94 84.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.597 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1339 ' ' ALA . . . . . 0.588 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.84 -43.36 98.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.755 177.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -63.43 -34.21 77.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.666 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.89 92.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.366 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' 1338 ' ' ALA . 50.0 t -66.02 -51.63 58.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.887 175.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1343 ' ' THR . . . . . 0.463 ' HA ' ' OD1' ' A' 1250 ' ' ASN . 88.1 m -53.93 -49.64 68.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.379 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.71 -44.64 90.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.313 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 19.5 m -66.03 -36.54 83.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.406 ' CG1' HG13 ' A' 1308 ' ' ILE . 76.8 mt -62.69 -48.49 87.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.116 0.484 . . . . 0.0 109.888 174.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -55.89 -48.9 74.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.04 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -67.32 -24.49 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.513 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.572 ' HG ' ' HB3' ' A' 1304 ' ' ASN . 0.7 OUTLIER -71.42 -40.4 70.46 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.161 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' 1246 ' ' ALA . 43.8 mm -69.12 -36.07 71.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.593 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 29.8 m -57.89 -34.79 70.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.283 0.563 . . . . 0.0 110.414 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.9 tpt -78.62 -27.81 45.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.454 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1353 ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 26.0 t . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.142 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1208 ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' 1268 ' ' ALA . 4.6 t0 -61.86 -22.32 65.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.538 ' HA ' ' HB3' ' A' 1271 ' ' SER . 11.6 m -68.13 -32.2 54.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.113 0.482 . . . . 0.0 110.187 176.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -82.65 -36.48 25.98 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.274 0.559 . . . . 0.0 109.901 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 24.1 t30 -55.97 -42.57 76.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.959 173.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1212 ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' 1216 ' ' VAL . . . -59.95 -46.28 89.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.128 176.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1213 ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' 1209 ' ' VAL . 83.3 mt -60.7 -36.57 79.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -65.05 -41.85 94.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.913 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.77 96.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.945 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.529 HG13 ' CE2' ' A' 1278 ' ' PHE . 50.9 t -61.12 -35.11 63.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.176 0.512 . . . . 0.0 110.106 176.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -69.91 -39.75 74.88 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.141 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1218 ' ' ASP . . . . . 0.579 ' HA ' ' CE ' ' A' 1221 ' ' LYS . 44.2 m-20 -65.0 -45.19 86.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.672 0.272 . . . . 0.0 110.925 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1219 ' ' ALA . . . . . 0.635 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -61.63 -43.28 99.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1220 ' ' SER . . . . . 0.496 ' HA ' HD23 ' A' 1224 ' ' LEU . 3.7 p -65.04 -39.88 93.98 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.148 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1221 ' ' LYS . . . . . 0.579 ' CE ' ' HA ' ' A' 1218 ' ' ASP . 52.9 mtmt -62.82 -49.81 73.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.777 0.323 . . . . 0.0 111.729 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 36.0 mtm-85 -78.84 -8.64 58.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.736 ' HB3' HG11 ' A' 1286 ' ' VAL . 70.3 mt -126.91 -53.92 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1224 ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' 1220 ' ' SER . 4.0 mm? . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 121.132 0.491 . . . . 0.0 111.543 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1236 ' ' GLN . . . . . 0.525 ' HA ' ' HB3' ' A' 1239 ' ' GLN . 36.1 tt0 . . . . . 0 CA--C 1.532 0.25 0 CA-C-O 120.813 0.34 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -59.15 -52.79 64.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.212 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -74.53 -34.35 62.99 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.208 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1239 ' ' GLN . . . . . 0.525 ' HB3' ' HA ' ' A' 1236 ' ' GLN . 60.1 tt0 -59.28 -53.72 55.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.968 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 19.3 m -66.92 -38.88 87.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1241 ' ' ARG . . . . . 0.4 ' HE ' ' HB2' ' A' 1241 ' ' ARG . 14.9 ttm180 -60.2 -44.86 94.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.256 179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1242 ' ' LEU . . . . . 0.434 HD22 ' SD ' ' A' 1288 ' ' MET . 30.7 tp -58.96 -48.59 80.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.66 175.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -60.65 -42.06 96.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.689 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.98 -39.6 95.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -73.16 -39.87 65.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -60.51 -50.36 73.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.956 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.66 -38.46 75.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.33 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.49 -33.74 63.86 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.081 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 30.0 tp -74.99 -31.4 61.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -57.43 -50.33 73.35 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.089 0.471 . . . . 0.0 110.978 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' 1255 ' ' GLU . 0.0 OUTLIER -70.94 -32.5 69.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.169 -178.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -59.21 -46.51 88.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1253 ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' 1257 ' ' VAL . . . -64.81 -39.87 94.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.2 0.524 . . . . 0.0 110.025 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 98.7 m -59.02 -34.81 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.395 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' 1251 ' ' GLN . 34.4 mt-10 -67.46 -41.12 85.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.857 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' 1256 ' ' LEU . 39.4 mt -60.66 -38.76 85.97 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.846 0.355 . . . . 0.0 110.201 175.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1257 ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' 1253 ' ' ALA . 65.6 t -61.31 -50.31 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.261 179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -74.07 -38.39 63.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.246 -174.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -68.59 -26.9 65.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.891 0.377 . . . . 0.0 111.191 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1260 ' ' SER . . . . . 0.404 ' HB3' ' HD2' ' A' 1261 ' ' ARG . 39.2 t -52.68 -34.55 52.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.473 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1261 ' ' ARG . . . . . 0.514 HH22 ' HB2' ' A' 1336 ' ' ALA . 5.5 mpt_? -108.08 16.92 22.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -147.21 -111.86 0.68 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.775 -1.202 . . . . 0.0 113.606 -176.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1263 ' ' THR . . . . . 0.456 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 0.1 OUTLIER -80.49 123.08 83.06 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-O 121.373 0.606 . . . . 0.0 112.24 -171.357 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1264 ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' 1263 ' ' THR . 19.1 Cg_exo -68.08 -34.94 21.26 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.562 2.841 . . . . 0.0 112.383 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -68.55 -31.8 71.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.41 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -45.16 75.53 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.252 174.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 39.1 tp -52.47 -50.39 62.8 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.606 0.566 . . . . 0.0 110.558 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1268 ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' 1208 ' ' ASP . . . -63.97 -51.17 65.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.108 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -61.06 -34.29 74.66 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 111.095 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.8 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.577 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1271 ' ' SER . . . . . 0.538 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 20.8 m -67.49 -51.69 48.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.634 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -64.18 -37.86 95.13 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.753 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -66.27 -47.51 73.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.86 0.362 . . . . 0.0 110.419 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1274 ' ' PHE . . . . . 0.468 ' HZ ' HG11 ' A' 1342 ' ' VAL . 89.2 t80 -59.33 -48.33 82.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.765 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.67 -38.91 97.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.666 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.65 -46.93 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.777 -0.249 . . . . 0.0 111.081 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.76 -35.27 80.03 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.696 0.284 . . . . 0.0 110.642 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.529 ' CE2' HG13 ' A' 1216 ' ' VAL . 47.9 t80 -60.13 -43.76 95.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.535 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 50.8 m -57.93 -48.12 80.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.171 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 21.4 m -61.82 -41.26 97.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.886 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1281 ' ' PHE . . . . . 0.488 ' HE2' HG21 ' A' 1308 ' ' ILE . 84.7 t80 -61.68 -47.63 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.574 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.635 HD23 ' HB1' ' A' 1219 ' ' ALA . 23.7 tp -65.64 -36.56 84.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.382 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1283 ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' A' 1287 ' ' GLU . 43.3 mt-10 -63.58 -43.45 96.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.707 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1284 ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' 1287 ' ' GLU . . . -65.03 -30.89 71.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.997 0.427 . . . . 0.0 110.381 176.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.04 -45.79 95.88 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.281 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.736 HG11 ' HB3' ' A' 1223 ' ' LEU . 13.3 m -74.62 -24.3 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 122.518 -0.401 . . . . 0.0 110.509 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1287 ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' 1283 ' ' GLU . 6.9 mm-40 -56.98 -52.5 64.98 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 173.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.497 ' HA ' ' HG3' ' A' 1291 ' ' GLN . 17.6 ptm -75.54 -26.87 58.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1289 ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' 1286 ' ' VAL . . . -64.62 -30.09 71.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.104 0.478 . . . . 0.0 110.13 176.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -80.26 -11.4 84.35 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.756 -0.656 . . . . 0.0 113.07 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.497 ' HG3' ' HA ' ' A' 1288 ' ' MET . 1.2 pp0? -104.38 6.36 35.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.38 0.59 . . . . 0.0 111.044 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1292 ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -75.83 116.59 56.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.117 178.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1293 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 34.9 Cg_exo -60.3 -41.61 48.96 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.927 2.418 . . . . 0.0 112.285 -177.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 59.1 m -107.59 138.8 43.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.412 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1295 ' ' GLN . . . . . 0.554 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 72.8 mt-30 -68.57 -17.35 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.941 -177.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.28 -46.33 87.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 173.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.81 -35.28 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.179 0.514 . . . . 0.0 109.831 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.554 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 38.4 ttt180 -63.98 -45.81 87.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.146 178.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -73.83 -29.2 62.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.773 0.321 . . . . 0.0 110.568 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.73 -50.81 69.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.787 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.664 HG23 HD21 ' A' 1349 ' ' LEU . 7.6 p -60.6 -40.11 83.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.502 ' HA ' HD12 ' A' 1305 ' ' LEU . 93.8 t -61.56 -37.85 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.876 0.37 . . . . 0.0 110.951 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 20.2 m -64.97 -39.94 94.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.044 0.449 . . . . 0.0 110.369 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1304 ' ' ASN . . . . . 0.432 ' CB ' HD23 ' A' 1349 ' ' LEU . 8.0 m120 -66.63 -37.67 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.8 176.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.3 mt -63.11 -33.95 76.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.835 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -57.75 -42.66 84.4 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 173.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.93 -45.94 78.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.425 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1308 ' ' ILE . . . . . 0.488 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -82.37 -39.06 15.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.314 -178.553 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1309 ' ' SER . . . . . 0.523 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 57.3 p -67.45 -45.1 77.0 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 122.246 -0.284 . . . . 0.0 111.31 -177.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1310 ' ' MET . . . . . 0.639 ' HG2' ' HE2' ' A' 1314 ' ' LYS . 54.3 ttm -65.74 -39.99 91.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.945 0.402 . . . . 0.0 110.194 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 37.4 m -70.55 -29.79 66.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.37 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 42.0 t -61.45 -45.16 95.47 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.492 ' O ' ' HG ' ' A' 1317 ' ' LEU . 39.4 m -60.32 -49.73 76.45 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 114.618 -1.173 . . . . 0.0 110.533 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.639 ' HE2' ' HG2' ' A' 1310 ' ' MET . 66.5 mttm -57.19 -44.09 83.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.426 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.602 HD22 ' HA ' ' A' 1339 ' ' ALA . 37.2 tp -61.4 -47.02 87.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 111.026 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.454 HD21 ' HD2' ' A' 1274 ' ' PHE . 86.4 mt -67.32 -30.13 69.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.813 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' 1313 ' ' SER . 85.8 mt -65.29 -35.1 79.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.41 . . . . 0.0 110.399 175.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.25 83.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.129 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.79 83.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 0.0 110.358 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1320 ' ' LYS . . . . . 0.471 ' HA ' HG21 ' A' 1209 ' ' VAL . 13.3 tppt? -54.51 -49.67 69.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.613 173.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.67 64.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.243 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1322 ' ' LEU . . . . . . . . . . . . . 33.8 tp -75.86 -29.76 58.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.694 0.283 . . . . 0.0 111.587 -176.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 6.3 p -74.74 -17.03 60.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.015 0.436 . . . . 0.0 110.572 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 2.3 p -101.46 -31.66 10.79 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.785 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -131.09 90.83 37.87 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.0 175.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -91.71 15.03 1.73 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.494 2.13 . . . . 0.0 112.292 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -98.63 -38.6 9.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.737 -175.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 41.6 t -68.07 116.27 37.21 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.61 -175.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.11 -27.18 29.89 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.864 2.376 . . . . 0.0 111.05 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.27 -31.51 71.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.908 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.06 -37.93 72.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.032 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1332 ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -59.09 -44.58 91.93 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.098 0.475 . . . . 0.0 109.792 172.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 35.4 t -60.55 -44.67 95.87 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.785 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -62.95 -44.64 95.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.797 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.06 -45.34 91.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.43 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1336 ' ' ALA . . . . . 0.514 ' HB2' HH22 ' A' 1261 ' ' ARG . . . -62.34 -38.7 90.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.294 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.04 -40.99 87.28 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.998 0.428 . . . . 0.0 110.715 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' 1342 ' ' VAL . . . -68.65 -42.6 77.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.662 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1339 ' ' ALA . . . . . 0.602 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.81 -41.12 97.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.094 0.474 . . . . 0.0 110.643 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -61.18 -41.88 97.59 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.109 175.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.7 97.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.823 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' 1346 ' ' ILE . 59.4 t -64.26 -52.73 52.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.724 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 18.1 m -61.66 -37.96 85.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.2 0.524 . . . . 0.0 110.641 -177.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1344 ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' 1348 ' ' GLN . 33.2 t70 -64.11 -50.54 67.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.758 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 9.0 p -66.58 -33.93 76.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.597 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' 1342 ' ' VAL . 95.9 mt -55.2 -53.72 31.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 172.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -64.8 -33.48 76.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.334 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1348 ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' 1344 ' ' ASP . 14.9 mm100 -59.56 -48.83 80.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.884 0.374 . . . . 0.0 110.658 177.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.664 HD21 HG23 ' A' 1301 ' ' VAL . 2.5 tm? -67.16 -38.67 85.87 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.458 -176.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' 1346 ' ' ILE . 44.5 mm -67.39 -43.63 87.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.556 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 85.8 m -60.76 -47.21 87.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.358 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 22.9 ptp -71.51 -27.76 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.681 0.277 . . . . 0.0 110.855 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 39.3 t . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.903 178.366 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1207 ' ' ARG . . . . . 0.506 ' HD3' ' HB3' ' A' 1210 ' ' ASP . 6.6 tpp180 . . . . . 0 C--O 1.222 -0.359 0 N-CA-C 111.471 0.174 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.04 -43.64 66.79 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.557 HG21 ' HA ' ' A' 1320 ' ' LYS . 31.5 m -64.14 -36.17 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.852 0.358 . . . . 0.0 111.37 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1210 ' ' ASP . . . . . 0.506 ' HB3' ' HD3' ' A' 1207 ' ' ARG . 25.2 t70 -83.55 -27.49 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.078 0.466 . . . . 0.0 110.692 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 59.1 t30 -63.59 -35.06 79.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.984 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1212 ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' 1216 ' ' VAL . . . -60.71 -40.9 94.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.888 173.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1213 ' ' LEU . . . . . 0.79 HD21 ' HB2' ' A' 1316 ' ' LEU . 41.9 mt -67.52 -31.14 71.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.993 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1214 ' ' ARG . . . . . 0.435 ' HA ' ' HE ' ' A' 1214 ' ' ARG . 2.9 tpm_? -59.62 -41.06 89.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.17 -50.51 39.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.614 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.541 HG13 ' CE2' ' A' 1278 ' ' PHE . 87.2 t -58.84 -52.64 57.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.315 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1217 ' ' GLY . . . . . 0.443 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -62.52 -47.4 89.6 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.559 -177.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.64 -43.88 98.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.631 0.253 . . . . 0.0 110.689 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1219 ' ' ALA . . . . . 0.426 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -65.88 -42.81 89.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.967 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 48.5 m -62.1 -37.2 84.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.81 0.338 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1221 ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' 1217 ' ' GLY . 67.2 mttm -74.15 -56.98 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.991 0.424 . . . . 0.0 110.318 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -56.41 -56.31 22.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.035 -175.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.675 ' HB3' HG21 ' A' 1286 ' ' VAL . 92.3 mt -68.13 -37.83 81.54 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -173.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.349 . . . . 0.0 111.457 -176.942 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1236 ' ' GLN . . . . . 0.509 ' HA ' ' HB3' ' A' 1239 ' ' GLN . 29.4 tt0 . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.482 0.182 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -54.24 -48.1 71.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 110.623 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -78.33 -34.94 48.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.319 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1239 ' ' GLN . . . . . 0.509 ' HB3' ' HA ' ' A' 1236 ' ' GLN . 53.0 tt0 -57.32 -45.13 84.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.734 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 17.6 m -63.37 -37.46 87.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1241 ' ' ARG . . . . . 0.432 ' HG2' ' HB2' ' A' 1284 ' ' ALA . 52.8 ttt180 -67.76 -39.07 84.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.346 -178.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1242 ' ' LEU . . . . . 0.794 HD22 ' HB1' ' A' 1284 ' ' ALA . 2.4 mm? -57.39 -41.15 79.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.856 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -66.75 -39.24 87.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.567 -174.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.65 -52.21 40.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.185 0.517 . . . . 0.0 110.287 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.1 -33.32 75.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.226 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.01 -53.67 55.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.225 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.4 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.74 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -64.86 -47.01 87.69 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.4 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1249 ' ' LEU . . . . . 0.424 HD23 HD11 ' A' 1346 ' ' ILE . 22.2 tp -66.24 -36.71 83.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.602 0.239 . . . . 0.0 110.768 -177.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -62.01 -39.89 93.8 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.838 0.351 . . . . 0.0 110.702 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.504 ' O ' ' HB ' ' A' 1254 ' ' THR . 25.7 tm0? -72.44 -39.62 67.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.963 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.08 96.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.013 0.435 . . . . 0.0 110.796 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1253 ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' 1257 ' ' VAL . . . -62.44 -40.2 95.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.19 0.519 . . . . 0.0 109.916 174.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1254 ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' 1251 ' ' GLN . 80.5 m -57.54 -40.15 78.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.973 176.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' 1251 ' ' GLN . 59.8 mt-10 -61.67 -45.14 95.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.583 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 68.9 mt -59.78 -42.09 92.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.717 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1257 ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' 1253 ' ' ALA . 95.7 t -59.28 -48.97 85.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.844 0.354 . . . . 0.0 111.254 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -69.23 -43.52 73.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.926 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.1 69.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1260 ' ' SER . . . . . . . . . . . . . 38.6 t -55.09 -37.35 66.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.764 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1261 ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' 1261 ' ' ARG . 23.0 mtp180 -112.27 21.0 16.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.2 -177.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -126.7 -60.18 0.14 Allowed Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.326 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1263 ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 1.8 t -167.78 133.43 1.63 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 121.101 0.477 . . . . 0.0 111.372 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1264 ' ' PRO . . . . . 0.77 ' HA ' HD12 ' A' 1267 ' ' LEU . 39.5 Cg_exo -61.06 -23.09 76.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.379 2.719 . . . . 0.0 112.436 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -76.44 -27.92 56.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -177.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1266 ' ' ASP . . . . . 0.429 ' HB2' HG23 ' A' 1263 ' ' THR . 10.7 t70 -75.25 -35.15 61.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' 1264 ' ' PRO . 75.6 mt -53.17 -44.75 68.12 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.852 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.9 79.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.076 0.465 . . . . 0.0 111.082 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.31 -45.54 94.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.008 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.65 -28.72 70.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.67 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 35.5 m -63.6 -43.62 96.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.708 0.29 . . . . 0.0 110.932 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -74.77 -27.41 64.97 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.617 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -69.52 -53.62 18.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 175.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 65.7 t80 -61.02 -47.52 86.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.936 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -61.03 -37.75 94.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.594 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.67 -50.02 47.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.619 0.247 . . . . 0.0 110.823 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -62.18 -37.71 86.29 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.413 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.698 ' HE1' ' HA ' ' A' 1309 ' ' SER . 83.6 t80 -61.08 -44.46 97.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.484 176.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 58.8 m -56.13 -51.14 69.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.088 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 32.7 m -61.96 -39.52 92.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.185 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 58.0 t80 -64.11 -46.04 85.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.502 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.426 HD23 ' HB1' ' A' 1219 ' ' ALA . 20.7 tp -66.27 -38.01 86.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.345 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.6 -50.42 70.16 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.192 173.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1284 ' ' ALA . . . . . 0.794 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -61.82 -37.21 83.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.15 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -60.05 -48.0 88.26 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.09 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.675 HG21 ' HB3' ' A' 1223 ' ' LEU . 33.3 t -68.72 -33.93 62.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.145 0.497 . . . . 0.0 110.02 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -59.23 -47.15 86.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.763 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.55 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 20.6 ptm -75.09 -25.25 58.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -69.48 -32.56 71.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 110.774 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -73.05 -28.56 66.31 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.495 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.55 ' HG2' ' HA ' ' A' 1288 ' ' MET . 12.3 pt20 -93.37 10.08 33.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.811 0.338 . . . . 0.0 110.724 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1292 ' ' ALA . . . . . 0.478 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -62.48 126.39 88.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.568 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1293 ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 31.4 Cg_exo -59.62 -35.96 93.77 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.033 2.489 . . . . 0.0 112.419 -177.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 96.6 p -136.26 165.46 25.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.242 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1295 ' ' GLN . . . . . 0.425 HE22 HH11 ' A' 1298 ' ' ARG . 89.6 mm-40 -70.14 -20.29 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.28 -45.3 93.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.059 175.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -71.23 -40.43 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.536 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' 1302 ' ' VAL . 75.6 ttt180 -63.43 -46.53 85.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.361 -176.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.53 75.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.012 0.434 . . . . 0.0 110.819 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -69.25 -48.9 60.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.919 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.656 ' O ' ' HG ' ' A' 1305 ' ' LEU . 10.4 p -62.89 -39.14 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.139 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' 1298 ' ' ARG . 71.8 t -61.78 -43.98 98.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.674 0.273 . . . . 0.0 111.233 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 3.2 p -66.95 -32.88 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.146 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 9.1 m120 -66.34 -42.76 87.67 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.298 0.571 . . . . 0.0 109.777 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.5 mt -60.63 -32.78 71.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.338 -177.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.68 -37.1 82.87 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.627 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.56 -51.32 57.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.319 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1308 ' ' ILE . . . . . 0.442 HG13 ' CG1' ' A' 1346 ' ' ILE . 0.0 OUTLIER -74.45 -39.9 48.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 121.253 -0.179 . . . . 0.0 111.123 -178.477 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1309 ' ' SER . . . . . 0.698 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 23.9 p -65.43 -44.54 87.03 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.545 0.212 . . . . 0.0 111.313 -177.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1310 ' ' MET . . . . . 0.624 ' O ' ' HG3' ' A' 1314 ' ' LYS . 20.1 mmt -63.31 -46.77 85.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.708 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 66.3 m -62.72 -34.94 78.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.483 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 61.3 m -65.7 -37.72 87.24 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.681 0.753 . . . . 0.0 109.533 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' 1317 ' ' LEU . 47.4 m -64.75 -48.22 75.36 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.149 176.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' 1310 ' ' MET . 82.6 mttt -60.44 -38.58 84.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.574 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.645 HD22 ' HA ' ' A' 1339 ' ' ALA . 34.0 tp -61.07 -52.78 63.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.1 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.79 ' HB2' HD21 ' A' 1213 ' ' LEU . 95.9 mt -65.6 -30.15 70.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' 1314 ' ' LYS . 72.3 mt -59.53 -45.97 90.23 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 174.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.24 92.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.646 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.61 95.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 178.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1320 ' ' LYS . . . . . 0.557 ' HA ' HG21 ' A' 1209 ' ' VAL . 33.6 ttpt -64.21 -43.7 94.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.717 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.98 72.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.492 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.569 HD23 HD11 ' A' 1267 ' ' LEU . 28.1 tp -73.0 -26.31 61.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.736 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 29.5 t -63.73 -41.84 97.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.106 0.479 . . . . 0.0 109.839 175.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 3.1 m -79.79 -40.61 28.27 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.191 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1325 ' ' ASP . . . . . 0.449 ' O ' HD12 ' A' 1322 ' ' LEU . 2.7 m-20 -120.12 86.23 37.06 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -90.04 3.22 5.1 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.623 2.216 . . . . 0.0 112.949 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1327 ' ' ALA . . . . . 0.482 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -107.4 13.46 26.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.689 0.28 . . . . 0.0 111.24 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 34.2 t -99.79 103.49 22.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.382 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1329 ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' A' 1327 ' ' ALA . 26.1 Cg_exo -62.8 -34.08 73.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.772 2.315 . . . . 0.0 111.628 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.13 -36.93 85.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 178.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 19.5 tp -68.79 -32.7 72.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.544 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.555 ' CE ' HD11 ' A' 1322 ' ' LEU . 2.1 mptm? -61.44 -39.79 92.11 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.381 0.61 . . . . 0.0 110.035 173.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 23.2 t -70.65 -42.79 70.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.696 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.6 -40.66 97.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.762 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.42 -53.15 61.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.118 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.93 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 111.033 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -64.35 -49.87 69.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.056 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' 1342 ' ' VAL . . . -62.91 -38.01 89.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.644 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1339 ' ' ALA . . . . . 0.645 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -59.67 -46.24 89.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.026 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1340 ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' 1340 ' ' ARG . 33.2 mmt180 -68.66 -28.76 67.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.935 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.51 -40.02 94.86 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 174.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' 1338 ' ' ALA . 62.6 t -61.57 -49.8 82.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.695 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.4 m -53.7 -47.45 70.49 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.507 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.42 -53.53 57.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.42 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.8 m -61.03 -38.19 85.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.323 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.556 ' O ' HG12 ' A' 1350 ' ' ILE . 63.9 mt -59.22 -52.16 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.266 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -57.33 -47.5 81.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.392 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -60.07 -43.95 95.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.661 0.267 . . . . 0.0 110.91 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -60.25 -44.5 95.22 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.24 0.543 . . . . 0.0 109.698 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.606 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 35.0 mm -70.86 -35.24 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.271 -177.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 91.8 m -72.26 -26.03 61.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.933 0.397 . . . . 0.0 111.434 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 71.5 mtm -80.02 -36.23 36.15 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.145 -0.347 . . . . 0.0 111.267 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1353 ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' 1350 ' ' ILE . 24.5 p . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 120.941 0.4 . . . . 0.0 110.731 178.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 . . . . . 0 C--O 1.223 -0.309 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1208 ' ' ASP . . . . . 0.464 ' HB2' ' HB1' ' A' 1268 ' ' ALA . 14.9 m-20 -60.01 -35.79 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.636 ' HA ' ' OG ' ' A' 1271 ' ' SER . 29.7 m -80.4 -39.23 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.208 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1210 ' ' ASP . . . . . 0.58 ' HA ' ' HD3' ' A' 1320 ' ' LYS . 36.7 t70 -77.35 -30.97 54.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.853 0.358 . . . . 0.0 111.648 -176.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.39 -29.57 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 0.0 110.555 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1212 ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' 1216 ' ' VAL . . . -66.42 -44.53 82.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.427 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1213 ' ' LEU . . . . . 0.696 HD11 ' HB3' ' A' 1316 ' ' LEU . 7.1 mp -63.56 -35.32 80.11 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.155 177.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -56.56 -43.75 80.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.782 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.74 -44.98 65.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.003 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.682 HG13 ' CE2' ' A' 1278 ' ' PHE . 84.9 t -58.98 -47.65 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.984 0.421 . . . . 0.0 110.834 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.94 -41.27 97.45 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.48 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.75 -44.12 82.32 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.649 -0.324 . . . . 0.0 110.148 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.15 71.42 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.016 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 38.4 m -58.12 -54.16 50.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.968 0.413 . . . . 0.0 110.699 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1221 ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' 1221 ' ' LYS . 3.9 mptp? -76.0 -26.49 56.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 111.035 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -72.45 -25.21 61.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.261 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.502 HD21 ' HG2' ' A' 1283 ' ' GLU . 62.7 mt -111.27 -54.5 2.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.248 -172.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1224 ' ' LEU . . . . . 0.48 HD22 HG13 ' A' 1302 ' ' VAL . 83.0 mt . . . . . 0 N--CA 1.464 0.242 0 O-C-N 123.188 0.305 . . . . 0.0 111.76 -172.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.14 0.495 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.07 -47.51 82.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.123 175.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1238 ' ' ALA . . . . . 0.789 ' HA ' ' HG2' ' A' 1241 ' ' ARG . . . -79.31 -27.56 42.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.047 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -55.66 -53.79 52.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 14.6 m -64.99 -38.37 90.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.877 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1241 ' ' ARG . . . . . 0.789 ' HG2' ' HA ' ' A' 1238 ' ' ALA . 14.0 ptm180 -75.24 -28.43 59.86 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.981 -173.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1242 ' ' LEU . . . . . 0.466 HD22 ' HB1' ' A' 1284 ' ' ALA . 1.0 OUTLIER -60.38 -45.9 91.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.375 174.661 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -66.05 -39.51 90.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.264 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.78 -49.0 64.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.094 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.42 80.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -57.68 -53.33 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.39 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.21 -37.07 71.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.344 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -68.96 -44.69 66.5 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.219 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 32.2 tp -68.3 -31.16 70.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.642 0.258 . . . . 0.0 111.03 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 11.1 m120 -54.99 -50.45 68.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.136 0.493 . . . . 0.0 110.571 175.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 17.2 tm0? -72.49 -33.82 67.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.037 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1252 ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -58.09 -42.11 84.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 177.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -67.29 -32.77 73.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.096 0.474 . . . . 0.0 110.301 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 29.9 m -63.3 -36.22 82.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.699 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1255 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.48 -43.32 99.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.203 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.39 -38.26 86.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.548 0.213 . . . . 0.0 110.912 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 48.9 t -60.71 -52.6 59.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-O 120.981 0.42 . . . . 0.0 110.663 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -64.54 -42.07 95.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.627 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.55 88.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.385 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1260 ' ' SER . . . . . 0.513 ' OG ' ' HG ' ' A' 1335 ' ' LEU . 63.5 m -59.85 -31.07 69.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.79 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -97.03 4.39 51.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -177.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -117.6 -71.4 0.42 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.708 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1263 ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' 1266 ' ' ASP . 2.7 t -156.47 136.14 8.34 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.749 0.309 . . . . 0.0 111.251 -177.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1264 ' ' PRO . . . . . 0.744 ' HA ' HD13 ' A' 1267 ' ' LEU . 50.5 Cg_exo -54.7 -30.76 68.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.483 2.788 . . . . 0.0 112.901 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -70.36 -20.67 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.328 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1266 ' ' ASP . . . . . 0.424 ' HB2' HG23 ' A' 1263 ' ' THR . 16.5 t70 -79.88 -32.05 40.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.329 . . . . 0.0 110.123 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.744 HD13 ' HA ' ' A' 1264 ' ' PRO . 6.6 mp -59.84 -34.2 72.78 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.121 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1268 ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' 1208 ' ' ASP . . . -57.57 -55.14 38.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.217 179.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -69.23 -35.43 76.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.358 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.09 85.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.624 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1271 ' ' SER . . . . . 0.636 ' OG ' ' HA ' ' A' 1209 ' ' VAL . 7.5 t -63.17 -41.57 99.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.789 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.69 92.27 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.986 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -74.37 -50.01 20.4 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1274 ' ' PHE . . . . . 0.413 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 73.5 t80 -56.53 -48.26 77.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.496 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.32 95.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.775 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.29 -51.88 27.1 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.526 0.203 . . . . 0.0 111.085 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -63.27 -36.05 82.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.517 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.682 ' CE2' HG13 ' A' 1216 ' ' VAL . 74.2 t80 -60.96 -45.03 96.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.537 175.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1279 ' ' SER . . . . . 0.579 ' O ' ' HG3' ' A' 1283 ' ' GLU . 51.9 m -54.5 -54.43 41.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.047 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 14.3 m -60.86 -40.34 92.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.154 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 82.7 t80 -63.71 -48.31 77.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.64 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' 1286 ' ' VAL . 43.6 tp -64.44 -45.92 85.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.712 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1283 ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' 1279 ' ' SER . 58.8 mt-10 -60.53 -35.78 76.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.9 0.381 . . . . 0.0 110.452 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1284 ' ' ALA . . . . . 0.466 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -71.37 -43.31 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.78 177.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -60.39 -47.12 92.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.175 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' 1282 ' ' LEU . 45.5 t -67.22 -30.0 47.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 0.0 110.107 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1287 ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' 1291 ' ' GLN . 9.3 tp10 -59.52 -53.48 57.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.182 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.579 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 19.9 ptm -72.74 -26.63 61.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.98 90.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 171.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -83.93 31.68 3.34 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.604 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.579 ' HG2' ' HA ' ' A' 1288 ' ' MET . 77.5 mm-40 -116.39 -12.38 11.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.494 0.664 . . . . 0.0 109.234 171.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -67.71 128.7 93.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.315 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -62.27 -34.05 79.07 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.58 2.186 . . . . 0.0 112.117 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1294 ' ' SER . . . . . 0.403 ' HB2' ' CB ' ' A' 1297 ' ' ASP . 19.1 m -91.16 126.79 36.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.063 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1295 ' ' GLN . . . . . 0.459 ' O ' ' HB3' ' A' 1298 ' ' ARG . 26.2 pt20 -66.9 -27.03 67.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.486 0.184 . . . . 0.0 111.254 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.85 -34.54 57.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.991 0.424 . . . . 0.0 109.957 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1297 ' ' ASP . . . . . 0.403 ' CB ' ' HB2' ' A' 1294 ' ' SER . 19.3 t70 -68.35 -34.85 76.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' A' 1295 ' ' GLN . 12.8 ttp85 -55.8 -43.75 77.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.946 170.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -66.35 -28.69 68.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.232 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1300 ' ' GLN . . . . . 0.403 ' HB3' ' O ' ' A' 1297 ' ' ASP . 34.1 tt0 -58.59 -48.88 79.47 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.605 ' O ' ' HG ' ' A' 1305 ' ' LEU . 16.8 t -59.95 -44.22 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.769 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.48 HG13 HD22 ' A' 1224 ' ' LEU . 90.7 t -57.62 -39.44 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.141 178.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1303 ' ' SER . . . . . 0.511 ' HA ' ' HE3' ' A' 1306 ' ' LYS . 26.6 t -61.01 -36.52 79.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.038 0.447 . . . . 0.0 110.333 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -76.17 -39.97 53.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.241 0.543 . . . . 0.0 109.819 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' 1301 ' ' VAL . 95.6 mt -62.0 -36.63 82.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.538 -178.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1306 ' ' LYS . . . . . 0.564 ' HA ' ' OG ' ' A' 1309 ' ' SER . 16.1 ptpt -64.75 -28.83 69.85 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.888 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -58.97 -45.67 94.82 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.823 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -40.73 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 122.675 -0.309 . . . . 0.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1309 ' ' SER . . . . . 0.633 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 24.3 p -65.13 -47.5 76.89 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.763 0.316 . . . . 0.0 111.619 -176.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1310 ' ' MET . . . . . 0.549 ' O ' ' HG3' ' A' 1314 ' ' LYS . 90.7 mtp -67.6 -37.2 82.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.647 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1311 ' ' SER . . . . . 0.807 ' HA ' ' HD2' ' A' 1314 ' ' LYS . 69.2 m -65.22 -33.37 75.84 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.728 177.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 49.6 m -67.22 -38.67 85.66 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.371 0.605 . . . . 0.0 109.47 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.551 ' O ' ' HG ' ' A' 1317 ' ' LEU . 41.5 m -62.04 -48.11 81.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.046 174.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.807 ' HD2' ' HA ' ' A' 1311 ' ' SER . 56.3 mttm -56.51 -43.41 79.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.564 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.17 -51.3 69.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.064 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.696 ' HB3' HD11 ' A' 1213 ' ' LEU . 89.4 mt -65.45 -30.17 70.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.434 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' 1313 ' ' SER . 78.6 mt -57.26 -47.38 81.56 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 110.387 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.6 -36.38 76.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.581 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.06 86.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.31 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1320 ' ' LYS . . . . . 0.58 ' HD3' ' HA ' ' A' 1210 ' ' ASP . 32.5 mtmt -59.14 -52.05 67.39 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 178.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.05 88.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.801 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.512 HD11 ' CE ' ' A' 1332 ' ' LYS . 20.4 tp -66.12 -29.37 69.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.834 0.349 . . . . 0.0 111.499 -175.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1323 ' ' SER . . . . . 0.465 ' HA ' ' HB3' ' A' 1264 ' ' PRO . 43.5 m -72.03 -14.13 61.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.842 0.353 . . . . 0.0 111.313 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 11.9 t -125.67 10.6 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.118 0.485 . . . . 0.0 110.433 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1325 ' ' ASP . . . . . 0.413 ' N ' ' HD3' ' A' 1326 ' ' PRO . 28.7 t70 -156.83 56.36 1.17 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.307 -177.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1326 ' ' PRO . . . . . 0.431 ' HA ' HD12 ' A' 1322 ' ' LEU . 95.6 Cg_endo -85.0 17.39 1.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.462 2.108 . . . . 0.0 113.36 -172.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1327 ' ' ALA . . . . . 0.469 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -100.09 -7.58 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.787 0.327 . . . . 0.0 110.955 177.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 18.2 m -90.97 108.36 27.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.47 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1329 ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' 1327 ' ' ALA . 28.2 Cg_exo -62.61 -34.51 74.36 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.981 2.454 . . . . 0.0 112.001 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 8.6 p30 -61.33 -30.43 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.673 177.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 12.1 tp -77.18 -34.76 56.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.064 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.512 ' CE ' HD11 ' A' 1322 ' ' LEU . 1.4 mptm? -64.51 -38.62 91.66 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.275 0.56 . . . . 0.0 109.817 172.373 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 39.8 m -66.81 -48.46 68.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.055 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.27 -37.14 84.33 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.956 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1335 ' ' LEU . . . . . 0.513 ' HG ' ' OG ' ' A' 1260 ' ' SER . 1.6 tm? -56.7 -53.0 62.73 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.78 84.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.28 81.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' 1342 ' ' VAL . . . -68.14 -38.05 81.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.726 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.54 96.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.632 177.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1340 ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' 1340 ' ' ARG . 27.1 mmt180 -65.66 -37.53 86.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.311 176.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.83 88.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.455 176.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' 1346 ' ' ILE . 82.7 t -60.81 -52.61 59.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.732 178.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.3 m -61.03 -45.58 94.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.357 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -38.06 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.436 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 43.2 m -66.36 -37.67 85.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.704 0.288 . . . . 0.0 110.63 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' 1342 ' ' VAL . 94.0 mt -58.07 -52.99 51.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.086 175.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.44 -43.03 88.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.144 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -61.98 -42.96 99.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.5 -46.16 73.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.767 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' 1346 ' ' ILE . 29.4 mm -63.77 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 88.2 m -56.59 -55.71 30.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.297 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 24.2 ttt -58.91 -45.15 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.184 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 78.4 m . . . . . 0 C--N 1.323 -0.569 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -173.348 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.48 -29.37 70.42 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.499 ' CG2' ' HG2' ' A' 1320 ' ' LYS . 10.5 m -74.5 -25.84 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.106 0.479 . . . . 0.0 109.995 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.38 -44.84 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.143 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.72 -30.33 70.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.821 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1212 ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' 1216 ' ' VAL . . . -63.75 -40.6 97.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.358 175.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1213 ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' 1209 ' ' VAL . 39.7 mt -65.63 -40.09 92.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1214 ' ' ARG . . . . . 0.439 ' C ' ' HD3' ' A' 1214 ' ' ARG . 2.7 tmt_? -59.19 -41.23 88.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.23 -54.12 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.972 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.459 HG13 ' CE2' ' A' 1278 ' ' PHE . 48.9 t -62.06 -45.45 98.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.003 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1217 ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -61.28 -48.12 87.23 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.743 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.82 -41.94 74.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.845 0.323 . . . . 0.0 110.987 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1219 ' ' ALA . . . . . 0.478 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -62.61 -44.29 96.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.696 0.284 . . . . 0.0 111.147 -178.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1220 ' ' SER . . . . . 0.503 ' HA ' HD23 ' A' 1224 ' ' LEU . 13.3 p -62.05 -36.37 81.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 111.028 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1221 ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' 1217 ' ' GLY . 49.0 mtmt -74.12 -50.52 19.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 178.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -68.29 -32.67 72.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.317 -172.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.604 ' HB3' HG11 ' A' 1286 ' ' VAL . 91.2 mt -95.89 -48.39 5.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -172.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1224 ' ' LEU . . . . . 0.696 HD21 HD11 ' A' 1282 ' ' LEU . 3.7 mm? . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 111.787 -177.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -62.28 -32.14 72.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.591 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -68.25 -34.57 76.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.057 0.456 . . . . 0.0 110.115 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -73.82 -45.26 52.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.398 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.6 m -62.38 -36.88 83.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.302 0.572 . . . . 0.0 110.128 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -61.48 -43.28 99.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.875 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 42.1 tp -65.1 -38.21 89.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.108 177.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 15.4 m120 -59.05 -44.21 91.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.307 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.1 -38.69 75.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.3 0.571 . . . . 0.0 109.976 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1245 ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -61.61 -42.02 98.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.836 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1246 ' ' ALA . . . . . 0.486 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -58.03 -51.77 68.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.379 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.35 71.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.215 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.11 -50.52 22.29 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.001 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1249 ' ' LEU . . . . . 0.451 HD12 ' HB3' ' A' 1252 ' ' ALA . 33.0 tp -66.06 -31.37 72.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.561 0.22 . . . . 0.0 110.946 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -57.5 -41.32 80.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.92 0.391 . . . . 0.0 110.183 174.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' 1254 ' ' THR . 42.1 tt0 -72.49 -38.64 68.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1252 ' ' ALA . . . . . 0.844 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -55.74 -46.43 77.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.952 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1253 ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' 1257 ' ' VAL . . . -66.38 -38.57 87.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 110.284 175.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1254 ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' 1251 ' ' GLN . 39.2 m -58.25 -40.89 82.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.484 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1255 ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.58 -29.19 69.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.179 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.529 ' HB3' HD21 ' A' 1335 ' ' LEU . 22.4 mt -73.34 -30.9 63.64 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.397 174.479 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1257 ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' 1253 ' ' ALA . 66.5 t -60.9 -53.84 43.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.57 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.68 -38.58 91.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.043 0.449 . . . . 0.0 111.023 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.83 83.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.294 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1260 ' ' SER . . . . . 0.461 ' HB3' HD22 ' A' 1335 ' ' LEU . 96.1 p -57.93 -32.41 67.75 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -111.97 21.88 15.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.972 0.415 . . . . 0.0 111.015 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.29 -87.79 0.96 Allowed Glycine 0 N--CA 1.436 -1.321 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 68.4 p -145.46 151.13 46.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.475 0.178 . . . . 0.0 111.225 -176.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1264 ' ' PRO . . . . . 0.682 ' HA ' HD12 ' A' 1267 ' ' LEU . 50.0 Cg_exo -58.91 -27.28 84.07 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.77 2.313 . . . . 0.0 111.571 173.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1265 ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' 1269 ' ' ARG . 76.2 mt-30 -68.1 -42.35 80.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.507 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.33 -37.39 80.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' 1264 ' ' PRO . 45.1 mt -55.02 -47.99 74.0 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.86 174.138 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -59.47 -53.93 52.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1269 ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' 1265 ' ' GLN . 19.3 mtm180 -57.49 -38.56 74.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.382 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -68.07 -41.31 82.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.074 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1271 ' ' SER . . . . . 0.465 ' OG ' HG12 ' A' 1209 ' ' VAL . 34.6 m -62.56 -45.2 94.04 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.875 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.65 97.28 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.887 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -68.47 -42.65 78.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.514 0.197 . . . . 0.0 110.923 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1274 ' ' PHE . . . . . 0.844 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 68.7 t80 -57.92 -52.79 64.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.813 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -64.69 -35.76 92.32 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.213 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -69.6 -52.74 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.657 0.265 . . . . 0.0 111.131 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.85 -36.69 85.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.459 ' CE2' HG13 ' A' 1216 ' ' VAL . 88.3 t80 -59.12 -38.08 78.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.773 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 49.3 m -56.32 -50.83 70.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 10.2 m -61.76 -42.18 98.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.789 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1281 ' ' PHE . . . . . 0.643 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 79.8 t80 -60.11 -51.39 69.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.087 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.696 HD11 HD21 ' A' 1224 ' ' LEU . 23.1 tp -67.09 -39.56 86.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -175.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.42 -37.4 83.37 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.777 0.323 . . . . 0.0 110.904 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -69.94 -41.1 75.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.834 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.14 -47.28 90.92 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.691 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.604 HG11 ' HB3' ' A' 1223 ' ' LEU . 27.8 m -72.62 -24.53 21.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 122.578 -0.366 . . . . 0.0 111.363 -179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -63.24 -48.22 79.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.486 ' O ' ' HG3' ' A' 1291 ' ' GLN . 23.8 ptm -75.02 -25.49 58.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.719 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -61.85 -33.79 74.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.069 0.461 . . . . 0.0 110.537 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -71.7 -40.54 58.46 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.604 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' 1288 ' ' MET . 1.4 pp0? -77.91 -8.26 57.85 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 122.791 -0.24 . . . . 0.0 111.414 -176.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -52.95 128.75 47.35 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.181 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.95 -62.82 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.182 2.588 . . . . 0.0 113.096 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 77.8 p -95.22 165.81 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.017 0.436 . . . . 0.0 110.674 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.22 -23.23 61.97 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -73.43 -42.52 61.91 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.682 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -59.44 -42.72 92.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.967 0.413 . . . . 0.0 110.179 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' 1302 ' ' VAL . 42.4 ttm180 -63.73 -44.01 94.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.602 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.36 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.088 0.47 . . . . 0.0 111.024 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -61.91 -40.62 96.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.337 -177.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' A' 1305 ' ' LEU . 7.1 p -79.71 -39.1 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.47 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.538 ' HA ' HD12 ' A' 1305 ' ' LEU . 62.3 t -61.52 -35.71 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -176.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 67.3 p -58.09 -46.14 86.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 111.086 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1304 ' ' ASN . . . . . 0.821 ' HB2' HD23 ' A' 1349 ' ' LEU . 10.0 m120 -71.88 -31.35 66.34 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.119 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.4 mt -60.5 -40.93 93.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.445 178.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -64.68 -47.02 79.94 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.29 -50.82 54.69 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.634 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -36.58 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.433 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 36.9 t -62.88 -51.92 65.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.648 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1310 ' ' MET . . . . . 0.563 ' O ' ' HG3' ' A' 1314 ' ' LYS . 0.0 OUTLIER -62.18 -40.56 96.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 53.1 m -60.42 -37.97 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.615 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 53.3 m -63.61 -43.12 97.82 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.349 0.595 . . . . 0.0 109.971 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.63 ' O ' ' HG ' ' A' 1317 ' ' LEU . 66.7 m -60.78 -48.17 83.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.634 175.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' A' 1310 ' ' MET . 65.2 mttm -59.63 -35.52 74.54 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.031 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.571 HD22 ' HA ' ' A' 1339 ' ' ALA . 29.1 tp -65.89 -50.97 62.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.998 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' A' 1320 ' ' LYS . 91.1 mt -63.34 -30.11 71.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.493 -177.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' 1313 ' ' SER . 89.4 mt -58.46 -45.64 88.18 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.678 0.275 . . . . 0.0 110.824 177.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.47 -35.0 78.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.669 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.95 96.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.893 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1320 ' ' LYS . . . . . 0.499 ' HG2' ' CG2' ' A' 1209 ' ' VAL . 9.7 mtmp? -59.78 -56.27 23.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 0.0 110.668 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -61.72 -31.32 71.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.015 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.573 HD11 ' HD2' ' A' 1332 ' ' LYS . 20.1 tp -77.73 -16.4 58.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -177.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 50.6 m -81.5 -31.72 32.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.362 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 26.8 p -86.56 -41.28 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.47 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -116.31 90.03 28.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.276 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.29 13.46 2.26 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.729 2.286 . . . . 0.0 111.676 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -100.97 -24.64 14.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.879 -175.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1328 ' ' SER . . . . . 0.439 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 10.9 t -74.75 118.33 69.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 110.946 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1329 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1328 ' ' SER . 24.4 Cg_exo -63.98 -45.78 9.72 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.226 2.617 . . . . 0.0 112.252 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 42.0 t30 -60.95 -28.14 68.76 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.725 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.6 -30.32 68.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.176 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.573 ' HD2' HD11 ' A' 1322 ' ' LEU . 4.2 mptp? -70.12 -46.79 64.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.177 0.513 . . . . 0.0 109.788 172.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 7.2 m -61.26 -43.79 98.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.155 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -61.58 -42.61 99.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.997 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1335 ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' 1256 ' ' LEU . 7.3 tt -61.91 -47.37 85.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.84 80.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.163 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -69.0 -41.17 78.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.539 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.28 -41.91 84.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.309 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1339 ' ' ALA . . . . . 0.571 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.65 -36.83 81.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.131 0.491 . . . . 0.0 110.319 176.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -62.93 -43.55 98.48 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.906 175.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.44 99.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.628 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.583 ' O ' HG13 ' A' 1346 ' ' ILE . 64.3 t -63.47 -52.56 56.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.448 177.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1343 ' ' THR . . . . . 0.486 ' HA ' HD12 ' A' 1346 ' ' ILE . 29.4 m -60.3 -36.65 78.39 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.134 0.493 . . . . 0.0 110.863 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.16 -47.25 74.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.465 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 25.5 m -66.69 -32.31 73.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.392 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.583 HG13 ' O ' ' A' 1342 ' ' VAL . 97.0 mt -59.09 -54.27 36.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.083 0.468 . . . . 0.0 110.141 175.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -66.27 -39.24 89.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -57.93 -38.01 75.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.401 . . . . 0.0 110.689 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.821 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.1 tm? -68.06 -39.6 82.97 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' 1346 ' ' ILE . 46.2 mm -70.3 -40.89 78.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.331 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 23.6 m -64.53 -26.86 68.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.241 0.543 . . . . 0.0 110.69 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 50.4 tpp -78.63 -48.24 15.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.718 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1353 ' ' CYS . . . . . 0.453 ' HB3' ' HE1' ' A' 1288 ' ' MET . 55.7 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.148 -176.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 . . . . . 0 N--CA 1.461 0.101 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.08 -35.1 46.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.347 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.723 HG21 ' HA ' ' A' 1320 ' ' LYS . 22.9 m -59.89 -38.67 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.156 0.503 . . . . 0.0 110.376 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.3 -33.92 23.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.416 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.24 -37.89 89.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.248 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1212 ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' 1216 ' ' VAL . . . -63.86 -33.61 76.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.745 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1213 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 1209 ' ' VAL . 70.5 mt -62.07 -34.82 77.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1214 ' ' ARG . . . . . 0.425 ' HA ' ' HD2' ' A' 1214 ' ' ARG . 5.7 tpt180 -65.78 -40.34 91.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.244 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.17 95.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.461 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1212 ' ' ALA . 64.3 t -63.4 -41.43 92.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.483 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.97 -49.61 66.31 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.396 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -60.98 -52.11 66.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 120.313 0.102 . . . . 0.0 111.259 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1219 ' ' ALA . . . . . 0.503 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -53.11 -48.57 67.73 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.353 0.408 . . . . 0.0 111.205 -175.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1220 ' ' SER . . . . . 0.713 ' O ' ' HG ' ' A' 1224 ' ' LEU . 38.2 m -65.63 -55.17 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.151 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 64.7 mttp -67.94 -27.29 66.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -172.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -57.28 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.887 0.375 . . . . 0.0 110.714 176.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.799 ' HB3' HG11 ' A' 1286 ' ' VAL . 89.5 mt -72.14 -60.35 2.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -169.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1224 ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' 1220 ' ' SER . 4.1 pp . . . . . 0 N--CA 1.466 0.351 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.666 -170.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.201 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.36 -41.79 96.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.244 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.05 -37.5 84.18 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.029 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -61.75 -47.61 84.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.457 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 32.0 m -59.78 -43.25 94.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.085 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -68.12 -43.27 78.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.023 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1242 ' ' LEU . . . . . 0.405 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 56.4 tp -61.34 -45.88 92.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.098 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -61.69 -37.65 84.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.677 0.275 . . . . 0.0 111.307 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.85 -50.37 56.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.293 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.71 76.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.247 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1246 ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -60.88 -53.43 57.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.193 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1247 ' ' ALA . . . . . 0.419 ' HA ' HD21 ' A' 1250 ' ' ASN . . . -63.66 -35.43 80.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.761 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -60.51 -44.3 97.88 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.532 175.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 37.4 tp -72.84 -31.42 64.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.684 0.278 . . . . 0.0 110.857 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1250 ' ' ASN . . . . . 0.419 HD21 ' HA ' ' A' 1247 ' ' ALA . 94.2 m-20 -58.81 -47.71 83.83 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.425 0.631 . . . . 0.0 109.647 174.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' 1254 ' ' THR . 0.0 OUTLIER -70.47 -33.38 71.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.864 179.484 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1252 ' ' ALA . . . . . 0.782 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -62.66 -40.16 96.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.744 177.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1253 ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' 1257 ' ' VAL . . . -67.1 -38.09 85.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.217 0.532 . . . . 0.0 109.814 174.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1254 ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' 1251 ' ' GLN . 94.5 m -59.35 -33.96 71.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.978 177.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.744 ' HG3' ' HG2' ' A' 1273 ' ' ARG . 76.5 mm-40 -55.97 -51.74 66.65 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.769 0.319 . . . . 0.0 110.295 174.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.662 ' HB3' HD11 ' A' 1335 ' ' LEU . 39.1 mt -62.31 -34.7 77.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.723 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1257 ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' 1253 ' ' ALA . 93.1 t -61.04 -43.58 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 111.109 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -72.29 -33.66 67.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.17 0.51 . . . . 0.0 110.367 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1259 ' ' ALA . . . . . 0.742 ' HB1' HD22 ' A' 1267 ' ' LEU . . . -74.8 -25.34 58.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.164 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1260 ' ' SER . . . . . 0.585 ' O ' ' HG3' ' A' 1332 ' ' LYS . 88.5 p -49.3 -28.83 5.21 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -169.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -63.82 -16.54 61.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.842 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 108.22 82.93 1.48 Allowed Glycine 0 CA--C 1.496 -1.133 0 C-N-CA 120.841 -0.695 . . . . 0.0 114.029 168.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1263 ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' 1266 ' ' ASP . 73.4 p -143.63 114.43 5.6 Favored Pre-proline 0 N--CA 1.442 -0.871 0 CA-C-N 114.745 -0.727 . . . . 0.0 109.599 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.7 -48.58 18.65 Favored 'Trans proline' 0 N--CA 1.474 0.373 0 C-N-CA 123.512 2.808 . . . . 0.0 113.955 -171.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -70.37 -26.12 63.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.682 -175.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1266 ' ' ASP . . . . . 0.529 ' HB2' ' OG1' ' A' 1263 ' ' THR . 10.6 m-20 -80.28 -50.85 9.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.609 178.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.742 HD22 ' HB1' ' A' 1259 ' ' ALA . 3.1 mm? -51.36 -54.31 27.65 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.413 0.446 . . . . 0.0 111.212 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -60.84 -47.29 87.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.354 -177.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -61.56 -44.65 96.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.191 0.519 . . . . 0.0 110.052 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.36 -34.4 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.271 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1271 ' ' SER . . . . . 0.412 ' OG ' HG12 ' A' 1209 ' ' VAL . 27.5 m -64.03 -45.1 90.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.741 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -69.39 -37.92 80.01 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.533 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1273 ' ' ARG . . . . . 0.744 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 6.1 tpm_? -60.11 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.534 176.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1274 ' ' PHE . . . . . 0.782 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 82.2 t80 -63.45 -50.02 71.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.317 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.59 -33.03 85.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.639 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -71.09 -50.65 31.45 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.711 -0.288 . . . . 0.0 110.688 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.43 -33.13 75.16 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.032 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' 1309 ' ' SER . 75.0 t80 -57.86 -44.56 86.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.164 175.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1279 ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' 1283 ' ' GLU . 19.6 m -58.0 -48.6 79.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.889 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 25.3 m -61.57 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.156 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1281 ' ' PHE . . . . . 0.468 ' HE2' HG21 ' A' 1308 ' ' ILE . 86.0 t80 -61.55 -47.37 85.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.043 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.503 HD23 ' HB1' ' A' 1219 ' ' ALA . 23.2 tp -66.24 -37.91 86.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -176.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1283 ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' 1279 ' ' SER . 52.3 mt-10 -64.54 -38.47 91.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.746 0.307 . . . . 0.0 110.597 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.07 85.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.209 0.528 . . . . 0.0 110.139 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1285 ' ' GLY . . . . . 0.609 ' O ' ' HG3' ' A' 1288 ' ' MET . . . -64.07 -44.31 96.0 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.403 177.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.799 HG11 ' HB3' ' A' 1223 ' ' LEU . 23.0 m -73.17 -24.27 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 O-C-N 122.38 -0.483 . . . . 0.0 111.066 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.36 -45.76 86.32 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 173.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.611 ' SD ' HG21 ' A' 1301 ' ' VAL . 2.5 ppp? -73.53 -26.56 60.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.061 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -70.76 -29.24 65.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.017 0.437 . . . . 0.0 110.298 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -75.68 -25.51 67.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.605 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' 1288 ' ' MET . 5.3 pp0? -85.73 -11.38 53.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.745 0.273 . . . . 0.0 110.759 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1292 ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -69.43 113.44 16.94 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.171 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1293 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 1.7 Cg_endo -81.88 -17.96 8.0 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 123.287 2.658 . . . . 0.0 112.654 -174.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 9.4 m -97.9 131.44 44.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.923 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -67.61 -40.69 84.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -174.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -69.18 -44.19 72.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.492 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -57.04 -42.82 81.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.144 0.497 . . . . 0.0 110.176 175.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' 1302 ' ' VAL . 39.3 ttp180 -67.46 -40.29 85.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.869 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.28 90.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.978 0.418 . . . . 0.0 110.421 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -65.17 -44.51 88.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.205 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.611 HG21 ' SD ' ' A' 1288 ' ' MET . 14.4 p -66.64 -31.83 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.657 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' 1298 ' ' ARG . 77.1 t -65.37 -41.4 91.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.534 0.207 . . . . 0.0 111.247 177.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.0 p -65.55 -27.59 68.55 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.911 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1304 ' ' ASN . . . . . 0.722 ' HB2' HD23 ' A' 1349 ' ' LEU . 7.8 m120 -70.34 -42.17 72.25 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' 1301 ' ' VAL . 92.2 mt -59.94 -42.02 93.1 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.696 178.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -58.05 -46.78 84.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.608 0.242 . . . . 0.0 110.358 175.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -55.01 -48.42 67.5 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.619 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1308 ' ' ILE . . . . . 0.468 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -72.27 -37.12 57.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.395 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1309 ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 61.6 m -63.0 -49.6 74.03 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.886 0.374 . . . . 0.0 111.24 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1310 ' ' MET . . . . . 0.467 ' O ' ' HG3' ' A' 1314 ' ' LYS . 26.2 ptt? -67.28 -34.2 76.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.634 -177.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 50.1 m -69.19 -36.8 77.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.513 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 58.8 m -64.01 -38.68 91.97 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.551 0.691 . . . . 0.0 109.455 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.566 ' O ' ' HG ' ' A' 1317 ' ' LEU . 49.5 m -59.37 -50.42 74.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.308 175.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.607 ' HA ' HD12 ' A' 1317 ' ' LEU . 59.3 mttm -63.98 -35.29 80.2 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.272 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.567 HD22 ' HA ' ' A' 1339 ' ' ALA . 45.3 tp -63.52 -48.95 75.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.662 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1316 ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.06 -31.36 72.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' 1314 ' ' LYS . 96.2 mt -62.05 -38.03 87.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.618 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.51 -38.85 74.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.306 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.66 -35.59 81.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.06 0.457 . . . . 0.0 110.487 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1320 ' ' LYS . . . . . 0.723 ' HA ' HG21 ' A' 1209 ' ' VAL . 18.9 ttmm -55.43 -56.83 15.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.753 174.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.18 70.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.271 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.576 HD21 ' HA ' ' A' 1260 ' ' SER . 44.5 tp -76.84 -28.42 55.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.622 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 47.4 m -72.05 -30.28 65.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.815 0.341 . . . . 0.0 110.579 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 9.2 t -93.69 -20.97 19.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.075 0.464 . . . . 0.0 110.349 177.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 9.6 t0 -132.01 85.82 49.26 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.214 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -91.78 20.62 0.85 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.725 2.283 . . . . 0.0 111.55 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -108.28 -36.31 6.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.926 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.1 m -70.78 112.04 11.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.01 -34.16 71.52 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.872 2.381 . . . . 0.0 112.772 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -62.72 -25.71 68.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.121 0.486 . . . . 0.0 110.832 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.62 -32.42 47.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.083 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.2 mptm? -63.31 -48.76 76.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.108 0.48 . . . . 0.0 110.1 175.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 49.8 m -63.34 -40.59 97.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.713 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -64.73 -41.3 96.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1335 ' ' LEU . . . . . 0.662 HD11 ' HB3' ' A' 1256 ' ' LEU . 2.3 tm? -58.08 -52.33 65.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1336 ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -62.53 -35.83 80.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.133 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -68.39 -43.37 77.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.827 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.78 -39.78 91.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.435 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1339 ' ' ALA . . . . . 0.567 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -60.89 -40.73 94.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1340 ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' 1336 ' ' ALA . 34.5 mmt180 -68.52 -33.82 74.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.476 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -67.1 -42.16 85.07 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' 1338 ' ' ALA . 86.8 t -60.19 -51.4 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1343 ' ' THR . . . . . 0.499 ' HA ' HD12 ' A' 1346 ' ' ILE . 28.6 m -59.35 -41.14 88.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.841 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1344 ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' 1348 ' ' GLN . 22.2 t70 -58.85 -48.18 82.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.549 177.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 20.9 m -61.62 -36.5 80.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.633 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.636 ' O ' HG12 ' A' 1350 ' ' ILE . 89.1 mt -57.49 -51.2 72.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.923 174.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -58.36 -39.57 79.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.353 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1348 ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' 1344 ' ' ASP . 12.7 mm100 -66.12 -35.24 79.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.722 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.2 tm? -73.18 -45.04 58.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.636 HG12 ' O ' ' A' 1346 ' ' ILE . 44.0 mm -58.73 -48.73 85.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 91.0 m -57.68 -38.02 74.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.929 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 96.0 mmm -66.18 -29.19 69.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 110.815 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 21.6 m . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.585 -178.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1208 ' ' ASP . . . . . 0.675 ' HA ' ' HB3' ' A' 1211 ' ' ASN . 1.6 m-20 -63.94 -22.72 67.05 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -174.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.53 ' O ' ' HG ' ' A' 1213 ' ' LEU . 45.4 t -68.54 -38.98 79.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.419 0.628 . . . . 0.0 109.308 176.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.49 -33.71 31.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.318 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1211 ' ' ASN . . . . . 0.675 ' HB3' ' HA ' ' A' 1208 ' ' ASP . 31.9 t30 -56.69 -41.94 78.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.158 175.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1212 ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' 1216 ' ' VAL . . . -66.74 -36.1 81.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.727 177.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1213 ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' 1209 ' ' VAL . 66.2 mt -62.74 -41.49 99.22 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 60.5 ttp85 -58.3 -40.45 82.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.068 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -65.28 -51.13 62.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.485 ' HA ' ' CE2' ' A' 1278 ' ' PHE . 73.5 t -58.88 -50.82 78.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.75 -46.24 90.33 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.78 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.17 -45.51 88.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.452 0.168 . . . . 0.0 110.921 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1219 ' ' ALA . . . . . 0.493 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -62.4 -33.44 74.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.012 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 56.4 m -66.54 -42.58 86.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.809 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -78.68 -26.66 44.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.872 0.368 . . . . 0.0 111.043 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -76.43 -42.61 43.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.359 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.541 HD11 ' HG2' ' A' 1283 ' ' GLU . 40.9 mt -110.53 -52.69 2.76 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1224 ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' 1224 ' ' LEU . 55.7 tp . . . . . 0 N--CA 1.44 -0.948 0 CA-C-O 121.629 0.728 . . . . 0.0 110.963 -169.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 45.5 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.938 0.399 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -62.61 -38.66 91.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.403 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.73 92.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.428 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1239 ' ' GLN . . . . . 0.5 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 36.3 tt0 -62.27 -51.88 65.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.755 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 49.4 m -61.09 -32.38 72.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -71.51 -41.07 69.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.92 -42.13 88.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.983 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -58.05 -45.29 87.27 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.28 -46.35 61.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.668 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1245 ' ' ALA . . . . . 0.772 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -64.01 -36.3 83.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.075 -176.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1246 ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -62.12 -53.43 55.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.153 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.51 72.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.253 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.71 -46.24 92.48 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.825 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1249 ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' 1278 ' ' PHE . 29.5 tp -74.98 -29.84 61.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.65 0.262 . . . . 0.0 110.644 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.22 -44.64 92.29 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.323 0.582 . . . . 0.0 109.74 173.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.467 ' O ' ' HB ' ' A' 1254 ' ' THR . 24.7 tm0? -71.48 -38.3 71.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.844 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1252 ' ' ALA . . . . . 0.737 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -60.53 -44.0 96.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.136 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1253 ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' 1257 ' ' VAL . . . -65.17 -39.12 92.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.869 0.366 . . . . 0.0 110.155 176.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1254 ' ' THR . . . . . 0.467 ' HB ' ' O ' ' A' 1251 ' ' GLN . 52.0 m -54.37 -41.25 68.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.884 175.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' 1251 ' ' GLN . 8.8 mm-40 -59.19 -45.34 91.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.558 ' HB3' HD21 ' A' 1335 ' ' LEU . 26.7 mt -64.73 -37.04 86.24 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 121.111 -0.235 . . . . 0.0 110.711 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1257 ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' 1253 ' ' ALA . 64.7 t -57.96 -49.87 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.855 0.36 . . . . 0.0 110.554 177.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -66.81 -43.91 82.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.297 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1259 ' ' ALA . . . . . 0.57 ' HB1' ' HA ' ' A' 1267 ' ' LEU . . . -59.65 -39.99 86.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.095 -176.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1260 ' ' SER . . . . . 0.459 ' HB3' HD13 ' A' 1335 ' ' LEU . 97.8 p -58.35 -34.06 70.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.115 0.484 . . . . 0.0 110.591 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -102.45 21.42 15.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.732 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -125.68 -99.2 1.17 Allowed Glycine 0 N--CA 1.436 -1.317 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 43.3 p -137.49 153.37 74.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 120.514 0.197 . . . . 0.0 110.988 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -59.07 -29.34 90.34 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.671 2.247 . . . . 0.0 111.643 174.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.34 -45.65 83.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.469 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.04 -43.28 83.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.453 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.57 ' HA ' ' HB1' ' A' 1259 ' ' ALA . 42.1 tp -56.14 -45.99 79.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.391 178.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1268 ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' 1271 ' ' SER . . . -61.11 -49.6 76.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -63.95 -36.75 85.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.905 0.384 . . . . 0.0 110.388 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.63 86.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1271 ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' 1268 ' ' ALA . 37.5 m -55.76 -43.46 76.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.691 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.57 -38.42 96.27 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.249 -176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -72.1 -43.77 64.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.621 0.248 . . . . 0.0 110.508 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1274 ' ' PHE . . . . . 0.737 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 83.8 t80 -55.76 -50.82 69.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.426 -176.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.72 -35.55 92.17 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.408 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.74 -48.94 57.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.682 0.277 . . . . 0.0 110.932 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -33.1 74.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.093 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' 1216 ' ' VAL . 72.5 t80 -59.64 -44.76 93.39 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.711 0.291 . . . . 0.0 110.265 175.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1279 ' ' SER . . . . . 0.557 ' O ' ' HG3' ' A' 1283 ' ' GLU . 47.1 m -58.27 -47.45 83.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.42 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 27.3 m -60.33 -44.51 95.42 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1281 ' ' PHE . . . . . 0.772 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 85.3 t80 -61.86 -45.72 92.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.979 178.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' 1286 ' ' VAL . 31.2 tp -66.29 -41.65 89.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.79 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1283 ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' 1279 ' ' SER . 50.3 mt-10 -58.37 -39.54 79.85 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.764 0.316 . . . . 0.0 110.593 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -70.25 -42.14 72.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.772 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1285 ' ' GLY . . . . . 0.604 ' O ' ' HG3' ' A' 1288 ' ' MET . . . -61.93 -49.65 73.46 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.661 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' 1282 ' ' LEU . 10.0 t -69.15 -24.44 28.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.156 0.503 . . . . 0.0 110.007 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1287 ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' 1291 ' ' GLN . 35.5 tt0 -65.94 -46.89 76.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.245 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.733 ' SD ' HG21 ' A' 1301 ' ' VAL . 3.8 ppp? -70.21 -28.82 65.59 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.81 73.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.113 0.482 . . . . 0.0 109.928 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -72.78 -28.44 67.07 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.964 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' 1287 ' ' GLU . 81.3 mm-40 -62.15 -44.96 95.46 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 175.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1292 ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -62.52 116.3 22.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.499 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1293 ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 5.8 Cg_exo -79.73 -32.52 1.53 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.16 2.573 . . . . 0.0 112.679 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 35.3 m -77.89 134.47 37.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.825 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -66.05 -41.04 91.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.378 -176.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.02 -35.71 81.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.608 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -73.88 -43.03 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.901 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.528 ' O ' HG23 ' A' 1302 ' ' VAL . 36.6 ttm180 -64.13 -52.92 56.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.285 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.82 67.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.372 -177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -64.74 -52.96 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.431 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.733 HG21 ' SD ' ' A' 1288 ' ' MET . 10.2 p -70.23 -29.12 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.167 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.552 ' HA ' HD12 ' A' 1305 ' ' LEU . 78.7 t -64.38 -31.36 53.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.161 0.505 . . . . 0.0 110.46 175.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 49.5 m -68.09 -37.34 81.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.253 175.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1304 ' ' ASN . . . . . 0.485 ' OD1' ' HA ' ' A' 1301 ' ' VAL . 9.9 m120 -62.94 -44.51 95.86 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.597 HD23 HD11 ' A' 1349 ' ' LEU . 96.0 mt -55.95 -51.3 68.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.322 -178.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -64.29 -38.93 92.8 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.44 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1307 ' ' GLY . . . . . 0.435 ' O ' ' HG3' ' A' 1310 ' ' MET . . . -57.6 -44.79 93.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.733 -178.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1308 ' ' ILE . . . . . 0.443 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -77.89 -36.54 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 122.506 -0.408 . . . . 0.0 110.363 178.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1309 ' ' SER . . . . . 0.424 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 56.3 m -62.22 -38.78 90.47 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.883 0.373 . . . . 0.0 111.21 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1310 ' ' MET . . . . . 0.79 ' O ' ' HD3' ' A' 1314 ' ' LYS . 0.0 OUTLIER -74.03 -36.19 64.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.021 178.413 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 70.7 m -61.19 -43.19 99.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.658 0.265 . . . . 0.0 110.983 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 9.9 p -69.0 -37.37 78.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.335 0.588 . . . . 0.0 110.324 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.414 ' O ' ' HG ' ' A' 1317 ' ' LEU . 42.1 t -60.89 -52.78 63.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.515 176.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.79 ' HD3' ' O ' ' A' 1310 ' ' MET . 3.6 mptp? -64.84 -29.85 70.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.947 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.653 HD22 ' HA ' ' A' 1339 ' ' ALA . 19.1 tp -62.48 -51.95 65.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 111.038 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.487 ' O ' ' HG3' ' A' 1320 ' ' LYS . 81.7 mt -60.88 -26.66 67.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.398 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' 1314 ' ' LYS . 96.8 mt -60.35 -35.26 75.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -71.28 -33.38 69.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.949 0.404 . . . . 0.0 110.242 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.95 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.692 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1320 ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' 1316 ' ' LEU . 41.3 mtpt -58.55 -54.04 51.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.04 177.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -67.0 -33.18 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.196 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.435 HD11 ' NZ ' ' A' 1332 ' ' LYS . 34.7 tp -70.15 -23.75 63.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.06 -177.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 50.5 m -78.14 -23.28 47.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.972 0.415 . . . . 0.0 110.178 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 35.7 m -83.01 -52.14 6.93 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.626 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1325 ' ' ASP . . . . . 0.402 ' HB3' ' OG ' ' A' 1328 ' ' SER . 0.5 OUTLIER -123.16 88.46 51.14 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.941 176.428 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -76.24 -15.48 18.08 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 123.069 2.513 . . . . 0.0 113.549 -171.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -91.37 2.33 56.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1328 ' ' SER . . . . . 0.402 ' OG ' ' HB3' ' A' 1325 ' ' ASP . 4.8 m -72.94 112.22 14.52 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.134 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -60.28 -53.15 3.2 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.461 2.774 . . . . 0.0 113.75 -174.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -70.93 -18.12 62.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.14 0.495 . . . . 0.0 110.909 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 15.2 tp -70.99 -25.27 62.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.764 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.435 ' NZ ' HD11 ' A' 1322 ' ' LEU . 4.9 mptp? -71.01 -50.89 29.19 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.079 173.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 5.1 p -64.44 -35.06 79.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.501 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.27 -44.06 97.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.877 0.37 . . . . 0.0 110.278 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1335 ' ' LEU . . . . . 0.558 HD21 ' HB3' ' A' 1256 ' ' LEU . 7.0 tt -66.19 -45.09 82.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.876 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -59.09 -41.64 88.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.989 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.75 78.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' 1342 ' ' VAL . . . -68.47 -41.23 80.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.777 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1339 ' ' ALA . . . . . 0.653 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -64.89 -35.49 81.31 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.165 0.507 . . . . 0.0 110.249 177.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -64.13 -41.7 97.11 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.88 175.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.47 96.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.673 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' 1338 ' ' ALA . 61.4 t -56.56 -50.09 74.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.853 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 39.5 m -58.82 -45.53 89.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.315 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -64.07 -38.68 91.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.476 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 73.8 m -68.73 -38.3 80.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.724 0.297 . . . . 0.0 110.962 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' 1342 ' ' VAL . 92.3 mt -59.15 -49.23 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 173.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -56.01 -45.22 79.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.755 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -55.93 -41.86 75.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.804 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.597 HD11 HD23 ' A' 1305 ' ' LEU . 0.5 OUTLIER -67.25 -39.71 86.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.563 HD11 ' HB2' ' A' 1246 ' ' ALA . 38.5 mm -71.19 -38.26 69.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.202 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 15.6 m -62.81 -30.54 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.195 0.521 . . . . 0.0 110.573 177.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 23.9 mmt -80.14 -46.04 17.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.139 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1353 ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 40.8 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.148 0.499 . . . . 0.0 111.09 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.413 0.149 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -40.56 98.06 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.446 0.165 . . . . 0.0 111.253 177.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.583 ' CG2' ' HG2' ' A' 1320 ' ' LYS . 16.0 m -73.75 -30.16 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.955 0.407 . . . . 0.0 110.106 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -73.81 -44.47 55.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.555 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.36 -39.84 88.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.129 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.8 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.628 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1213 ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' 1209 ' ' VAL . 41.3 mt -63.07 -38.22 90.32 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.912 177.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -67.03 -41.12 87.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.455 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -55.96 -45.0 79.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.509 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.566 HG13 ' CE2' ' A' 1278 ' ' PHE . 47.8 t -70.16 -40.23 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.426 176.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.34 -45.72 92.6 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.12 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -65.56 -44.27 87.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.609 -0.348 . . . . 0.0 110.535 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1219 ' ' ALA . . . . . 0.482 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -63.34 -42.71 98.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.597 -177.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1220 ' ' SER . . . . . 0.458 ' HA ' HD23 ' A' 1224 ' ' LEU . 8.4 p -63.74 -37.62 88.06 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.211 -0.196 . . . . 0.0 111.458 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -78.63 -31.71 47.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.014 0.435 . . . . 0.0 111.576 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -71.96 -42.85 66.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.912 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.609 ' HB3' ' CG1' ' A' 1286 ' ' VAL . 48.8 mt -98.22 -59.78 1.68 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.592 -171.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1224 ' ' LEU . . . . . 0.529 HD12 HG13 ' A' 1302 ' ' VAL . 3.3 mm? . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.121 0.486 . . . . 0.0 109.875 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 25.0 tp60 . . . . . 0 C--O 1.233 0.232 0 N-CA-C 111.387 0.143 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.62 -35.77 81.79 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.92 0.391 . . . . 0.0 110.499 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -69.83 -47.82 61.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.863 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.8 -47.39 82.72 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.631 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 9.0 t -61.38 -36.85 81.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.958 0.408 . . . . 0.0 110.352 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -72.79 -46.66 52.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.553 0.692 . . . . 0.0 109.649 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1242 ' ' LEU . . . . . 0.441 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 48.8 tp -64.04 -41.67 97.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.082 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -64.77 -38.24 90.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.156 0.503 . . . . 0.0 110.035 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.71 -48.65 76.24 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.099 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.56 95.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.651 -177.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1246 ' ' ALA . . . . . 0.454 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -56.66 -51.77 67.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.926 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.2 75.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.522 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.69 -39.39 77.52 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.152 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.3 tp -73.39 -30.09 63.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.56 0.219 . . . . 0.0 110.651 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -56.46 -46.6 80.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.05 0.452 . . . . 0.0 110.094 174.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.556 ' O ' ' HG2' ' A' 1255 ' ' GLU . 51.3 tp60 -73.15 -29.64 63.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.412 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1252 ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -60.67 -45.03 95.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.865 0.364 . . . . 0.0 110.413 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.71 80.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.459 0.647 . . . . 0.0 109.905 174.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1254 ' ' THR . . . . . 0.513 ' HB ' ' O ' ' A' 1251 ' ' GLN . 43.6 m -58.89 -40.08 83.36 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.148 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' 1251 ' ' GLN . 57.2 mm-40 -60.57 -41.57 94.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.524 ' HB3' HD21 ' A' 1335 ' ' LEU . 34.3 mt -63.74 -37.02 85.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.61 0.243 . . . . 0.0 111.05 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 53.2 t -64.29 -46.21 93.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.04 0.447 . . . . 0.0 110.418 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -63.62 -33.99 76.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.299 0.571 . . . . 0.0 110.456 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -69.62 -30.37 68.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.078 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1260 ' ' SER . . . . . 0.412 ' HB3' ' HG3' ' A' 1332 ' ' LYS . 45.5 m -60.51 -36.57 78.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.163 0.506 . . . . 0.0 110.483 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -99.95 20.23 14.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.241 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.19 -97.63 1.54 Allowed Glycine 0 N--CA 1.439 -1.142 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 43.0 p -145.66 155.24 52.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.738 0.269 . . . . 0.0 110.897 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1264 ' ' PRO . . . . . 0.794 ' HA ' HD12 ' A' 1267 ' ' LEU . 9.3 Cg_endo -55.07 -34.99 89.32 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.008 2.472 . . . . 0.0 112.032 172.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -72.07 -33.31 67.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.709 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.11 -39.6 71.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' 1264 ' ' PRO . 35.1 mt -53.95 -48.37 70.33 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.591 172.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.69 67.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.386 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -63.45 -37.15 86.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 0.0 110.271 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.87 78.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.769 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1271 ' ' SER . . . . . 0.522 ' OG ' HG12 ' A' 1209 ' ' VAL . 21.0 m -64.98 -40.77 95.46 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.97 -38.06 95.51 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.077 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1273 ' ' ARG . . . . . 0.544 ' HE ' ' HA ' ' A' 1273 ' ' ARG . 0.3 OUTLIER -71.66 -50.86 26.63 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 177.547 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1274 ' ' PHE . . . . . 0.591 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 84.0 t80 -56.95 -51.3 69.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.401 -177.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.32 -44.05 98.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.152 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1276 ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' A' 1276 ' ' GLN . 6.7 tp60 -72.12 -39.65 68.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -176.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.61 -38.49 77.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.296 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.566 ' CE2' HG13 ' A' 1216 ' ' VAL . 63.8 t80 -55.16 -39.58 69.68 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.334 177.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 14.3 t -53.69 -49.86 67.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.973 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 31.7 m -63.78 -37.97 89.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.261 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1281 ' ' PHE . . . . . 0.454 ' HE2' HG21 ' A' 1308 ' ' ILE . 85.2 t80 -63.21 -50.62 69.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.92 177.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.482 HD23 ' HB1' ' A' 1219 ' ' ALA . 26.0 tp -65.24 -36.87 85.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 -176.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1283 ' ' GLU . . . . . 0.47 ' O ' HG22 ' A' 1286 ' ' VAL . 43.6 mt-10 -65.32 -27.63 68.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -76.06 -25.53 55.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.209 0.528 . . . . 0.0 110.428 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -66.5 -34.54 88.02 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.644 -0.707 . . . . 0.0 113.014 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.609 ' CG1' ' HB3' ' A' 1223 ' ' LEU . 34.2 m -72.48 -23.34 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.872 0.336 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.44 -36.41 84.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.539 ' O ' ' HG2' ' A' 1291 ' ' GLN . 68.0 mmm -72.18 -50.33 28.56 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.577 176.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1289 ' ' ALA . . . . . 0.402 ' HA ' HG11 ' A' 1301 ' ' VAL . . . -63.28 -33.61 75.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.254 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -77.34 -22.7 69.94 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.963 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' 1288 ' ' MET . 13.3 pt20 -89.8 0.03 57.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.078 0.466 . . . . 0.0 110.216 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1292 ' ' ALA . . . . . 0.45 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -93.25 111.42 51.86 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.827 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1293 ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.5 Cg_exo -74.49 -43.09 0.52 Allowed 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.212 2.608 . . . . 0.0 112.666 -176.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 9.4 m -72.98 129.18 37.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.107 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -61.14 -37.62 83.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.322 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -66.11 -44.41 84.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.006 0.431 . . . . 0.0 110.389 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.52 -41.23 93.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.156 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' 1302 ' ' VAL . 40.9 ttm180 -62.87 -43.49 98.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.321 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -62.97 -38.35 90.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.532 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -61.0 -48.64 80.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.283 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.402 HG11 ' HA ' ' A' 1289 ' ' ALA . 12.3 p -68.53 -32.74 56.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 120.682 0.277 . . . . 0.0 110.709 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.529 HG13 HD12 ' A' 1224 ' ' LEU . 42.9 t -67.82 -31.54 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.395 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 55.7 m -54.82 -40.99 70.13 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.723 0.297 . . . . 0.0 111.25 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1304 ' ' ASN . . . . . 0.804 ' HB2' HD23 ' A' 1349 ' ' LEU . 2.6 m-80 -73.57 -36.39 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' 1302 ' ' VAL . 97.4 mt -59.64 -48.2 82.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.313 178.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -62.03 -46.48 88.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.964 175.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.17 -49.46 59.52 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.335 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1308 ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' 1308 ' ' ILE . 0.0 OUTLIER -74.21 -35.48 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 110.464 -0.198 . . . . 0.0 110.464 -178.173 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1309 ' ' SER . . . . . 0.542 ' HA ' ' CZ ' ' A' 1278 ' ' PHE . 28.1 t -66.69 -39.29 88.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.055 0.455 . . . . 0.0 110.887 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1310 ' ' MET . . . . . 0.424 ' O ' ' HG3' ' A' 1314 ' ' LYS . 54.9 mtt -77.47 -39.89 44.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.119 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 64.3 m -65.3 -35.46 81.07 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.061 -0.255 . . . . 0.0 111.2 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 10.5 p -68.12 -38.14 81.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.138 0.494 . . . . 0.0 110.086 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.552 ' O ' ' HG ' ' A' 1317 ' ' LEU . 71.0 m -57.78 -50.6 72.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.149 173.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.51 ' HA ' HD12 ' A' 1317 ' ' LEU . 57.5 mttm -65.0 -31.97 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.043 -178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.31 -49.04 73.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.068 0.461 . . . . 0.0 110.608 176.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' 1320 ' ' LYS . 81.5 mt -66.23 -30.31 70.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' 1313 ' ' SER . 93.0 mt -61.18 -41.37 96.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 110.476 175.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -65.05 -36.4 84.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.322 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.88 82.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.959 178.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1320 ' ' LYS . . . . . 0.583 ' HG2' ' CG2' ' A' 1209 ' ' VAL . 5.7 mtpm? -57.33 -55.24 37.28 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.405 0.621 . . . . 0.0 110.071 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.47 87.6 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.163 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1322 ' ' LEU . . . . . . . . . . . . . 23.4 tp -70.17 -27.42 64.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.139 -177.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1323 ' ' SER . . . . . 0.495 ' HA ' ' HB3' ' A' 1264 ' ' PRO . 50.3 m -73.77 -28.75 61.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.863 0.363 . . . . 0.0 110.578 176.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 34.7 p -88.21 -30.52 19.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 110.97 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 23.2 t0 -134.28 86.06 37.03 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.941 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -87.77 10.72 3.38 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 122.592 2.194 . . . . 0.0 112.491 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -103.9 -5.11 22.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.128 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 67.3 m -85.68 113.41 51.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.057 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.96 -43.08 16.78 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.784 2.323 . . . . 0.0 112.631 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 6.1 t30 -64.49 -30.63 71.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.008 0.432 . . . . 0.0 110.637 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1331 ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' 1331 ' ' LEU . 12.1 tp -66.59 -33.88 76.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.55 -178.257 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.412 ' HG3' ' HB3' ' A' 1260 ' ' SER . 2.4 mptm? -65.14 -46.22 81.79 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.113 0.482 . . . . 0.0 110.298 173.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 19.2 m -66.13 -37.08 84.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.09 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -64.71 -45.36 86.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1335 ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.0 tt -60.56 -44.09 96.54 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.07 77.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.029 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -70.24 -35.3 73.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 110.783 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' 1342 ' ' VAL . . . -72.23 -40.42 67.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.469 176.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -61.83 -36.97 82.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.1 0.476 . . . . 0.0 110.461 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -58.68 -46.39 87.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.942 173.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.4 98.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.836 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' 1346 ' ' ILE . 85.0 t -61.87 -53.02 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.515 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1343 ' ' THR . . . . . 0.503 ' HA ' HD12 ' A' 1346 ' ' ILE . 27.4 m -61.86 -38.84 89.75 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.046 0.45 . . . . 0.0 110.688 -177.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.93 -50.25 74.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.825 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 54.0 m -68.35 -29.73 68.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.387 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.608 ' O ' HG12 ' A' 1350 ' ' ILE . 95.1 mt -58.73 -54.83 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.094 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 174.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -68.03 -38.75 82.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.846 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -57.03 -37.95 72.47 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.037 0.446 . . . . 0.0 110.644 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -67.97 -46.78 70.43 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.387 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' 1346 ' ' ILE . 40.9 mm -61.08 -44.66 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.295 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 87.4 m -49.61 -50.31 43.26 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.642 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 18.2 ptp -80.54 -27.37 37.6 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.411 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 98.7 m . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.536 0.208 . . . . 0.0 111.538 -178.973 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.41 -42.22 66.79 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.806 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 33.1 m -63.7 -28.82 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.034 0.445 . . . . 0.0 111.042 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -82.91 -45.02 14.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.675 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -60.94 -33.06 72.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.11 98.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.342 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1213 ' ' LEU . . . . . 0.553 HD11 ' HD2' ' A' 1320 ' ' LYS . 42.7 mt -66.55 -32.49 73.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 178.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -64.89 -48.59 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.982 175.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -59.23 -47.96 83.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.447 HG13 ' CE2' ' A' 1278 ' ' PHE . 97.2 t -62.0 -36.88 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.015 0.436 . . . . 0.0 110.147 176.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.75 -45.49 94.24 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.561 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -55.21 -49.91 70.74 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.15 0.5 . . . . 0.0 110.32 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1219 ' ' ALA . . . . . 0.78 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -64.2 -40.58 96.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.916 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1220 ' ' SER . . . . . 0.559 ' O ' ' HB2' ' A' 1224 ' ' LEU . 50.0 m -67.17 -32.21 73.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.929 0.395 . . . . 0.0 111.03 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 84.6 tttt -76.75 -43.85 35.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.889 0.376 . . . . 0.0 110.814 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -69.03 -53.29 21.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.157 0.503 . . . . 0.0 111.559 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.777 ' HB3' HG21 ' A' 1286 ' ' VAL . 56.5 mt -91.24 -42.79 10.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.746 -165.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1224 ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' 1220 ' ' SER . 3.9 mm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.561 0.696 . . . . 0.0 110.632 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--O 1.227 -0.079 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.89 -38.56 79.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.168 0.508 . . . . 0.0 110.29 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.59 76.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.066 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -62.93 -42.72 99.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.661 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 22.6 m -58.1 -36.28 72.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.195 0.522 . . . . 0.0 110.628 176.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -67.29 -36.15 80.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.316 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1242 ' ' LEU . . . . . 0.584 HD22 ' HB1' ' A' 1284 ' ' ALA . 3.7 mm? -60.29 -36.33 77.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.097 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -65.69 -47.41 75.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.99 0.424 . . . . 0.0 110.583 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.46 -44.37 78.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.774 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1245 ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -67.55 -36.96 81.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.59 -177.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.19 95.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.208 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.17 86.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.743 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -64.25 -49.47 65.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.082 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1249 ' ' LEU . . . . . 0.447 HD12 ' HB3' ' A' 1252 ' ' ALA . 34.4 tp -70.68 -31.32 68.17 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.827 -0.22 . . . . 0.0 110.818 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -52.71 -51.29 61.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.324 0.583 . . . . 0.0 109.726 173.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.473 ' O ' ' HG3' ' A' 1255 ' ' GLU . 52.1 tt0 -69.51 -36.4 76.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.766 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1252 ' ' ALA . . . . . 0.681 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -57.76 -47.53 82.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.969 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1253 ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' 1257 ' ' VAL . . . -64.98 -40.26 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 0.0 110.223 175.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.4 m -55.59 -40.75 72.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.161 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' 1251 ' ' GLN . 36.0 mt-10 -67.64 -30.25 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.297 -178.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' 1256 ' ' LEU . 9.4 mt -70.1 -37.21 75.32 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.658 0.266 . . . . 0.0 110.306 173.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1257 ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' 1253 ' ' ALA . 21.9 t -61.99 -56.98 14.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.765 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -65.17 -30.98 71.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.337 -176.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.53 69.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.905 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1260 ' ' SER . . . . . 0.559 ' HB2' ' HG3' ' A' 1332 ' ' LYS . 95.9 p -65.26 -27.53 68.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.874 0.368 . . . . 0.0 111.284 -176.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -101.17 11.91 38.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -119.92 -69.39 0.31 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.327 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1263 ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 2.0 t -164.95 142.85 5.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.825 0.345 . . . . 0.0 111.082 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1264 ' ' PRO . . . . . 0.685 ' HA ' HD12 ' A' 1267 ' ' LEU . 54.2 Cg_exo -55.51 -24.66 45.38 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.203 2.602 . . . . 0.0 112.26 175.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -69.49 -30.6 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.458 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 26.1 t0 -80.42 -31.13 37.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.76 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' 1264 ' ' PRO . 79.2 mt -57.2 -35.71 69.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.35 172.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1268 ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' 1271 ' ' SER . . . -66.69 -48.57 68.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.624 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -57.92 -45.36 86.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.207 176.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.63 -35.53 80.83 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.137 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1271 ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' 1268 ' ' ALA . 36.0 m -57.39 -49.74 75.21 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.981 175.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -66.67 -41.78 93.69 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.331 -0.937 . . . . 0.0 111.656 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1273 ' ' ARG . . . . . 0.436 ' HG2' ' OE2' ' A' 1255 ' ' GLU . 15.7 tpp180 -59.83 -52.41 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.33 . . . . 0.0 111.021 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1274 ' ' PHE . . . . . 0.681 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 74.3 t80 -58.24 -51.33 70.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.235 -176.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.5 -34.66 90.54 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.773 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.15 -52.34 19.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.778 0.323 . . . . 0.0 110.761 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -32.07 72.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.099 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.447 ' CE2' HG13 ' A' 1216 ' ' VAL . 76.7 t80 -60.63 -42.21 96.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.725 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 50.2 m -58.47 -40.41 82.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.835 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 41.6 m -69.1 -41.3 77.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1281 ' ' PHE . . . . . 0.481 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 90.7 t80 -65.25 -45.86 82.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.192 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.78 HD23 ' HB1' ' A' 1219 ' ' ALA . 27.4 tp -63.44 -42.38 98.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.263 -175.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1283 ' ' GLU . . . . . 0.496 ' HG2' HD11 ' A' 1223 ' ' LEU . 43.2 mt-10 -61.82 -33.37 74.02 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.756 0.312 . . . . 0.0 111.03 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1284 ' ' ALA . . . . . 0.584 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -63.94 -41.57 97.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -64.91 -37.26 94.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.233 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.777 HG21 ' HB3' ' A' 1223 ' ' LEU . 56.4 t -65.61 -33.24 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.595 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1287 ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' 1291 ' ' GLN . 6.3 tp10 -58.08 -46.33 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.435 ' CE ' ' HB3' ' A' 1353 ' ' CYS . 57.1 mtp -64.19 -42.65 96.56 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.658 177.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -57.56 -33.4 68.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.32 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -76.85 -29.1 57.83 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.174 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' 1287 ' ' GLU . 82.4 mm-40 -76.03 -16.42 59.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.763 0.316 . . . . 0.0 110.824 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1292 ' ' ALA . . . . . 0.469 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -60.92 136.02 93.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1293 ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 32.1 Cg_exo -58.89 -51.4 6.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.939 2.426 . . . . 0.0 112.705 -177.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 40.3 t -106.56 153.59 22.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -60.95 -28.23 68.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.972 174.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -69.14 -29.74 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.243 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1297 ' ' ASP . . . . . 0.407 ' HB2' ' HB1' ' A' 1292 ' ' ALA . 65.9 m-20 -80.19 -35.83 35.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.542 175.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' 1302 ' ' VAL . 38.5 ttp180 -54.46 -50.81 66.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.101 173.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.02 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.254 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -63.15 -45.42 91.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.729 0.299 . . . . 0.0 110.471 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.43 ' O ' ' HG ' ' A' 1305 ' ' LEU . 21.4 t -68.58 -40.74 82.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 110.414 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.538 ' HA ' HD12 ' A' 1305 ' ' LEU . 98.3 t -67.48 -35.07 72.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.737 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 6.1 p -69.38 -29.31 67.05 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.151 -0.343 . . . . 0.0 110.954 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -67.04 -44.14 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 172.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' 1302 ' ' VAL . 93.8 mt -59.4 -36.28 75.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -55.11 -42.51 73.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.774 -0.193 . . . . 0.0 111.083 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -58.39 -43.88 95.51 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.511 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.67 -36.28 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 122.685 -0.303 . . . . 0.0 110.506 -178.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 50.5 m -63.27 -51.35 66.48 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.761 0.315 . . . . 0.0 110.987 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1310 ' ' MET . . . . . 0.578 ' HB3' ' HE2' ' A' 1314 ' ' LYS . 44.1 mtt -60.46 -45.47 93.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.8 m -60.49 -37.15 80.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 63.9 m -61.99 -45.05 95.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.528 0.68 . . . . 0.0 110.157 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.502 ' O ' ' HG ' ' A' 1317 ' ' LEU . 43.4 t -59.26 -52.74 64.37 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.51 176.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.578 ' HE2' ' HB3' ' A' 1310 ' ' MET . 56.8 mttm -65.55 -30.91 71.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.624 -175.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' 1339 ' ' ALA . 27.8 tp -64.84 -47.86 76.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.939 0.4 . . . . 0.0 110.392 174.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.66 ' O ' ' HG3' ' A' 1320 ' ' LYS . 77.5 mt -60.18 -35.32 75.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.636 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' 1313 ' ' SER . 93.3 mt -59.71 -40.5 88.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.729 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -68.77 -36.97 78.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.22 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.07 98.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.616 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1320 ' ' LYS . . . . . 0.806 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 44.6 mtpt -57.41 -50.54 72.67 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.236 0.541 . . . . 0.0 110.338 176.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.98 92.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.916 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.52 HD11 ' HE2' ' A' 1332 ' ' LYS . 26.7 tp -73.44 -32.99 64.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.225 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 43.6 m -71.19 -14.37 62.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.024 0.44 . . . . 0.0 110.659 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 9.5 p -115.83 2.2 13.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 30.4 t70 -155.54 63.91 3.8 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.342 0.591 . . . . 0.0 109.406 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -84.94 -3.85 9.73 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.892 2.395 . . . . 0.0 113.912 -169.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -91.33 3.23 55.4 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.931 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.6 m -98.83 106.35 36.85 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.715 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1329 ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 23.3 Cg_exo -64.37 -30.82 62.98 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.066 2.511 . . . . 0.0 112.375 -176.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -70.73 -27.51 64.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.776 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1331 ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' 1322 ' ' LEU . 17.1 tp -72.37 -27.77 62.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.126 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.559 ' HG3' ' HB2' ' A' 1260 ' ' SER . 1.1 mptm? -65.35 -44.91 86.2 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 171.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 14.3 m -58.55 -45.49 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.585 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -63.05 -45.36 92.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.031 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.14 -44.18 95.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.17 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.91 86.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.86 74.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.71 -42.61 90.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.261 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1339 ' ' ALA . . . . . 0.513 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -65.05 -34.94 79.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.743 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -60.66 -43.08 98.06 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.793 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.11 -39.66 94.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.933 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' 1346 ' ' ILE . 72.6 t -65.56 -52.74 47.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.559 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1343 ' ' THR . . . . . 0.484 ' HA ' HD12 ' A' 1346 ' ' ILE . 19.7 m -60.75 -40.77 93.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.722 -177.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.62 -40.2 96.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.58 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.2 m -71.65 -31.09 66.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.28 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' 1342 ' ' VAL . 81.8 mt -60.7 -53.43 49.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 121.254 0.55 . . . . 0.0 109.779 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -66.72 -39.43 87.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.635 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -56.83 -43.74 81.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.33 -47.86 82.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.479 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.464 HD12 ' HB3' ' A' 1242 ' ' LEU . 35.3 mm -65.16 -48.55 83.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.003 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 36.1 m -56.28 -37.51 69.93 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.914 0.387 . . . . 0.0 111.252 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.1 tpt -79.94 -48.03 14.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.287 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1353 ' ' CYS . . . . . 0.435 ' HB3' ' CE ' ' A' 1288 ' ' MET . 73.1 m . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.23 -33.94 77.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.553 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 18.6 m -75.75 -29.67 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.765 -178.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.37 -40.43 21.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.686 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.05 -37.11 86.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.306 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.19 79.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.486 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1213 ' ' LEU . . . . . 0.498 HD11 ' HE2' ' A' 1320 ' ' LYS . 16.0 mt -67.23 -37.7 84.0 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.923 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -62.34 -44.89 95.43 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -58.45 -55.48 34.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.085 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.504 HG13 ' CE2' ' A' 1278 ' ' PHE . 62.0 t -65.7 -47.77 84.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.388 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.58 -48.54 72.0 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.182 -0.533 . . . . 0.0 113.055 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1218 ' ' ASP . . . . . 0.599 ' O ' ' HG2' ' A' 1222 ' ' ARG . 32.6 t70 -69.29 -33.98 74.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.935 0.368 . . . . 0.0 110.516 -177.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1219 ' ' ALA . . . . . 0.425 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -62.84 -44.1 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 177.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1220 ' ' SER . . . . . 0.552 ' O ' HD23 ' A' 1224 ' ' LEU . 27.4 m -63.69 -25.6 68.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.995 0.426 . . . . 0.0 110.568 178.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1221 ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' 1218 ' ' ASP . 24.6 mtpp -78.8 -56.3 4.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.029 176.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1222 ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' 1218 ' ' ASP . 24.7 mmt180 -65.38 -48.45 72.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.235 0.54 . . . . 0.0 111.619 -175.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.689 ' HB3' HG21 ' A' 1286 ' ' VAL . 88.4 mt -79.69 4.85 14.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.329 -0.85 . . . . 0.0 113.289 -163.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1224 ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' 1220 ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 167.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 121.092 0.472 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.72 -47.04 85.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.985 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -70.02 -21.34 63.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.208 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -62.18 -45.31 93.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.719 -0.218 . . . . 0.0 110.813 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 7.2 m -60.92 -31.9 71.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.458 0.646 . . . . 0.0 110.298 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -80.14 -47.97 13.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.068 -175.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1242 ' ' LEU . . . . . 0.5 ' HB3' HD12 ' A' 1350 ' ' ILE . 3.5 mm? -63.65 -32.77 74.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.185 177.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -57.98 -50.8 72.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.824 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -66.09 -44.18 85.15 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.714 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1245 ' ' ALA . . . . . 0.501 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -61.53 -46.18 91.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.855 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1246 ' ' ALA . . . . . 0.561 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -62.96 -52.01 64.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.036 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.53 81.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.195 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.17 -43.25 95.76 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.25 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 28.8 tp -69.66 -31.48 69.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.748 0.309 . . . . 0.0 110.663 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -61.85 -43.3 99.12 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.029 0.443 . . . . 0.0 110.513 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -71.95 -35.08 69.49 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1252 ' ' ALA . . . . . 0.82 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -60.6 -41.27 94.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.927 177.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1253 ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' 1257 ' ' VAL . . . -65.81 -38.69 89.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.18 0.514 . . . . 0.0 109.882 174.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.1 m -62.13 -35.12 77.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.746 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' 1252 ' ' ALA . 5.1 mm-40 -54.01 -48.64 70.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.7 175.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.835 ' HB3' HD21 ' A' 1335 ' ' LEU . 59.4 mt -64.3 -40.63 96.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.786 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1257 ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' 1253 ' ' ALA . 92.1 t -59.87 -50.79 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 120.768 0.318 . . . . 0.0 111.796 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -68.37 -26.75 65.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.179 0.514 . . . . 0.0 110.685 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -79.62 -24.61 41.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.705 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1260 ' ' SER . . . . . 0.511 ' O ' HD21 ' A' 1322 ' ' LEU . 48.1 m -50.73 -25.24 4.11 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -172.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 70.4 mtt-85 -62.05 -27.88 69.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.89 0.376 . . . . 0.0 110.349 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 120.99 90.18 1.12 Allowed Glycine 0 CA--C 1.499 -0.909 0 CA-C-N 115.817 -0.628 . . . . 0.0 113.435 171.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1263 ' ' THR . . . . . 0.528 HG23 ' HB2' ' A' 1266 ' ' ASP . 0.1 OUTLIER -153.77 119.05 2.78 Favored Pre-proline 0 N--CA 1.442 -0.851 0 CA-C-N 114.626 -0.787 . . . . 0.0 109.094 175.837 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1264 ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' 1263 ' ' THR . 31.2 Cg_exo -59.02 -45.04 30.42 Favored 'Trans proline' 0 CA--C 1.522 -0.091 0 C-N-CA 123.207 2.605 . . . . 0.0 112.874 -171.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -68.55 -33.02 73.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.079 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1266 ' ' ASP . . . . . 0.528 ' HB2' HG23 ' A' 1263 ' ' THR . 5.7 m-20 -72.64 -45.96 56.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.976 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 44.9 mt -65.83 -33.08 75.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.06 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.52 80.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.097 0.475 . . . . 0.0 110.713 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 36.8 ttp-105 -65.65 -42.22 91.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.324 0.583 . . . . 0.0 109.788 176.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.11 96.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.787 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 1.5 p -62.87 -40.31 97.11 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.791 0.329 . . . . 0.0 111.176 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -72.1 -34.41 61.56 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.962 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -69.47 -50.85 41.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.118 0.485 . . . . 0.0 110.363 176.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1274 ' ' PHE . . . . . 0.82 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 59.3 t80 -60.21 -48.8 80.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.424 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -65.94 -30.13 76.44 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.765 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -77.37 -38.41 50.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.827 0.346 . . . . 0.0 111.233 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.33 -32.66 43.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.262 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.504 ' CE2' HG13 ' A' 1216 ' ' VAL . 71.8 t80 -58.59 -48.16 81.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.479 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1279 ' ' SER . . . . . 0.517 ' O ' ' HG3' ' A' 1283 ' ' GLU . 39.0 p -57.01 -47.41 80.92 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.51 -176.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 23.3 m -60.32 -40.91 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1281 ' ' PHE . . . . . 0.501 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 89.4 t80 -61.42 -48.02 83.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.601 178.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' 1286 ' ' VAL . 23.0 tp -70.5 -40.34 73.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.096 -176.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1283 ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' 1279 ' ' SER . 58.9 mt-10 -57.25 -47.7 80.73 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.047 0.451 . . . . 0.0 110.407 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -67.96 -32.89 73.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.016 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.03 -35.32 90.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.838 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' 1223 ' ' LEU . 43.5 t -67.03 -37.64 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 177.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -63.5 -42.8 98.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.719 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 3.6 ppp? -74.18 -26.11 60.09 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.777 178.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -69.77 -28.88 66.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.021 0.438 . . . . 0.0 109.998 174.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -77.0 -16.89 80.38 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.173 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.719 ' HG2' ' HA ' ' A' 1288 ' ' MET . 74.2 mm-40 -63.61 -31.48 72.65 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -76.77 116.74 59.51 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.482 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.7 7.89 4.93 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.821 2.347 . . . . 0.0 112.116 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 2.3 p -130.13 146.09 51.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.344 -177.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1295 ' ' GLN . . . . . 0.441 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 43.2 mt-30 -89.42 -15.36 33.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -168.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.88 -35.56 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 173.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.8 -43.46 83.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.477 170.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' 1302 ' ' VAL . 69.3 ttt180 -53.42 -56.39 17.24 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.875 177.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.62 72.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.543 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -70.09 -35.46 74.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -176.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.465 HG21 ' SD ' ' A' 1288 ' ' MET . 14.3 p -80.89 -31.3 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.369 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' 1298 ' ' ARG . 73.9 t -63.59 -29.83 48.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.833 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 17.2 m -52.75 -47.55 67.36 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.746 174.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1304 ' ' ASN . . . . . 0.596 ' HB2' HD23 ' A' 1349 ' ' LEU . 17.1 m-80 -67.58 -40.17 84.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.922 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' 1302 ' ' VAL . 96.2 mt -60.26 -48.77 80.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -59.76 -48.19 82.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.564 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.25 -53.3 35.3 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.519 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1308 ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' A' 1345 ' ' SER . 0.0 OUTLIER -68.9 -39.79 80.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.763 -177.469 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1309 ' ' SER . . . . . 0.411 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 47.2 m -64.15 -46.56 83.56 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.732 0.301 . . . . 0.0 111.194 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1310 ' ' MET . . . . . 0.5 ' O ' ' HG3' ' A' 1314 ' ' LYS . 45.8 mtt -66.94 -46.33 75.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 69.5 m -61.12 -36.2 79.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.517 0.199 . . . . 0.0 110.995 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 66.0 m -66.18 -40.55 90.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.333 0.587 . . . . 0.0 110.103 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.543 ' O ' ' HG ' ' A' 1317 ' ' LEU . 65.9 m -61.11 -48.42 81.73 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.363 175.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' 1310 ' ' MET . 61.2 mttm -61.86 -34.59 76.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.739 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.418 ' HG ' HD13 ' A' 1256 ' ' LEU . 49.0 tp -64.23 -45.8 86.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.853 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' 1320 ' ' LYS . 83.5 mt -69.4 -33.89 73.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.238 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' 1313 ' ' SER . 97.7 mt -60.71 -41.7 95.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 110.173 176.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.72 82.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.53 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.6 98.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.471 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1320 ' ' LYS . . . . . 0.553 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 8.0 mtmp? -61.9 -47.8 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.24 0.543 . . . . 0.0 110.425 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1321 ' ' ALA . . . . . 0.439 ' C ' HD21 ' A' 1331 ' ' LEU . . . -60.68 -31.37 70.62 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.693 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.511 HD21 ' O ' ' A' 1260 ' ' SER . 34.8 tp -82.26 -32.58 29.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.994 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 23.5 t -67.62 -29.05 68.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.159 0.504 . . . . 0.0 109.793 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 6.3 p -90.01 -40.94 12.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.987 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -122.59 83.07 47.89 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.765 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1326 ' ' PRO . . . . . 0.435 ' HA ' HD12 ' A' 1322 ' ' LEU . 76.1 Cg_endo -88.69 14.27 2.32 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 122.528 2.152 . . . . 0.0 112.635 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -104.61 -11.56 16.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1328 ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 2.8 p -84.51 118.74 71.81 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 121.123 0.487 . . . . 0.0 111.197 -177.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1329 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 1328 ' ' SER . 36.4 Cg_exo -60.63 -41.53 46.69 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.111 2.541 . . . . 0.0 112.673 -175.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -69.5 -24.62 63.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.015 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1331 ' ' LEU . . . . . 0.439 HD21 ' C ' ' A' 1321 ' ' ALA . 12.0 tp -71.27 -35.53 71.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.18 -178.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.7 mptm? -55.34 -57.1 13.23 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.545 0.688 . . . . 0.0 110.198 173.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 26.2 m -71.18 -26.96 63.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.744 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -64.44 -43.15 95.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.183 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1335 ' ' LEU . . . . . 0.835 HD21 ' HB3' ' A' 1256 ' ' LEU . 7.0 tt -67.15 -46.38 74.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.766 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.17 76.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.368 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -71.46 -36.85 71.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' 1342 ' ' VAL . . . -66.13 -40.81 90.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.674 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1339 ' ' ALA . . . . . 0.406 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -64.79 -40.0 94.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.509 177.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -58.8 -39.05 79.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.136 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.29 85.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.624 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' 1346 ' ' ILE . 90.7 t -59.03 -52.36 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.78 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 83.3 m -56.28 -41.01 75.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 110.638 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.12 -44.76 95.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.106 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1345 ' ' SER . . . . . 0.44 ' HB2' ' HB ' ' A' 1308 ' ' ILE . 3.9 p -70.62 -31.75 68.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.395 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' 1342 ' ' VAL . 80.2 mt -59.44 -48.63 86.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.081 0.467 . . . . 0.0 109.751 174.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -58.26 -41.52 84.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.967 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -64.99 -37.58 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.496 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.596 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -67.39 -45.46 76.17 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' 1246 ' ' ALA . 42.8 mm -63.88 -41.89 94.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.397 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 41.3 m -62.73 -39.1 93.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.522 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.0 tpt -63.12 -37.3 86.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.963 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 23.8 t . . . . . 0 C--O 1.234 0.281 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.187 178.731 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1207 ' ' ARG . . . . . 0.401 ' HE ' ' HB3' ' A' 1207 ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -51.31 -43.65 61.73 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.191 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.747 ' O ' ' HG ' ' A' 1213 ' ' LEU . 41.2 t -62.71 -54.55 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.618 -177.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.78 -36.7 83.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.084 0.468 . . . . 0.0 110.846 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 38.4 t30 -64.74 -49.68 69.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.411 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.07 97.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.597 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1213 ' ' LEU . . . . . 0.747 ' HG ' ' O ' ' A' 1209 ' ' VAL . 11.6 mt -60.77 -43.34 98.16 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.065 0.459 . . . . 0.0 110.153 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -68.27 -45.87 71.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.419 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -53.24 -48.77 67.94 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.013 -175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.517 HG13 ' CE2' ' A' 1278 ' ' PHE . 70.7 t -58.41 -46.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.654 0.264 . . . . 0.0 111.542 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -74.03 -47.4 18.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.335 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.15 -46.61 86.39 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.228 0.211 . . . . 0.0 111.473 -176.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.84 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.546 0.212 . . . . 0.0 111.088 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 49.0 m -62.56 -43.75 98.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.953 0.406 . . . . 0.0 110.509 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -74.49 -35.54 63.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.316 -178.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -77.5 -36.66 52.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.372 -0.376 . . . . 0.0 112.013 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1223 ' ' LEU . . . . . . . . . . . . . 86.9 mt -92.67 -59.35 2.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -173.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--N 1.33 -0.27 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -167.595 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 . . . . . 0 C--O 1.235 0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -67.7 -49.74 61.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.364 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.11 93.26 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.302 -175.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1239 ' ' GLN . . . . . 0.404 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 63.9 tt0 -59.26 -56.92 15.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.803 -176.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.9 p -67.18 -35.06 78.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.006 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -68.03 -45.09 74.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.858 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1242 ' ' LEU . . . . . 0.504 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 61.6 tp -63.26 -44.43 95.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.841 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -63.18 -35.25 79.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.697 0.284 . . . . 0.0 111.617 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.68 -47.97 42.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.844 0.354 . . . . 0.0 110.31 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.49 98.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.196 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1246 ' ' ALA . . . . . 0.477 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -61.73 -46.05 91.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.337 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.14 -31.63 71.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.863 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.31 -42.82 56.38 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.546 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1249 ' ' LEU . . . . . 0.407 HD21 HD11 ' A' 1308 ' ' ILE . 37.9 tp -69.02 -34.62 75.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.483 0.182 . . . . 0.0 110.978 -178.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -54.9 -46.75 74.87 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.961 0.41 . . . . 0.0 110.159 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.415 ' O ' ' HB ' ' A' 1254 ' ' THR . 24.1 tt0 -72.56 -32.29 65.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.335 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1252 ' ' ALA . . . . . 0.912 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -61.3 -44.36 97.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.683 177.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -64.01 -39.09 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.97 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1254 ' ' THR . . . . . 0.512 ' O ' ' HG2' ' A' 1258 ' ' GLN . 92.9 m -57.94 -40.99 81.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.782 175.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.692 ' HG3' ' HG2' ' A' 1273 ' ' ARG . 5.5 mm-40 -56.91 -42.71 80.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.296 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.452 ' HB3' HD21 ' A' 1335 ' ' LEU . 18.5 mt -65.47 -35.42 80.86 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.867 177.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 59.2 t -64.65 -47.05 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.086 0.469 . . . . 0.0 110.239 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1258 ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' 1254 ' ' THR . 79.4 mm-40 -61.12 -41.36 96.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.176 178.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1259 ' ' ALA . . . . . 0.456 ' HA ' ' OD2' ' A' 1266 ' ' ASP . . . -74.77 -27.25 60.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.715 -177.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1260 ' ' SER . . . . . 0.521 ' HA ' HD21 ' A' 1322 ' ' LEU . 33.7 t -57.23 -34.9 69.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.399 0.618 . . . . 0.0 110.249 177.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -96.13 18.15 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.398 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -122.43 -122.61 2.82 Favored Glycine 0 N--CA 1.436 -1.363 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1263 ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' 1264 ' ' PRO . 68.3 p -140.83 167.55 17.21 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.929 0.364 . . . . 0.0 111.295 -175.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1264 ' ' PRO . . . . . 0.559 ' HA ' ' HB2' ' A' 1267 ' ' LEU . 84.6 Cg_exo -51.83 -28.49 31.03 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.865 2.377 . . . . 0.0 112.972 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.34 -50.45 67.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.762 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1266 ' ' ASP . . . . . 0.456 ' OD2' ' HA ' ' A' 1259 ' ' ALA . 3.3 p-10 -79.54 -25.62 41.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.559 ' HB2' ' HA ' ' A' 1264 ' ' PRO . 21.2 mt -59.53 -37.31 78.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.494 170.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.48 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -51.41 -47.66 62.9 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.38 0.609 . . . . 0.0 110.361 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1270 ' ' ALA . . . . . 0.4 ' CB ' HD23 ' A' 1256 ' ' LEU . . . -60.52 -40.1 90.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.247 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 15.5 m -65.22 -44.57 87.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.728 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -62.48 -40.79 99.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.714 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1273 ' ' ARG . . . . . 0.692 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 16.5 tpp180 -65.24 -48.02 74.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 110.469 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1274 ' ' PHE . . . . . 0.912 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 51.2 t80 -63.05 -52.34 63.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.346 -176.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.29 -37.98 95.48 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.107 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.3 -52.73 17.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.689 0.28 . . . . 0.0 111.185 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.12 -29.8 69.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.537 ' CE2' HD11 ' A' 1282 ' ' LEU . 89.8 t80 -63.09 -43.46 98.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.541 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 22.7 m -62.2 -39.77 93.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.465 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 15.0 m -63.44 -39.46 94.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.317 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 83.5 t80 -63.41 -42.4 98.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.343 176.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' 1278 ' ' PHE . 24.1 mt -61.24 -45.01 96.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.01 -38.67 89.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.866 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -65.52 -36.38 83.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.33 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -63.52 -41.93 99.07 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.83 176.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1286 ' ' VAL . . . . . . . . . . . . . 98.5 t -62.65 -41.36 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.391 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -55.75 -46.39 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.626 177.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.632 ' O ' ' HG2' ' A' 1291 ' ' GLN . 7.9 ptm -78.86 -24.78 44.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.963 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -68.31 -26.69 65.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.93 0.395 . . . . 0.0 110.103 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -69.68 -34.27 72.46 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.763 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1291 ' ' GLN . . . . . 0.632 ' HG2' ' O ' ' A' 1288 ' ' MET . 25.5 pt20 -77.96 -8.12 57.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.604 0.24 . . . . 0.0 110.854 -177.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1292 ' ' ALA . . . . . 0.456 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -62.89 117.37 31.74 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.744 -179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1293 ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 15.4 Cg_exo -68.82 -56.77 0.15 Allowed 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 123.062 2.508 . . . . 0.0 111.971 -177.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 5.8 m -85.73 149.79 25.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.021 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -65.46 -34.18 77.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.66 -33.8 75.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.465 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.41 -43.65 73.0 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.449 ' O ' HG23 ' A' 1302 ' ' VAL . 38.7 ttp-105 -65.25 -33.59 76.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.185 177.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.63 79.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 176.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -61.42 -47.37 86.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.268 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.659 ' O ' ' HG ' ' A' 1305 ' ' LEU . 10.6 p -61.21 -40.36 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.564 -178.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.469 ' HA ' HD12 ' A' 1305 ' ' LEU . 71.8 t -64.07 -33.16 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-O 120.651 0.263 . . . . 0.0 110.87 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 54.8 m -58.91 -48.13 82.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.84 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1304 ' ' ASN . . . . . 0.654 ' HB2' HD23 ' A' 1349 ' ' LEU . 20.5 m120 -64.75 -38.83 92.33 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.146 0.498 . . . . 0.0 109.955 177.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' 1301 ' ' VAL . 93.5 mt -62.4 -39.11 92.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.741 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -70.57 -36.55 73.67 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 120.646 -0.422 . . . . 0.0 109.917 174.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.85 77.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.001 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1308 ' ' ILE . . . . . 0.407 HD11 HD21 ' A' 1249 ' ' LEU . 0.0 OUTLIER -75.02 -37.85 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 122.807 -0.231 . . . . 0.0 110.389 178.678 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 40.0 t -61.19 -49.39 77.37 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 110.596 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1310 ' ' MET . . . . . 0.72 ' O ' ' HG2' ' A' 1314 ' ' LYS . 62.9 mtp -57.33 -51.19 70.39 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.54 178.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 23.3 m -55.79 -39.89 71.91 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.388 0.43 . . . . 0.0 110.66 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1312 ' ' SER . . . . . 0.419 ' HB3' ' CE2' ' A' 1274 ' ' PHE . 49.5 m -66.52 -40.68 89.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.476 0.655 . . . . 0.0 109.932 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.519 ' O ' ' HG ' ' A' 1317 ' ' LEU . 50.7 m -61.62 -48.05 82.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.537 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.72 ' HG2' ' O ' ' A' 1310 ' ' MET . 65.0 mmtt -63.18 -38.49 91.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.175 0.512 . . . . 0.0 110.018 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.616 HD22 ' HA ' ' A' 1339 ' ' ALA . 40.7 tp -60.16 -44.29 95.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.945 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.722 ' HB3' HD22 ' A' 1213 ' ' LEU . 49.9 mt -73.0 -26.75 61.44 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -178.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' 1313 ' ' SER . 90.6 mt -64.49 -34.78 79.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.081 0.467 . . . . 0.0 109.896 174.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.25 -41.58 76.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.849 174.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.92 82.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.965 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -56.93 -48.97 77.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.129 0.49 . . . . 0.0 110.237 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.93 68.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.871 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.531 HD11 ' HE2' ' A' 1332 ' ' LYS . 29.2 tp -75.64 -32.17 60.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.511 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 12.6 p -78.79 -12.97 60.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 1.3 p -100.26 -34.02 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.695 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -131.45 82.71 61.1 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.271 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -81.41 -1.05 10.85 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.469 2.112 . . . . 0.0 112.583 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -96.52 -0.28 49.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.392 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1328 ' ' SER . . . . . 0.497 ' CB ' HD13 ' A' 1331 ' ' LEU . 55.6 m -93.72 109.14 39.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.57 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1329 ' ' PRO . . . . . 0.625 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 33.8 Cg_endo -64.85 -29.2 58.68 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.845 2.363 . . . . 0.0 112.51 -176.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -62.67 -32.78 73.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.707 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1331 ' ' LEU . . . . . 0.497 HD13 ' CB ' ' A' 1328 ' ' SER . 10.7 mp -70.39 -26.96 63.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.19 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.625 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 0.8 OUTLIER -64.8 -43.1 94.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.003 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 16.1 m -70.52 -41.02 73.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.312 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1334 ' ' GLN . . . . . 0.431 ' HB3' ' HA ' ' A' 1331 ' ' LEU . 48.6 tt0 -53.58 -48.08 69.54 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.727 177.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1335 ' ' LEU . . . . . 0.48 HD22 ' HB2' ' A' 1260 ' ' SER . 9.8 tt -68.81 -47.48 65.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.495 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1336 ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -55.98 -40.61 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.705 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.35 91.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.899 0.38 . . . . 0.0 110.969 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' 1342 ' ' VAL . . . -72.06 -36.31 69.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.711 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1339 ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.45 -39.8 92.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1340 ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' 1336 ' ' ALA . 30.2 mmt180 -71.59 -32.17 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.201 178.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.7 87.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.407 176.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.602 ' O ' HG13 ' A' 1346 ' ' ILE . 98.0 t -58.52 -52.3 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.122 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1343 ' ' THR . . . . . 0.608 ' HA ' HD12 ' A' 1346 ' ' ILE . 17.4 m -60.29 -36.29 77.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.76 -177.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.88 -46.35 88.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.135 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.8 m -69.04 -27.13 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.494 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' 1343 ' ' THR . 85.8 mt -62.88 -54.99 26.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.58 0.229 . . . . 0.0 110.679 178.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -68.48 -28.44 67.03 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.494 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -59.7 -38.05 80.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.404 176.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.654 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -75.73 -37.53 59.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' 1346 ' ' ILE . 49.3 mm -60.21 -38.13 76.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.601 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 85.5 m -59.75 -31.45 69.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.891 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 25.0 mmt -76.4 -28.2 56.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1353 ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 45.7 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.208 0.528 . . . . 0.0 110.019 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 120.882 0.372 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1208 ' ' ASP . . . . . 0.587 ' OD2' ' HA ' ' A' 1268 ' ' ALA . 0.8 OUTLIER -50.6 -41.88 55.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.185 178.794 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1209 ' ' VAL . . . . . 0.45 HG13 ' OD2' ' A' 1208 ' ' ASP . 36.0 m -78.41 -29.91 15.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.202 -174.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.61 -38.98 20.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 111.017 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 52.3 t30 -64.9 -32.93 74.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.186 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1212 ' ' ALA . . . . . 0.43 ' HB1' HD13 ' A' 1316 ' ' LEU . . . -58.24 -42.71 86.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.103 173.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.91 -39.92 96.0 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.363 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -63.07 -44.65 95.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.47 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -61.27 -48.91 79.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.78 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1216 ' ' VAL . . . . . 0.596 HG13 ' CE2' ' A' 1278 ' ' PHE . 94.5 t -62.36 -44.64 99.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.846 178.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1217 ' ' GLY . . . . . 0.543 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -64.09 -46.4 91.28 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.367 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.53 -31.05 71.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.743 0.306 . . . . 0.0 111.168 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1219 ' ' ALA . . . . . 0.529 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -66.79 -40.35 88.09 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1220 ' ' SER . . . . . 0.563 ' O ' ' HB2' ' A' 1224 ' ' LEU . 27.6 m -66.05 -30.87 71.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.347 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1221 ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' 1217 ' ' GLY . 63.6 mttp -68.44 -54.35 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.992 0.425 . . . . 0.0 110.75 177.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -68.92 -39.96 79.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.813 -175.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1223 ' ' LEU . . . . . 0.788 ' HB3' HG11 ' A' 1286 ' ' VAL . 29.9 mt -101.66 -46.65 4.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -166.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1224 ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' A' 1220 ' ' SER . 3.4 mm? . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.154 0.502 . . . . 0.0 111.843 -172.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.692 0.282 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.04 -44.28 97.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.374 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.98 95.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.673 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -63.22 -42.62 99.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.695 177.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 43.2 t -59.5 -42.97 93.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.094 0.473 . . . . 0.0 110.285 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.23 -40.92 98.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.908 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1242 ' ' LEU . . . . . 0.527 ' HB3' HD12 ' A' 1350 ' ' ILE . 9.1 mt -62.83 -43.01 99.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.909 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -57.58 -34.42 69.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.185 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -77.47 -51.67 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.64 93.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.901 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1246 ' ' ALA . . . . . 0.524 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -59.76 -49.84 76.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.993 -178.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.28 79.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.248 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.79 -45.17 59.41 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.341 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 37.5 tp -66.64 -33.67 76.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.589 0.233 . . . . 0.0 110.807 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -57.05 -43.96 82.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.301 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1251 ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' A' 1255 ' ' GLU . 48.5 tt0 -72.76 -32.15 65.43 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.422 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.86 77.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.953 0.406 . . . . 0.0 110.418 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1253 ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' 1257 ' ' VAL . . . -67.87 -39.12 83.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.096 0.474 . . . . 0.0 110.162 173.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 29.1 m -62.56 -34.85 77.77 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.693 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1255 ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' 1251 ' ' GLN . 33.7 mm-40 -57.2 -47.63 80.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.291 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1256 ' ' LEU . . . . . 0.675 ' HB3' HD21 ' A' 1335 ' ' LEU . 36.1 mt -60.93 -40.51 93.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.742 177.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1257 ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' 1253 ' ' ALA . 58.3 t -58.26 -51.39 71.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.691 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -60.04 -49.9 75.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.702 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.46 80.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.461 -175.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1260 ' ' SER . . . . . 0.476 ' HB3' HD13 ' A' 1335 ' ' LEU . 96.9 p -60.65 -31.98 71.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.003 0.43 . . . . 0.0 111.378 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -101.66 9.28 41.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.633 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -116.0 -71.49 0.48 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.212 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1263 ' ' THR . . . . . 0.429 HG23 ' HB2' ' A' 1266 ' ' ASP . 1.9 t -159.45 138.49 8.07 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.954 0.407 . . . . 0.0 111.177 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1264 ' ' PRO . . . . . 0.689 ' HA ' HD12 ' A' 1267 ' ' LEU . 52.8 Cg_exo -55.9 -26.0 55.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.459 2.773 . . . . 0.0 112.454 175.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -70.77 -28.68 64.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.526 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1266 ' ' ASP . . . . . 0.429 ' HB2' HG23 ' A' 1263 ' ' THR . 11.8 t70 -80.73 -34.15 34.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1267 ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' 1264 ' ' PRO . 49.3 mt -56.64 -34.73 67.58 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.783 174.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1268 ' ' ALA . . . . . 0.587 ' HA ' ' OD2' ' A' 1208 ' ' ASP . . . -56.35 -45.94 80.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.261 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -70.71 -41.54 71.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.922 0.391 . . . . 0.0 110.218 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.44 92.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.88 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1271 ' ' SER . . . . . 0.442 ' OG ' HG12 ' A' 1209 ' ' VAL . 51.4 m -60.66 -49.5 77.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.24 176.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.76 -34.94 91.29 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.078 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -71.18 -55.91 7.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1274 ' ' PHE . . . . . 0.489 ' HZ ' HG11 ' A' 1342 ' ' VAL . 76.1 t80 -54.76 -48.59 72.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.633 -174.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -61.77 -44.37 97.97 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.919 -177.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -77.1 -39.97 47.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.794 0.33 . . . . 0.0 110.891 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 4.8 t70 -63.08 -38.82 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.23 0.538 . . . . 0.0 109.725 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1278 ' ' PHE . . . . . 0.596 ' CE2' HG13 ' A' 1216 ' ' VAL . 57.5 t80 -57.09 -43.21 82.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.937 176.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 49.9 m -59.85 -41.13 90.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.065 0.459 . . . . 0.0 110.239 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 2.2 m -68.29 -31.87 71.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.864 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 49.5 t80 -73.81 -47.0 41.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.534 177.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1282 ' ' LEU . . . . . 0.529 HD23 ' HB1' ' A' 1219 ' ' ALA . 29.2 tp -61.56 -40.86 96.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.179 -175.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1283 ' ' GLU . . . . . 0.497 ' HG2' HD11 ' A' 1223 ' ' LEU . 41.6 mt-10 -63.24 -27.96 69.71 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.698 0.285 . . . . 0.0 111.57 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -74.38 -42.67 58.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.882 0.372 . . . . 0.0 110.131 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -66.02 -45.25 88.79 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.568 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1286 ' ' VAL . . . . . 0.788 HG11 ' HB3' ' A' 1223 ' ' LEU . 18.3 m -67.8 -26.71 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 122.644 -0.327 . . . . 0.0 111.126 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.31 -52.97 50.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.12 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1288 ' ' MET . . . . . 0.461 ' HE3' ' HB2' ' A' 1288 ' ' MET . 22.1 ptm -70.93 -24.97 62.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 178.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1289 ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' 1298 ' ' ARG . . . -59.34 -35.63 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.162 0.506 . . . . 0.0 109.93 171.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -76.38 -31.73 53.73 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.692 174.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1291 ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -83.97 15.87 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.374 0.27 . . . . 0.0 110.823 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1292 ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -59.1 144.6 82.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.778 -176.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1293 ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 24.1 Cg_exo -64.48 -33.33 57.54 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.844 2.363 . . . . 0.0 112.424 177.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 53.2 p -146.69 165.79 28.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 111.301 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -66.4 -40.29 89.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.28 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.48 -34.12 77.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.394 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.98 -43.69 82.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.954 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1298 ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' 1289 ' ' ALA . 49.0 ttp180 -59.33 -48.82 80.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.548 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.82 76.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.85 -51.85 36.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1301 ' ' VAL . . . . . 0.581 ' O ' ' HG ' ' A' 1305 ' ' LEU . 12.4 p -62.7 -36.64 76.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.185 -177.244 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1302 ' ' VAL . . . . . 0.533 ' HA ' HD12 ' A' 1305 ' ' LEU . 77.0 t -63.97 -38.69 83.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.497 176.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 40.1 m -63.71 -38.68 92.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.608 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1304 ' ' ASN . . . . . 0.556 ' HB2' HD23 ' A' 1349 ' ' LEU . 9.5 m120 -61.43 -43.06 99.53 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1305 ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' 1301 ' ' VAL . 92.7 mt -60.45 -39.88 89.15 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.896 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1306 ' ' LYS . . . . . 0.402 ' HA ' ' HG ' ' A' 1309 ' ' SER . 35.2 ttpt -64.71 -42.79 95.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.785 0.326 . . . . 0.0 110.212 175.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.82 -42.49 91.9 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.466 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -37.61 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 122.736 -0.273 . . . . 0.0 111.037 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1309 ' ' SER . . . . . 0.402 ' HG ' ' HA ' ' A' 1306 ' ' LYS . 34.1 p -66.11 -48.21 71.61 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.794 0.33 . . . . 0.0 111.164 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1310 ' ' MET . . . . . . . . . . . . . 93.3 mmm -63.89 -39.49 94.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.765 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 69.6 m -63.51 -39.3 94.07 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.729 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 49.6 m -63.16 -40.57 97.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.504 0.668 . . . . 0.0 109.6 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1313 ' ' SER . . . . . 0.431 ' O ' ' HG ' ' A' 1317 ' ' LEU . 60.1 m -60.68 -50.5 73.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.683 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1314 ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' 1317 ' ' LEU . 57.8 mttm -63.54 -34.58 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.139 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1315 ' ' LEU . . . . . 0.59 HD22 ' HA ' ' A' 1339 ' ' ALA . 38.0 tp -63.57 -49.32 73.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1316 ' ' LEU . . . . . 0.43 HD13 ' HB1' ' A' 1212 ' ' ALA . 70.3 mt -66.97 -26.92 67.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.24 -178.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1317 ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' 1313 ' ' SER . 90.4 mt -64.67 -34.86 79.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 0.0 110.263 175.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.57 -37.75 73.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.954 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.48 87.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.976 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1320 ' ' LYS . . . . . 0.442 ' HA ' HG21 ' A' 1209 ' ' VAL . 39.6 ttmt -63.28 -50.65 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.166 0.507 . . . . 0.0 110.584 177.134 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.41 83.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.872 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1322 ' ' LEU . . . . . 0.418 ' CD2' ' HB2' ' A' 1260 ' ' SER . 35.1 tp -77.93 -19.37 54.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.719 -177.025 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 8.6 p -85.12 -27.88 25.94 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.754 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 8.6 t -89.64 -30.75 17.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.811 0.338 . . . . 0.0 110.316 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -124.59 77.23 63.59 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.871 0.367 . . . . 0.0 110.245 173.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -79.38 -2.76 12.54 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.433 2.088 . . . . 0.0 113.054 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -93.16 -6.29 48.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.389 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 35.7 t -83.93 111.23 31.22 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1329 ' ' PRO . . . . . 0.619 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 37.4 Cg_endo -66.45 -28.2 46.28 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.927 2.418 . . . . 0.0 112.418 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 17.6 m120 -62.94 -35.88 81.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.255 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1331 ' ' LEU . . . . . 0.406 ' HB2' HD13 ' A' 1322 ' ' LEU . 6.4 mp -71.09 -26.67 63.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.707 -175.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1332 ' ' LYS . . . . . 0.619 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 0.6 OUTLIER -64.97 -48.09 75.27 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.7 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 4.3 m -64.24 -43.34 95.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.3 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.11 -50.16 74.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.018 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1335 ' ' LEU . . . . . 0.675 HD21 ' HB3' ' A' 1256 ' ' LEU . 8.6 tt -63.72 -48.87 75.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.455 -178.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -60.48 -34.55 74.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.441 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -71.53 -47.95 51.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.756 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1338 ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' 1342 ' ' VAL . . . -62.11 -38.55 89.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1339 ' ' ALA . . . . . 0.59 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -60.17 -43.02 96.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.005 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1340 ' ' ARG . . . . . 0.489 ' HD3' ' HA ' ' A' 1340 ' ' ARG . 25.1 mmt180 -71.45 -27.96 63.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.15 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.97 -42.45 85.14 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 173.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1342 ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' 1346 ' ' ILE . 97.1 t -60.76 -48.68 87.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.885 174.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 33.5 m -52.75 -49.3 65.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.5 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1344 ' ' ASP . . . . . 0.569 ' O ' ' HG2' ' A' 1348 ' ' GLN . 26.5 t70 -63.14 -45.0 94.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.791 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 19.4 m -58.61 -38.27 77.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1346 ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' 1342 ' ' VAL . 88.5 mt -60.73 -49.27 85.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.085 175.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -61.67 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1348 ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' 1344 ' ' ASP . 79.8 mm-40 -60.75 -35.72 77.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.743 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.2 tm? -63.43 -51.28 66.41 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1350 ' ' ILE . . . . . 0.527 HD12 ' HB3' ' A' 1242 ' ' LEU . 34.8 mm -61.39 -32.63 53.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.747 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 55.3 m -57.92 -54.96 41.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -28.85 69.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.3 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 61.3 m . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.546 -178.872 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1201 ' ' ILE . . . . . 0.713 HD13 ' H ' ' A' 1201 ' ' ILE . 0.2 OUTLIER -110.59 175.74 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.87 113.54 16.84 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 0.0 110.337 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -92.5 147.3 2.8 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.921 2.414 . . . . 0.0 113.368 -175.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 97.7 m-85 52.75 76.71 0.18 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.687 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1205 ' ' THR . . . . . 0.446 ' HA ' ' HB2' ' A' 1268 ' ' ALA . 29.2 m -152.42 -38.65 0.11 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.774 174.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.498 ' O ' HG22 ' A' 1209 ' ' VAL . 29.5 mm-40 -109.57 -29.14 8.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.236 176.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -59.03 -47.22 85.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.033 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.11 -33.57 74.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.388 -175.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1209 ' ' VAL . . . . . 1.025 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 21.1 m -77.48 -28.68 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.118 -175.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -82.81 -40.33 20.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.451 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.83 -32.67 72.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -64.22 -46.15 85.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.468 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 42.1 mt -64.63 -35.15 80.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.46 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -57.48 -52.37 65.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.982 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.78 -55.57 12.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.559 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.448 HG13 ' CE2' ' A' 1278 ' ' PHE . 88.6 t -59.5 -47.36 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 111.06 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -61.0 -49.98 72.62 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.477 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -61.63 -45.45 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.735 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.35 86.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.887 0.375 . . . . 0.0 110.274 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1220 ' ' SER . . . . . 0.416 ' HA ' HD21 ' A' 1282 ' ' LEU . 19.6 t -63.28 -38.71 92.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 14.1 mptt -77.98 -43.65 29.0 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1222 ' ' ARG . . . . . 0.542 ' O ' ' HB3' ' A' 1227 ' ' LEU . 55.9 mtp180 -78.53 -24.38 45.73 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -174.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.739 ' HB3' HG21 ' A' 1286 ' ' VAL . 97.1 mt -97.79 -38.02 9.63 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.875 -176.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1224 ' ' LEU . . . . . 0.431 HD22 HG13 ' A' 1302 ' ' VAL . 82.8 mt -86.24 0.12 54.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.149 0.5 . . . . 0.0 110.514 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 45.7 m -154.0 144.69 22.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.218 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 18.8 t70 73.83 -69.59 0.18 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 175.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1227 ' ' LEU . . . . . 0.542 ' HB3' ' O ' ' A' 1222 ' ' ARG . 8.8 tt -97.93 135.16 40.06 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.104 0.478 . . . . 0.0 110.533 -173.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1228 ' ' LEU . . . . . 0.449 HD13 ' NH2' ' A' 1298 ' ' ARG . 82.2 mt -133.06 133.91 23.71 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.582 176.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' 1228 ' ' LEU . 22.6 Cg_exo -64.81 112.42 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.463 2.109 . . . . 0.0 111.614 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1230 ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 1.5 Cg_endo -83.1 23.05 0.85 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.178 2.585 . . . . 0.0 112.285 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 7.2 m -63.39 116.49 5.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.309 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 11.5 t -113.56 140.75 47.9 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 164.11 -126.5 1.52 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.64 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 33.4 p -98.71 133.61 42.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.052 0.453 . . . . 0.0 110.889 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 68.1 t80 -67.36 -36.16 80.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.355 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -66.99 -23.55 65.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.372 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -67.41 -51.3 53.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.061 0.458 . . . . 0.0 109.907 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.34 80.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.178 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -57.16 -52.54 64.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.323 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1240 ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' 1244 ' ' GLU . 42.0 m -65.03 -40.22 94.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.652 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 19.6 ttp180 -63.25 -36.5 83.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.553 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 19.3 tp -65.52 -46.39 79.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.821 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -57.68 -45.13 86.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.692 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1244 ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' 1240 ' ' SER . 32.2 mt-10 -63.13 -40.85 98.81 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.253 0.549 . . . . 0.0 110.485 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.47 82.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.666 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.09 94.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.838 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.59 -35.33 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.309 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -74.49 -42.35 33.78 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.231 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.2 -31.82 72.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.799 0.333 . . . . 0.0 110.602 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -57.7 -39.46 77.26 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' A' 1255 ' ' GLU . 32.5 tt0 -76.31 -34.21 59.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.227 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.16 86.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.765 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1253 ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' 1257 ' ' VAL . . . -66.4 -38.38 87.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.267 0.556 . . . . 0.0 109.998 174.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 92.5 m -62.71 -36.46 83.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.846 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' 1251 ' ' GLN . 47.6 mt-10 -63.28 -40.26 96.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.948 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.611 ' HB3' HD21 ' A' 1335 ' ' LEU . 35.2 mt -62.86 -36.87 84.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.757 0.313 . . . . 0.0 110.312 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1257 ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' 1253 ' ' ALA . 76.8 t -64.25 -52.0 61.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.057 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1258 ' ' GLN . . . . . 0.496 ' HG2' ' HA ' ' A' 1255 ' ' GLU . 4.6 pt20 -67.16 -36.49 81.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.973 0.416 . . . . 0.0 110.901 -177.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.03 62.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.702 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1260 ' ' SER . . . . . 0.448 ' HA ' HD21 ' A' 1267 ' ' LEU . 73.2 p -64.17 -24.33 67.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.064 0.459 . . . . 0.0 110.809 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -104.32 18.99 21.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.36 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.46 -91.15 0.97 Allowed Glycine 0 N--CA 1.44 -1.062 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 29.8 p -143.04 153.69 60.67 Favored Pre-proline 0 C--O 1.234 0.279 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1264 ' ' PRO . . . . . 0.53 ' HA ' HD12 ' A' 1267 ' ' LEU . 41.7 Cg_exo -60.04 -23.94 74.89 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.831 2.354 . . . . 0.0 111.986 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -74.28 -30.49 62.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -73.12 -40.75 64.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' 1264 ' ' PRO . 82.0 mt -55.47 -35.58 65.66 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.74 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1268 ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' 1205 ' ' THR . . . -58.03 -56.32 23.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.145 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -67.63 -32.32 72.94 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.809 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.04 97.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.861 174.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1271 ' ' SER . . . . . 0.558 ' OG ' ' HA ' ' A' 1209 ' ' VAL . 9.0 t -65.94 -45.73 80.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.458 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -60.54 -40.03 97.23 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.511 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -76.24 -44.67 36.38 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.755 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 72.3 t80 -53.39 -49.69 66.7 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 123.33 0.394 . . . . 0.0 111.045 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1275 ' ' GLY . . . . . 0.412 ' HA2' HG23 ' A' 1216 ' ' VAL . . . -65.04 -40.12 96.83 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.521 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -71.83 -46.01 59.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.549 0.214 . . . . 0.0 111.296 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.14 -31.28 69.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.437 . . . . 0.0 110.241 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.448 ' CE2' HG13 ' A' 1216 ' ' VAL . 81.2 t80 -56.29 -37.85 70.44 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.849 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 23.0 t -57.7 -51.4 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.036 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 32.0 m -59.13 -39.59 82.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.81 -51.4 67.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.668 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' 1286 ' ' VAL . 26.4 tp -67.47 -41.89 83.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.162 -175.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.4 -32.59 70.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.64 0.257 . . . . 0.0 111.208 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -77.77 -42.13 35.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.881 0.372 . . . . 0.0 110.524 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.76 93.18 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.778 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.739 HG21 ' HB3' ' A' 1223 ' ' LEU . 24.4 t -67.49 -30.77 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 110.459 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.61 -50.86 69.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.703 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1288 ' ' MET . . . . . . . . . . . . . 24.8 ptm -71.01 -28.39 64.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.606 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.06 82.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.009 0.433 . . . . 0.0 110.434 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -75.33 -10.81 84.46 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.363 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1291 ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -95.77 -2.0 48.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.63 -0.335 . . . . 0.0 110.819 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1292 ' ' ALA . . . . . 0.443 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -65.61 121.07 73.36 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.359 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1293 ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 22.6 Cg_exo -65.67 -41.9 13.54 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 123.211 2.607 . . . . 0.0 112.888 -175.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 22.0 m -94.48 127.92 40.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1295 ' ' GLN . . . . . 0.499 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 11.1 pt20 -66.62 -26.36 67.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.571 0.224 . . . . 0.0 110.966 -177.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.55 -43.65 96.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.308 0.575 . . . . 0.0 109.568 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 35.9 t70 -73.47 -38.79 65.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.049 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.499 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 56.6 ttt180 -58.31 -48.87 79.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.042 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -65.68 -33.26 75.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.07 0.462 . . . . 0.0 110.449 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.05 -50.56 65.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.017 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' 1305 ' ' LEU . 11.5 p -63.78 -33.66 63.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.783 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' 1298 ' ' ARG . 73.5 t -65.2 -37.4 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 110.633 175.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 36.9 m -61.85 -40.73 96.35 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.0 0.428 . . . . 0.0 110.231 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1304 ' ' ASN . . . . . 0.561 ' HB2' HD23 ' A' 1349 ' ' LEU . 7.4 m120 -64.76 -42.8 94.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.929 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.5 mt -60.17 -39.42 86.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.432 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -61.98 -41.58 98.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.464 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.61 -46.91 65.34 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.415 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1308 ' ' ILE . . . . . 0.462 HD13 ' O ' ' A' 1308 ' ' ILE . 0.0 OUTLIER -77.29 -34.27 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.403 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 62.7 m -62.89 -43.88 97.61 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.113 0.482 . . . . 0.0 110.969 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1310 ' ' MET . . . . . 0.674 ' HB3' ' HE2' ' A' 1314 ' ' LYS . 0.1 OUTLIER -68.55 -49.36 60.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.847 177.769 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.7 m -59.12 -39.13 81.37 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 12.4 p -67.22 -40.08 86.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.32 0.581 . . . . 0.0 110.084 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1313 ' ' SER . . . . . . . . . . . . . 49.7 m -61.8 -46.6 88.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.574 175.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.674 ' HE2' ' HB3' ' A' 1310 ' ' MET . 60.4 mttm -64.35 -33.74 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.863 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.645 HD22 ' HA ' ' A' 1339 ' ' ALA . 26.2 tp -65.02 -46.96 79.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.588 ' O ' ' HG3' ' A' 1320 ' ' LYS . 79.3 mt -57.91 -38.89 76.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.387 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1317 ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.11 -34.72 72.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.171 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.57 70.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.554 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.26 87.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.127 0.489 . . . . 0.0 110.596 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1320 ' ' LYS . . . . . 1.025 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 8.0 mtpm? -58.98 -48.27 82.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.566 177.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -63.64 -33.11 74.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' 1331 ' ' LEU . 28.4 tp -74.57 -16.7 60.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.417 . . . . 0.0 110.937 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 25.3 m -79.22 -30.29 43.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.028 0.442 . . . . 0.0 110.247 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 7.0 p -91.84 -26.7 18.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.63 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1325 ' ' ASP . . . . . 0.403 ' O ' HD12 ' A' 1322 ' ' LEU . 4.0 m-20 -121.66 72.74 31.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.065 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -82.46 -9.04 11.45 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.743 2.295 . . . . 0.0 112.326 -175.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1327 ' ' ALA . . . . . 0.559 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -97.19 2.34 50.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 -177.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 14.5 m -93.07 101.21 5.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.289 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1329 ' ' PRO . . . . . 0.578 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 18.1 Cg_exo -66.58 -32.47 38.81 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.001 2.468 . . . . 0.0 112.777 -175.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 8.8 t30 -66.77 -31.08 71.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.639 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1331 ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' 1322 ' ' LEU . 21.0 tp -68.75 -25.01 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.724 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.578 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 3.7 mptp? -63.71 -45.38 90.23 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.227 0.537 . . . . 0.0 109.606 174.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 22.3 m -68.73 -35.43 77.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.263 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -65.39 -39.47 92.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 0.0 109.944 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1335 ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' 1256 ' ' LEU . 8.2 tt -63.38 -48.74 76.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.718 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.5 -37.8 76.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.54 83.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.985 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' 1342 ' ' VAL . . . -66.55 -38.76 87.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1339 ' ' ALA . . . . . 0.645 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -63.83 -38.35 90.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.173 0.511 . . . . 0.0 110.457 177.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -37.66 88.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.059 176.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.17 84.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.79 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' 1346 ' ' ILE . 96.4 t -58.71 -51.47 71.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.939 0.399 . . . . 0.0 110.363 177.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 23.4 m -60.0 -37.07 78.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.702 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.88 -47.38 83.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.774 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 45.7 m -65.23 -37.8 88.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.508 ' O ' HG12 ' A' 1350 ' ' ILE . 91.2 mt -58.25 -54.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.007 0.432 . . . . 0.0 109.912 176.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -62.41 -33.59 75.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.261 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.67 -47.27 86.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.452 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.561 HD23 ' HB2' ' A' 1304 ' ' ASN . 2.7 tm? -71.27 -37.7 71.89 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' 1346 ' ' ILE . 33.0 mm -65.71 -36.67 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.171 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 41.5 m -66.59 -34.66 78.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.934 0.397 . . . . 0.0 110.42 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 64.3 mtt -80.31 -27.87 38.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.807 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 13.0 p -67.83 -27.62 66.87 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.1 0.476 . . . . 0.0 109.883 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 18.1 p -92.18 162.95 14.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.777 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -67.3 106.22 1.99 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.579 0.704 . . . . 0.0 109.71 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1356 ' ' GLN . . . . . 0.413 ' HG2' ' H ' ' A' 1356 ' ' GLN . 13.3 pt20 -84.34 118.23 24.09 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.576 -172.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.89 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.215 176.304 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 49.0 mm 69.47 103.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 123.082 0.553 . . . . 0.0 111.485 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 14.2 t70 72.87 115.51 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.413 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.858 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -80.68 6.46 5.46 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 123.0 2.466 . . . . 0.0 113.285 -176.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 96.7 m-85 66.22 1.66 2.07 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.16 0.584 . . . . 0.0 112.003 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1205 ' ' THR . . . . . . . . . . . . . 90.2 m -65.7 -43.11 90.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.252 0.548 . . . . 0.0 111.222 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.446 ' O ' HG22 ' A' 1209 ' ' VAL . 71.1 mt-30 -74.94 -28.17 60.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -75.75 -21.97 56.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.855 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.4 -42.38 77.86 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.632 0.253 . . . . 0.0 111.667 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.558 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 34.3 m -71.25 -22.57 22.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.919 0.39 . . . . 0.0 110.697 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -80.82 -48.59 12.22 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.053 0.454 . . . . 0.0 110.064 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 39.6 t30 -62.15 -37.22 84.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.075 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -56.21 -36.52 68.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.317 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1213 ' ' LEU . . . . . 0.607 HD11 ' HD2' ' A' 1320 ' ' LYS . 38.7 mt -66.49 -36.3 82.39 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.089 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -60.41 -38.08 82.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.41 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1215 ' ' ALA . . . . . 0.417 ' HB1' ' OG ' ' A' 1279 ' ' SER . . . -69.88 -44.85 68.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.104 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.547 HG13 ' CE2' ' A' 1278 ' ' PHE . 67.7 t -70.51 -47.54 64.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.574 -177.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -65.4 -47.47 78.77 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.089 -0.576 . . . . 0.0 112.799 -176.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1218 ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' 1222 ' ' ARG . 31.3 t70 -65.49 -35.46 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.191 -0.203 . . . . 0.0 111.011 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1219 ' ' ALA . . . . . 0.431 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -61.76 -47.67 84.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.991 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 33.8 m -62.53 -42.02 99.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.214 0.53 . . . . 0.0 110.495 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -66.67 -40.15 88.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.19 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1222 ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' 1218 ' ' ASP . 0.2 OUTLIER -73.57 -47.52 39.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.094 -175.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.757 HD22 ' HG3' ' A' 1229 ' ' PRO . 62.8 mt -84.44 -25.86 28.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -169.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 83.9 mt -104.09 6.51 35.92 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.617 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 28.2 m -155.51 132.92 11.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.456 0.17 . . . . 0.0 111.224 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 18.9 t70 73.72 -58.16 0.6 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.457 0.703 . . . . 0.0 112.295 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 57.0 tp -102.08 141.62 34.63 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.188 0.518 . . . . 0.0 111.333 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 88.2 mt -106.32 129.69 24.13 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 169.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.757 ' HG3' HD22 ' A' 1223 ' ' LEU . 68.9 Cg_exo -52.06 123.05 11.66 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.948 2.432 . . . . 0.0 112.714 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1230 ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 24.3 Cg_exo -63.41 132.38 35.66 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.754 2.302 . . . . 0.0 110.622 175.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 59.0 m -71.05 94.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.221 0.534 . . . . 0.0 111.529 -175.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 28.2 m -87.15 -32.55 19.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.023 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -106.89 120.97 6.39 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.172 172.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.04 -172.04 1.26 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.597 0.236 . . . . 0.0 111.308 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1235 ' ' PHE . . . . . 0.527 ' HA ' ' OE1' ' A' 1291 ' ' GLN . 81.1 m-85 -51.22 133.73 28.1 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.583 177.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 64.0 tt0 72.71 -47.29 0.67 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.083 0.865 . . . . 0.0 111.351 -176.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.83 -31.42 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.878 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.96 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.308 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -71.86 -42.12 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.161 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 16.7 m -59.8 -35.09 73.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.962 0.411 . . . . 0.0 110.482 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -72.12 -46.72 55.47 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.196 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1242 ' ' LEU . . . . . 0.449 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 36.1 tp -60.06 -41.77 93.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.79 177.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -60.52 -36.64 78.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.86 -42.2 86.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.666 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -73.32 -35.51 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.919 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.91 63.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.434 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -58.44 -35.53 72.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.303 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -72.54 -43.63 43.8 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.26 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.7 tp -68.6 -30.55 69.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.672 0.272 . . . . 0.0 110.902 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -58.39 -40.59 82.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 0.0 110.477 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -76.14 -34.36 59.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.72 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1252 ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' 1255 ' ' GLU . . . -60.72 -34.1 73.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1253 ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' 1257 ' ' VAL . . . -69.92 -44.05 70.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.095 174.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.0 m -55.07 -36.15 65.29 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.693 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' 1252 ' ' ALA . 66.9 mm-40 -54.96 -50.09 69.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.245 175.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.442 ' HB3' HD21 ' A' 1335 ' ' LEU . 64.2 mt -66.7 -32.58 73.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.964 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1257 ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' 1253 ' ' ALA . 57.9 t -63.66 -52.12 61.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.747 0.308 . . . . 0.0 111.03 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -70.31 -30.7 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.102 0.477 . . . . 0.0 110.474 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -72.26 -27.6 62.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1260 ' ' SER . . . . . 0.449 ' HB2' HD22 ' A' 1335 ' ' LEU . 28.1 t -56.53 -32.46 65.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.928 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1261 ' ' ARG . . . . . 0.454 ' HD2' HH11 ' A' 1261 ' ' ARG . 13.5 mtp180 -109.5 17.52 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -113.74 -99.17 2.33 Favored Glycine 0 N--CA 1.439 -1.156 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 13.1 p -140.88 160.26 59.11 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.543 0.211 . . . . 0.0 110.545 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1264 ' ' PRO . . . . . 0.614 ' HA ' HD12 ' A' 1267 ' ' LEU . 32.3 Cg_exo -60.59 -26.36 82.7 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.72 2.28 . . . . 0.0 111.938 174.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -70.96 -37.95 72.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.448 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -65.32 -44.32 88.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.748 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' 1264 ' ' PRO . 87.0 mt -54.22 -44.26 71.54 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.894 176.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -59.79 -54.99 39.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.54 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.58 -31.81 70.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.517 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -70.08 -43.83 70.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.722 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 46.7 m -58.21 -45.56 87.45 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.43 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.32 -44.74 96.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.718 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1273 ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' 1273 ' ' ARG . 28.1 mtm180 -73.37 -44.23 59.04 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.297 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1274 ' ' PHE . . . . . 0.508 ' HD2' HD21 ' A' 1316 ' ' LEU . 73.0 t80 -57.76 -41.84 82.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.729 -177.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -68.19 -42.89 82.49 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.632 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -69.2 -47.2 65.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.672 0.272 . . . . 0.0 110.989 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.52 -35.99 81.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.651 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.547 ' CE2' HG13 ' A' 1216 ' ' VAL . 74.4 t80 -62.59 -39.4 93.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.627 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1279 ' ' SER . . . . . 0.417 ' OG ' ' HB1' ' A' 1215 ' ' ALA . 22.0 m -57.24 -48.81 77.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.374 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 24.6 m -71.54 -37.77 71.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.691 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1281 ' ' PHE . . . . . 0.451 ' HE2' HG21 ' A' 1308 ' ' ILE . 80.9 t80 -57.5 -51.56 68.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.793 177.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' 1286 ' ' VAL . 41.7 tp -64.12 -40.4 96.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.982 -177.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1283 ' ' GLU . . . . . 0.427 ' HA ' HD13 ' A' 1223 ' ' LEU . 37.7 mt-10 -57.71 -48.63 79.02 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.728 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -64.33 -34.56 78.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.929 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1285 ' ' GLY . . . . . 0.459 ' O ' ' HG2' ' A' 1288 ' ' MET . . . -64.24 -47.34 85.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.355 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.559 ' HB ' ' HG2' ' A' 1229 ' ' PRO . 7.5 t -74.43 -24.35 18.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.274 0.559 . . . . 0.0 109.904 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.27 -42.53 83.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.677 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.643 ' O ' ' HG2' ' A' 1291 ' ' GLN . 12.9 ptm -68.54 -24.9 64.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.042 0.449 . . . . 0.0 109.853 176.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1289 ' ' ALA . . . . . 0.678 ' HB1' ' HG3' ' A' 1298 ' ' ARG . . . -73.3 -8.71 56.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.151 0.501 . . . . 0.0 110.362 173.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -91.1 -27.63 17.96 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.153 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' 1288 ' ' MET . 29.4 pt20 -78.13 -12.58 60.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.211 0.529 . . . . 0.0 109.731 177.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1292 ' ' ALA . . . . . 0.482 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -85.44 115.98 63.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.36 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1293 ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.6 Cg_exo -74.74 -27.66 10.35 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.068 2.512 . . . . 0.0 112.66 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 26.7 m -84.82 129.45 34.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.906 0.384 . . . . 0.0 111.038 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.66 -38.28 90.5 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.967 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.97 -38.92 76.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 0.0 110.384 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.94 -41.86 97.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.265 0.555 . . . . 0.0 109.802 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.678 ' HG3' ' HB1' ' A' 1289 ' ' ALA . 65.8 ttt180 -60.56 -43.05 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.461 174.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.36 79.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.021 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -58.54 -54.02 51.81 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.579 ' O ' ' HG ' ' A' 1305 ' ' LEU . 3.7 p -68.2 -34.38 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.032 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.573 ' HA ' HD12 ' A' 1305 ' ' LEU . 60.5 t -67.5 -30.76 49.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.69 0.281 . . . . 0.0 111.213 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 34.4 m -63.41 -38.1 89.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.853 0.359 . . . . 0.0 110.153 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -65.37 -42.11 93.07 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.369 0.604 . . . . 0.0 109.971 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.2 mt -58.3 -48.14 81.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.715 -176.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.24 -41.82 97.54 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.35 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -55.14 -45.43 82.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.609 -177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1308 ' ' ILE . . . . . 0.451 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -77.52 -36.06 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 122.62 -0.341 . . . . 0.0 110.465 179.131 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1309 ' ' SER . . . . . 0.465 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 50.3 m -64.75 -46.96 79.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 111.281 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1310 ' ' MET . . . . . 0.599 ' O ' ' HG3' ' A' 1314 ' ' LYS . 19.1 ptm -66.04 -38.33 88.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.225 -178.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 22.4 m -70.72 -35.19 72.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.245 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 38.9 t -62.56 -44.39 96.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.504 0.669 . . . . 0.0 109.336 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.533 ' O ' ' HG ' ' A' 1317 ' ' LEU . 64.0 m -58.43 -51.32 70.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.641 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' 1310 ' ' MET . 85.9 mttt -65.75 -32.87 74.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.155 -177.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.585 HD22 ' HA ' ' A' 1339 ' ' ALA . 46.3 tp -65.39 -46.96 78.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.996 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.552 ' O ' ' HG3' ' A' 1320 ' ' LYS . 99.4 mt -65.57 -32.74 74.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.777 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' 1313 ' ' SER . 95.8 mt -61.79 -35.25 77.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.002 0.429 . . . . 0.0 110.434 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.86 -36.23 75.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.343 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -65.58 -33.29 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.721 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1320 ' ' LYS . . . . . 0.607 ' HD2' HD11 ' A' 1213 ' ' LEU . 6.2 mtpm? -64.33 -47.72 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.129 0.49 . . . . 0.0 110.187 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1321 ' ' ALA . . . . . 0.424 ' C ' HD21 ' A' 1331 ' ' LEU . . . -66.5 -33.66 76.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.782 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' 1325 ' ' ASP . 24.6 tp -81.7 -16.81 50.03 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 10.0 p -85.39 -26.06 26.67 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.411 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 6.5 t -91.54 -30.27 16.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 109.913 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1325 ' ' ASP . . . . . 0.42 ' O ' HD12 ' A' 1322 ' ' LEU . 10.0 t70 -128.16 92.91 40.35 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.342 176.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -92.85 14.83 1.56 Allowed 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 122.793 2.328 . . . . 0.0 112.316 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -102.22 -42.71 5.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.732 -174.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1328 ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 18.4 m -61.68 111.68 4.83 Favored Pre-proline 0 CA--C 1.533 0.296 0 O-C-N 123.293 0.37 . . . . 0.0 111.714 -175.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1329 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1328 ' ' SER . 21.8 Cg_exo -65.54 -31.78 50.06 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.021 2.481 . . . . 0.0 111.931 -178.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -62.76 -28.24 69.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.417 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1331 ' ' LEU . . . . . 0.424 HD21 ' C ' ' A' 1321 ' ' ALA . 20.5 tp -76.17 -34.41 59.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.441 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' 1260 ' ' SER . 4.4 mptp? -58.02 -53.05 62.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.16 0.505 . . . . 0.0 109.924 174.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 43.5 m -64.27 -39.57 94.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.146 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.79 -43.47 94.4 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.715 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1335 ' ' LEU . . . . . 0.449 HD22 ' HB2' ' A' 1260 ' ' SER . 9.7 tt -64.07 -48.19 77.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.988 177.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1336 ' ' ALA . . . . . 0.624 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -56.71 -39.55 74.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.236 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.93 99.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.166 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' 1342 ' ' VAL . . . -69.67 -37.68 76.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.497 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1339 ' ' ALA . . . . . 0.585 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.23 -43.72 98.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.794 177.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1340 ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' 1336 ' ' ALA . 29.6 mmt180 -59.59 -41.92 91.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.194 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.57 99.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.977 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' 1346 ' ' ILE . 89.7 t -62.3 -52.91 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.457 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1343 ' ' THR . . . . . 0.415 ' HA ' HD12 ' A' 1346 ' ' ILE . 25.7 m -61.76 -34.69 76.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 110.812 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.98 -46.52 84.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.536 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 48.8 m -72.79 -28.36 62.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.425 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' 1342 ' ' VAL . 91.7 mt -61.23 -54.43 35.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.947 0.403 . . . . 0.0 110.188 175.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 6.9 p30 -71.76 -28.87 63.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.298 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -60.88 -46.56 90.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.836 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.0 -52.06 67.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.205 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.449 ' CD1' ' HG ' ' A' 1242 ' ' LEU . 41.0 mm -62.35 -45.82 97.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.389 -177.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 50.2 m -69.48 -43.95 72.13 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 93.0 mmm -76.25 -27.23 56.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.605 0.241 . . . . 0.0 111.578 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1353 ' ' CYS . . . . . 0.461 ' HB3' ' HE1' ' A' 1288 ' ' MET . 94.7 m -86.06 -66.52 0.89 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.442 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 66.5 p 44.56 -134.72 0.65 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.273 0.358 . . . . 0.0 110.719 -171.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -139.22 8.43 2.46 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -131.93 -34.68 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.135 -173.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.644 -0.693 . . . . 0.0 110.769 179.893 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 10.3 tt -119.28 120.78 64.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.255 0.55 . . . . 0.0 110.855 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -141.62 127.76 11.14 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.472 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1203 ' ' PRO . . . . . 0.413 ' HB2' ' HG2' ' A' 1206 ' ' GLN . 35.2 Cg_endo -65.86 97.39 0.33 Allowed 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.497 2.131 . . . . 0.0 112.228 -179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -67.27 -22.76 65.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.973 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1205 ' ' THR . . . . . 0.635 ' O ' ' HB1' ' A' 1268 ' ' ALA . 22.5 m -60.88 -49.97 75.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.294 175.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.413 ' HG2' ' HB2' ' A' 1203 ' ' PRO . 12.7 mm100 -61.69 -29.19 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' 1207 ' ' ARG . 22.4 mmt180 -70.71 -17.63 62.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.269 -178.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1208 ' ' ASP . . . . . 0.721 ' HA ' ' HB3' ' A' 1211 ' ' ASN . 23.4 m-20 -62.5 -22.73 66.5 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -174.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1209 ' ' VAL . . . . . . . . . . . . . 33.4 m -71.32 -28.66 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.885 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -83.53 -45.97 12.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.845 173.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1211 ' ' ASN . . . . . 0.721 ' HB3' ' HA ' ' A' 1208 ' ' ASP . 34.6 t30 -51.99 -43.6 63.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.096 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1212 ' ' ALA . . . . . 0.567 ' HB1' HD13 ' A' 1316 ' ' LEU . . . -53.81 -54.55 36.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.32 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1213 ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' 1316 ' ' LEU . 59.2 mt -63.8 -39.61 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -58.87 -44.32 91.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.564 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.7 -48.74 53.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.58 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1216 ' ' VAL . . . . . . . . . . . . . 88.9 t -60.54 -42.75 92.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.97 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -70.11 -26.31 74.45 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.57 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1218 ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' A' 1221 ' ' LYS . 14.0 t70 -83.87 -39.19 20.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.365 . . . . 0.0 110.969 -177.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1219 ' ' ALA . . . . . 0.452 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -63.05 -44.7 95.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.304 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1220 ' ' SER . . . . . 0.588 ' O ' ' HB2' ' A' 1224 ' ' LEU . 15.0 p -67.96 -26.79 66.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.408 0.623 . . . . 0.0 110.294 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1221 ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' 1218 ' ' ASP . 27.2 ttmt -69.16 -57.04 5.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.798 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -70.7 -54.06 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.927 -177.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.513 ' HA ' ' HB3' ' A' 1227 ' ' LEU . 83.5 mt -67.35 -42.59 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -169.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1224 ' ' LEU . . . . . 0.588 ' HB2' ' O ' ' A' 1220 ' ' SER . 4.6 mm? -76.67 8.53 3.52 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.06 0.457 . . . . 0.0 112.057 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 66.6 m -96.93 32.12 2.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.801 174.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 19.4 t70 67.25 35.09 4.57 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.155 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1227 ' ' LEU . . . . . 0.513 ' HB3' ' HA ' ' A' 1223 ' ' LEU . 4.0 tt -89.83 97.36 11.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.032 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1228 ' ' LEU . . . . . 0.49 HD22 ' HA3' ' A' 1290 ' ' GLY . 63.8 mt -97.11 111.95 59.39 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.152 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' 1228 ' ' LEU . 25.5 Cg_endo -63.36 127.61 20.44 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.476 2.117 . . . . 0.0 111.593 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.66 108.88 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.092 2.528 . . . . 0.0 112.177 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 7.2 m -90.65 137.09 32.63 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.038 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 5.0 m -87.21 -1.22 57.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.845 0.831 . . . . 0.0 110.157 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 147.11 -74.95 0.29 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.805 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1234 ' ' THR . . . . . 0.771 ' HA ' ' HB3' ' A' 1237 ' ' GLU . 39.5 p 42.53 -96.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 176.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 36.3 t80 56.87 -82.75 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.528 0.731 . . . . 0.0 110.493 -173.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.62 -34.06 69.49 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.317 0.579 . . . . 0.0 109.528 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1237 ' ' GLU . . . . . 0.771 ' HB3' ' HA ' ' A' 1234 ' ' THR . 38.4 tt0 -67.62 -38.29 83.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.025 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1238 ' ' ALA . . . . . 0.514 ' HB2' ' HB ' ' A' 1234 ' ' THR . . . -69.31 -30.12 68.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.102 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -68.0 -44.71 75.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.552 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 35.2 t -63.02 -35.48 80.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.677 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -61.73 -40.21 94.27 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.859 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1242 ' ' LEU . . . . . 0.469 HD12 ' SD ' ' A' 1288 ' ' MET . 1.0 OUTLIER -61.54 -38.99 89.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.656 176.414 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -66.84 -41.38 87.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.826 0.346 . . . . 0.0 110.458 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.89 -50.9 71.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.288 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -66.33 -34.04 77.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.189 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.12 74.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.254 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.91 93.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.697 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.71 -44.3 96.55 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.102 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 26.0 tp -73.07 -35.15 66.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.77 0.319 . . . . 0.0 110.765 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -61.7 -40.16 94.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.12 0.486 . . . . 0.0 110.289 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' 1255 ' ' GLU . 23.7 tt0 -73.3 -33.2 65.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.276 176.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1252 ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -62.0 -38.11 87.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.964 0.411 . . . . 0.0 110.43 176.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1253 ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' 1257 ' ' VAL . . . -65.02 -39.3 93.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.135 0.493 . . . . 0.0 109.793 172.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 76.1 m -62.08 -37.82 86.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.713 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' 1251 ' ' GLN . 42.7 mm-40 -55.68 -49.83 71.9 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.992 174.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.472 ' HB3' HD21 ' A' 1335 ' ' LEU . 52.4 mt -62.21 -34.77 77.1 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.263 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1257 ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' 1253 ' ' ALA . 80.6 t -62.2 -52.28 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.753 0.311 . . . . 0.0 110.703 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -61.7 -43.1 99.49 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.158 0.504 . . . . 0.0 110.587 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1259 ' ' ALA . . . . . 0.505 ' HB1' ' CA ' ' A' 1267 ' ' LEU . . . -67.88 -33.31 74.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.818 -178.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1260 ' ' SER . . . . . 0.532 ' HA ' HD21 ' A' 1322 ' ' LEU . 35.5 t -61.12 -32.37 72.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.963 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -58.51 -29.68 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.385 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 137.42 91.88 0.28 Allowed Glycine 0 CA--C 1.499 -0.929 0 C-N-CA 120.117 -1.039 . . . . 0.0 115.449 162.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1263 ' ' THR . . . . . 0.549 HG23 ' HB2' ' A' 1266 ' ' ASP . 0.0 OUTLIER -168.21 117.65 0.64 Allowed Pre-proline 0 N--CA 1.446 -0.625 0 CA-C-N 114.412 -0.894 . . . . 0.0 109.186 169.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1264 ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' 1263 ' ' THR . 35.2 Cg_exo -60.57 -43.19 34.41 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.373 2.715 . . . . 0.0 113.253 -170.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -67.65 -28.49 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1266 ' ' ASP . . . . . 0.549 ' HB2' HG23 ' A' 1263 ' ' THR . 2.1 m-20 -75.34 -56.0 5.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.189 176.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.505 ' CA ' ' HB1' ' A' 1259 ' ' ALA . 47.1 tp -54.79 -50.77 67.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.591 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1268 ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' 1205 ' ' THR . . . -61.61 -51.86 66.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.107 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1269 ' ' ARG . . . . . 0.665 ' HA ' ' HE ' ' A' 1269 ' ' ARG . 1.0 OUTLIER -61.6 -36.54 81.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.704 -179.363 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.68 95.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.637 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 16.6 m -59.8 -47.15 86.86 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.293 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -62.79 -34.44 89.75 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.632 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -75.7 -42.76 50.09 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.545 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1274 ' ' PHE . . . . . 0.409 ' CD2' HD21 ' A' 1316 ' ' LEU . 68.0 t80 -57.37 -47.03 82.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.617 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -66.38 -28.85 73.98 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.185 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -75.02 -51.91 12.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.09 -29.84 70.6 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.691 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.558 ' HE1' ' HA ' ' A' 1309 ' ' SER . 83.0 t80 -57.18 -47.68 80.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.048 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 91.0 p -63.75 -40.34 96.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.342 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 19.2 m -62.22 -37.14 84.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.226 0.536 . . . . 0.0 110.558 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1281 ' ' PHE . . . . . 0.419 ' HE2' HG21 ' A' 1308 ' ' ILE . 74.2 t80 -71.63 -51.16 24.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.753 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' 1286 ' ' VAL . 28.5 tp -61.64 -44.2 97.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.358 -175.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.56 -44.97 89.88 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.646 0.26 . . . . 0.0 111.277 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.1 99.66 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.028 0.442 . . . . 0.0 110.621 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.56 -45.62 95.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.183 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' 1223 ' ' LEU . 92.6 t -65.69 -36.01 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.437 0.16 . . . . 0.0 110.923 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1287 ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' 1291 ' ' GLN . 36.6 tt0 -61.26 -45.98 92.24 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.602 0.239 . . . . 0.0 110.623 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.494 ' HE1' ' HB2' ' A' 1353 ' ' CYS . 21.0 ptm -78.23 -26.82 47.5 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.985 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -68.17 -35.15 77.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.962 0.411 . . . . 0.0 110.426 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1290 ' ' GLY . . . . . 0.49 ' HA3' HD22 ' A' 1228 ' ' LEU . . . -71.67 -13.07 74.65 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.944 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' 1287 ' ' GLU . 9.6 pt20 -114.8 12.81 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.843 0.354 . . . . 0.0 111.334 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1292 ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -72.18 123.81 89.99 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.914 174.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1293 ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 22.8 Cg_exo -64.87 -55.83 0.46 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.144 2.562 . . . . 0.0 113.363 -174.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1294 ' ' SER . . . . . 0.427 ' HB2' ' HB3' ' A' 1297 ' ' ASP . 16.2 m -76.97 128.2 34.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.703 -177.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -64.42 -33.69 76.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.809 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.69 -45.3 79.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.475 0.655 . . . . 0.0 109.707 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1297 ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' A' 1294 ' ' SER . 34.8 t70 -64.25 -42.57 96.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.345 178.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.483 ' HA ' HG12 ' A' 1301 ' ' VAL . 71.5 ttt180 -63.82 -43.37 96.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.619 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.94 80.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.863 0.363 . . . . 0.0 110.527 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -63.59 -53.44 51.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.821 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.53 ' HA ' ' OD1' ' A' 1304 ' ' ASN . 12.2 p -63.34 -32.19 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.284 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.592 ' HA ' HD12 ' A' 1305 ' ' LEU . 72.9 t -69.41 -35.57 67.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.017 0.437 . . . . 0.0 110.682 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 12.7 t -68.09 -36.71 80.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.026 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1304 ' ' ASN . . . . . 0.661 ' CB ' ' HG ' ' A' 1349 ' ' LEU . 8.6 m120 -59.13 -40.12 84.46 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.235 0.541 . . . . 0.0 109.604 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.637 HD23 HD11 ' A' 1349 ' ' LEU . 89.5 mt -58.05 -42.67 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.523 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -67.86 -41.86 82.25 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.361 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.11 -45.13 63.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.436 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1308 ' ' ILE . . . . . 0.585 HG13 HG12 ' A' 1346 ' ' ILE . 0.0 OUTLIER -78.95 -41.1 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.972 179.416 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1309 ' ' SER . . . . . 0.558 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 68.3 m -59.11 -46.71 87.61 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.744 0.306 . . . . 0.0 111.031 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1310 ' ' MET . . . . . . . . . . . . . 51.1 mtm -58.82 -53.09 62.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.861 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 42.2 m -59.52 -38.76 81.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.314 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 50.8 m -65.7 -39.99 91.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.404 0.621 . . . . 0.0 110.069 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' 1317 ' ' LEU . 48.9 m -62.07 -50.97 69.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.386 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.596 ' HA ' HD12 ' A' 1317 ' ' LEU . 49.4 mttm -61.65 -32.67 72.85 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.33 -178.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.407 HD23 ' CZ ' ' A' 1274 ' ' PHE . 41.6 tp -65.89 -48.93 69.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 110.928 177.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.567 HD13 ' HB1' ' A' 1212 ' ' ALA . 79.9 mt -66.01 -26.57 67.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.24 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' 1314 ' ' LYS . 95.0 mt -59.87 -27.66 66.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.776 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.81 57.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.184 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.46 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -51.38 -50.07 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.777 174.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -78.35 -29.01 47.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.429 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' 1260 ' ' SER . 36.1 tp -78.09 -21.55 50.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.574 -175.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 21.5 p -74.4 -28.95 61.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.101 0.477 . . . . 0.0 110.452 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 17.3 p -92.53 -30.44 15.67 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 176.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1325 ' ' ASP . . . . . 0.466 ' O ' HD12 ' A' 1322 ' ' LEU . 10.4 t70 -127.69 89.83 49.82 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.156 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -92.09 16.57 1.42 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.63 2.22 . . . . 0.0 112.203 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -105.91 -39.14 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.028 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 23.6 m -62.74 115.31 16.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.925 0.393 . . . . 0.0 111.503 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1329 ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 21.7 Cg_exo -64.89 -33.95 50.54 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.079 2.519 . . . . 0.0 112.043 -178.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -63.43 -25.96 68.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.749 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 14.6 tp -76.02 -30.65 58.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.875 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.3 mptm? -62.16 -47.35 84.93 Favored 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 10.0 m -62.12 -36.56 82.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.207 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.36 -46.29 87.23 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 110.338 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1335 ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.1 tt -67.01 -46.75 73.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.299 -179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1336 ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -55.86 -42.28 75.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.051 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.86 86.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.024 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.05 -35.27 79.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -61.57 -39.92 92.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.638 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1340 ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' 1336 ' ' ALA . 36.4 mmt180 -60.42 -40.5 91.22 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 177.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.63 94.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.726 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' 1338 ' ' ALA . 79.8 t -65.49 -52.3 53.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.68 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 41.8 m -56.22 -46.7 79.42 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.039 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.06 -45.47 94.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.222 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 27.5 m -65.29 -37.7 87.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.131 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.585 HG12 HG13 ' A' 1308 ' ' ILE . 79.9 mt -61.83 -53.23 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.031 0.443 . . . . 0.0 110.378 177.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -64.04 -37.73 88.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.852 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -62.32 -36.12 81.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.635 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.661 ' HG ' ' CB ' ' A' 1304 ' ' ASN . 2.8 tt -64.83 -50.89 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.618 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 37.4 mm -63.29 -44.34 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.159 -177.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 95.8 m -56.3 -36.6 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 111.204 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 21.9 mmt -78.12 -46.75 19.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.578 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1353 ' ' CYS . . . . . 0.618 ' SG ' ' HA ' ' A' 1350 ' ' ILE . 28.7 p -75.09 -25.04 58.23 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -174.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 36.7 m -68.03 96.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -69.06 95.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.111 0.481 . . . . 0.0 109.977 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -167.65 92.81 0.39 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.801 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.465 -0.779 . . . . 0.0 109.944 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 6.0 tp -137.45 122.83 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.103 0.478 . . . . 0.0 111.061 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1202 ' ' ASP . . . . . 0.409 ' OD2' ' HG2' ' A' 1207 ' ' ARG . 2.6 p-10 -99.82 137.92 20.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.741 177.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -65.55 -71.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.317 2.011 . . . . 0.0 111.251 176.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -145.36 76.01 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.833 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1205 ' ' THR . . . . . 0.494 ' HA ' ' HB2' ' A' 1268 ' ' ALA . 24.4 m -131.79 -55.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.906 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.493 ' O ' HG22 ' A' 1209 ' ' VAL . 48.1 mt-30 -91.12 -28.02 18.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.371 0.605 . . . . 0.0 109.607 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.409 ' HG2' ' OD2' ' A' 1202 ' ' ASP . 11.8 mmt180 -60.72 -41.53 95.46 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.01 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.05 -31.38 71.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.563 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 29.7 m -80.58 -27.88 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.368 -176.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -82.77 -44.5 15.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 9.9 t30 -60.15 -33.94 72.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.585 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1212 ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' 1216 ' ' VAL . . . -59.63 -47.24 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.648 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1213 ' ' LEU . . . . . 0.596 HD21 ' HB2' ' A' 1316 ' ' LEU . 25.7 mt -64.82 -35.65 81.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.721 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -59.74 -43.55 94.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.969 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.68 -46.62 71.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.25 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.538 HG13 ' CE2' ' A' 1278 ' ' PHE . 76.6 t -60.6 -48.6 87.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.062 0.458 . . . . 0.0 110.865 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.79 -39.24 97.23 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.076 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.26 -48.8 79.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.47 . . . . 0.0 110.64 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1219 ' ' ALA . . . . . 0.554 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -61.94 -49.15 77.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.176 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1220 ' ' SER . . . . . 0.53 ' O ' ' HB3' ' A' 1224 ' ' LEU . 24.5 t -65.47 -24.56 67.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.952 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 57.1 tptt -78.24 -57.77 3.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.859 0.361 . . . . 0.0 111.016 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -73.75 -54.57 7.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.896 -173.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.67 ' HA ' ' O ' ' A' 1227 ' ' LEU . 57.4 mt -63.29 -39.35 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.863 -171.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1224 ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' 1220 ' ' SER . 14.6 tp -79.65 -24.36 41.89 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.157 -173.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 10.7 t -78.3 -45.63 22.21 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.816 -176.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -170.03 -35.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1227 ' ' LEU . . . . . 0.67 ' O ' ' HA ' ' A' 1223 ' ' LEU . 2.1 tt -69.31 84.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.177 0.513 . . . . 0.0 111.336 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 3.9 pp -114.82 155.69 45.99 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.447 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.604 ' HG2' ' HB2' ' A' 1287 ' ' GLU . 52.4 Cg_exo -55.93 112.19 0.99 Allowed 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.731 2.287 . . . . 0.0 112.538 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1230 ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 2.3 Cg_endo -81.32 113.8 2.7 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.137 2.558 . . . . 0.0 111.69 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 7.4 p 50.42 -175.74 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.95 0.9 . . . . 0.0 112.176 -175.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 1.7 m 65.95 22.29 11.3 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.52 0.676 . . . . 0.0 110.0 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -146.2 67.76 0.4 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.872 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 46.3 p -71.74 170.0 14.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.68 0.276 . . . . 0.0 110.841 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1235 ' ' PHE . . . . . 0.406 ' HA ' HE21 ' A' 1291 ' ' GLN . 31.5 p90 -54.96 -35.6 64.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.377 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -71.5 -47.99 51.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.626 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -62.88 -49.39 75.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.1 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -61.38 -36.3 79.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.058 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1239 ' ' GLN . . . . . 0.805 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 61.7 tt0 -62.76 -51.91 65.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.033 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1240 ' ' SER . . . . . 0.506 ' O ' ' HG2' ' A' 1244 ' ' GLU . 8.8 m -60.21 -36.05 76.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.368 0.604 . . . . 0.0 109.981 177.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -66.09 -44.63 83.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.893 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1242 ' ' LEU . . . . . 0.564 HD22 ' HB1' ' A' 1284 ' ' ALA . 2.7 mm? -65.63 -35.6 81.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -62.66 -42.7 99.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.759 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1244 ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' 1240 ' ' SER . 29.7 mm-40 -65.73 -44.99 84.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.366 0.603 . . . . 0.0 110.164 178.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -69.25 -42.16 75.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.725 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1246 ' ' ALA . . . . . 0.512 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -60.3 -53.84 52.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.989 -176.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.52 97.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.864 0.364 . . . . 0.0 111.002 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.45 94.28 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.041 178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 26.0 tp -71.01 -34.61 71.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.488 0.185 . . . . 0.0 110.757 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -59.62 -44.54 93.4 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 110.552 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' 1255 ' ' GLU . 27.1 tt0 -72.62 -32.63 66.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.226 176.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.32 91.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.92 0.391 . . . . 0.0 110.945 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1253 ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' 1257 ' ' VAL . . . -63.77 -41.57 97.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.33 0.586 . . . . 0.0 110.006 174.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 95.7 m -62.83 -33.66 75.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.158 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' 1251 ' ' GLN . 13.0 mm-40 -59.14 -41.72 88.96 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.712 176.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.58 ' HB3' HD21 ' A' 1335 ' ' LEU . 36.3 mt -67.06 -31.92 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.713 176.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1257 ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' 1253 ' ' ALA . 60.6 t -63.87 -50.29 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.796 178.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -73.31 -29.08 62.45 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.531 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.69 94.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.463 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1260 ' ' SER . . . . . 0.579 ' OG ' ' HA ' ' A' 1332 ' ' LYS . 14.8 t -56.51 -27.54 57.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.997 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -107.77 24.21 13.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.712 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -129.6 -99.64 0.9 Allowed Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.974 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 71.0 p -140.99 154.07 67.95 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.591 0.195 . . . . 0.0 111.101 -173.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.44 -34.35 88.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.887 2.392 . . . . 0.0 112.599 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -73.48 -26.76 61.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.547 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.45 -44.06 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.703 HD21 HD23 ' A' 1322 ' ' LEU . 5.4 mp -58.54 -42.1 87.05 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.662 174.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1268 ' ' ALA . . . . . 0.494 ' HB2' ' HA ' ' A' 1205 ' ' THR . . . -57.35 -54.87 41.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.243 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1269 ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' 1269 ' ' ARG . 37.1 ttp180 -56.33 -42.98 78.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.118 0.485 . . . . 0.0 110.317 177.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.96 99.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.13 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 32.8 m -64.47 -41.77 96.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.938 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -65.41 -45.9 88.3 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.438 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -63.05 -48.67 77.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 72.8 t80 -57.18 -48.57 78.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.973 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -67.24 -44.81 85.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.853 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.31 -42.51 83.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.92 -177.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.7 -35.58 67.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.538 ' CE2' HG13 ' A' 1216 ' ' VAL . 68.6 t80 -61.68 -39.84 92.87 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 176.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1279 ' ' SER . . . . . 0.613 ' O ' ' HG3' ' A' 1283 ' ' GLU . 50.2 m -55.26 -48.8 73.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.385 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 12.5 m -68.37 -35.88 78.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.776 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1281 ' ' PHE . . . . . 0.45 ' HE2' HG21 ' A' 1308 ' ' ILE . 77.9 t80 -61.19 -47.28 86.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.717 177.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.554 HD23 ' HB1' ' A' 1219 ' ' ALA . 29.7 tp -68.38 -37.39 80.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -177.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1283 ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' 1279 ' ' SER . 86.8 mt-10 -57.53 -43.73 84.56 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.041 0.448 . . . . 0.0 110.035 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1284 ' ' ALA . . . . . 0.564 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -68.45 -36.13 78.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.814 177.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1285 ' ' GLY . . . . . 0.427 ' HA3' HD21 ' A' 1305 ' ' LEU . . . -63.62 -45.33 94.84 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.372 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' 1282 ' ' LEU . 33.1 t -69.88 -28.67 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.126 0.489 . . . . 0.0 109.957 177.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1287 ' ' GLU . . . . . 0.604 ' HB2' ' HG2' ' A' 1229 ' ' PRO . 42.2 tt0 -59.73 -41.83 91.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.775 173.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.421 ' O ' ' HG3' ' A' 1291 ' ' GLN . 83.4 mmm -59.29 -47.4 85.52 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.489 174.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -58.66 -37.3 75.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.253 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -70.23 -39.51 71.58 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.862 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' 1288 ' ' MET . 0.0 OUTLIER -82.62 -13.49 56.41 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.629 -0.336 . . . . 0.0 111.448 -176.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -59.44 129.26 86.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.165 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.44 -64.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.861 2.374 . . . . 0.0 112.708 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 16.4 m -89.95 144.56 25.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.384 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1295 ' ' GLN . . . . . 0.606 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 53.7 mt-30 -74.75 -11.41 60.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.358 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.26 -38.51 65.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 173.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -72.75 -36.15 67.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.606 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 34.2 ttt180 -62.2 -45.72 92.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.225 175.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.77 81.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.595 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -61.92 -51.49 67.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.323 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.602 ' O ' ' HG ' ' A' 1305 ' ' LEU . 13.1 p -64.15 -35.15 72.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.944 -177.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.521 ' HA ' HD12 ' A' 1305 ' ' LEU . 62.9 t -69.25 -36.68 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 50.3 m -62.21 -38.42 89.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.54 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1304 ' ' ASN . . . . . 0.696 ' HB2' HD23 ' A' 1349 ' ' LEU . 40.0 m-20 -64.1 -43.02 96.64 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.248 0.547 . . . . 0.0 109.581 175.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.5 mt -57.54 -49.69 75.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.939 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -59.39 -45.64 90.9 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.27 -48.52 63.67 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.273 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1308 ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' 1308 ' ' ILE . 0.1 OUTLIER -73.73 -36.64 47.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.903 0.352 . . . . 0.0 110.274 -179.266 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 48.8 m -63.35 -42.26 98.9 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1310 ' ' MET . . . . . 0.489 ' O ' ' HG3' ' A' 1314 ' ' LYS . 26.2 ptt? -72.11 -36.93 69.57 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.204 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 48.0 m -67.8 -41.46 83.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.997 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 29.6 p -64.53 -39.68 94.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.457 0.646 . . . . 0.0 109.937 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.544 ' O ' ' HG ' ' A' 1317 ' ' LEU . 64.6 m -61.34 -50.98 70.73 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.925 176.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' 1317 ' ' LEU . 57.2 mttm -63.74 -29.78 70.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.813 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' 1339 ' ' ALA . 35.3 tp -67.12 -50.63 60.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.698 175.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.596 ' HB2' HD21 ' A' 1213 ' ' LEU . 87.9 mt -64.66 -26.96 68.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.477 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 1313 ' ' SER . 92.1 mt -58.33 -38.53 77.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.702 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -74.9 -34.16 62.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.44 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.17 96.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.829 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1320 ' ' LYS . . . . . 0.563 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 27.8 mtmt -63.34 -44.28 95.31 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.219 0.533 . . . . 0.0 110.872 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.31 93.34 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.721 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.703 HD23 HD21 ' A' 1267 ' ' LEU . 33.1 tp -75.19 -23.67 57.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.706 -176.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 9.1 p -79.75 -14.51 58.68 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.125 -0.359 . . . . 0.0 111.173 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 12.1 t -106.95 -22.02 12.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.056 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 8.5 t0 -135.98 86.89 25.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -86.16 0.87 8.07 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.441 2.094 . . . . 0.0 112.667 -178.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -89.15 -35.2 16.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1328 ' ' SER . . . . . 0.471 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 49.7 m -64.45 113.14 9.48 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.052 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1329 ' ' PRO . . . . . 0.616 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 10.9 Cg_exo -71.3 -29.28 17.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.175 2.583 . . . . 0.0 112.78 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.18 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 111.018 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.03 -28.41 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.717 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.616 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 2.7 mptp? -66.99 -51.67 52.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 2.3 m -61.75 -42.92 99.6 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.73 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.03 -38.95 92.55 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.946 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1335 ' ' LEU . . . . . 0.58 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.0 tt -66.7 -49.22 66.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.21 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.98 76.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -68.92 -33.9 74.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' 1342 ' ' VAL . . . -73.65 -39.79 64.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.694 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1339 ' ' ALA . . . . . 0.48 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -62.62 -37.2 85.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.153 0.501 . . . . 0.0 110.334 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -60.61 -39.96 90.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.596 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.7 90.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.768 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' 1346 ' ' ILE . 95.5 t -60.75 -50.9 78.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.774 178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 62.2 m -52.41 -45.39 65.89 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.359 0.412 . . . . 0.0 111.524 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.74 -51.99 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.384 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 5.8 p -66.82 -31.15 71.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.085 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.576 ' O ' HG12 ' A' 1350 ' ' ILE . 74.3 mt -59.21 -50.49 79.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -71.33 -29.12 64.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.779 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -62.33 -38.46 89.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.265 0.555 . . . . 0.0 110.053 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.696 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.4 tm? -70.91 -42.53 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.394 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' 1346 ' ' ILE . 35.9 mm -65.6 -27.15 40.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.35 -178.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 62.0 m -60.85 -30.59 70.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.265 0.555 . . . . 0.0 110.508 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1352 ' ' MET . . . . . 0.434 ' HG2' ' HB ' ' A' 1301 ' ' VAL . 45.4 tpp -78.4 -34.33 48.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.512 177.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1353 ' ' CYS . . . . . 0.805 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 37.3 t -76.43 -59.13 2.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.687 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 30.6 m -121.56 110.66 16.28 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.22 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.47 141.8 58.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.106 0.479 . . . . 0.0 111.211 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -82.83 123.61 29.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.052 -175.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.699 176.586 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.897 0 N-CA-C 111.921 -0.472 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 32.4 pt -68.67 -35.8 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.95 0.405 . . . . 0.0 110.022 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1202 ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' 1203 ' ' PRO . 7.3 p-10 -86.72 132.15 43.22 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1203 ' ' PRO . . . . . 0.554 ' O ' ' HG3' ' A' 1207 ' ' ARG . 27.5 Cg_exo -62.1 121.94 10.2 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.778 2.319 . . . . 0.0 112.85 -175.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1204 ' ' PHE . . . . . 0.419 ' O ' ' HB ' ' A' 1205 ' ' THR . 43.4 t80 -138.21 155.5 48.61 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.606 -0.886 . . . . 0.0 108.606 174.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1205 ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' 1204 ' ' PHE . 71.1 m 75.0 -52.36 0.67 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 122.785 0.434 . . . . 0.0 110.969 -177.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -65.48 -29.32 69.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.085 0.469 . . . . 0.0 110.347 172.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' 1203 ' ' PRO . 1.5 mmp_? -68.87 -27.9 66.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.703 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.5 -41.16 84.71 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.595 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.527 ' HB ' ' CD ' ' A' 1320 ' ' LYS . 2.3 m -83.98 -26.7 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.798 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -80.84 -53.86 6.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.787 0.327 . . . . 0.0 111.122 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -65.58 -27.08 68.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -57.9 -34.88 70.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.032 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 39.4 mt -72.15 -34.93 68.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -75.69 -35.4 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.383 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.58 80.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.982 0.42 . . . . 0.0 110.488 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.566 HG13 ' CE2' ' A' 1278 ' ' PHE . 96.9 t -68.67 -39.02 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.347 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.69 -54.32 32.17 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.946 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1218 ' ' ASP . . . . . 0.541 ' HA ' ' HE2' ' A' 1221 ' ' LYS . 52.2 m-20 -54.71 -46.99 74.28 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.705 0.288 . . . . 0.0 110.995 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1219 ' ' ALA . . . . . 0.454 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -60.78 -47.78 84.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1220 ' ' SER . . . . . 0.514 ' HA ' HD23 ' A' 1224 ' ' LEU . 11.7 p -68.32 -39.13 82.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.691 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1221 ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' 1218 ' ' ASP . 44.5 mtmt -62.09 -38.25 88.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.75 0.31 . . . . 0.0 110.954 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -77.2 -60.16 2.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.36 0.6 . . . . 0.0 110.794 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.72 ' HB3' HG21 ' A' 1286 ' ' VAL . 85.0 mt -65.8 -44.34 85.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.916 -168.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1224 ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' 1220 ' ' SER . 4.1 mm? -73.6 3.15 6.66 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.12 0.486 . . . . 0.0 111.848 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 31.6 m -103.35 15.44 29.1 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 24.1 t70 62.08 62.26 1.23 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.562 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 93.2 mt -124.56 105.78 9.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.731 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1228 ' ' LEU . . . . . 0.89 HD22 ' HA ' ' A' 1287 ' ' GLU . 41.6 mt -99.72 140.19 21.39 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.044 -177.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' A' 1230 ' ' PRO . 71.6 Cg_exo -52.37 140.03 53.92 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.828 2.352 . . . . 0.0 111.96 177.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1230 ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 36.7 Cg_exo -57.19 108.86 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.127 2.552 . . . . 0.0 112.963 -175.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 19.7 t 50.87 76.67 0.15 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.357 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 7.9 m -152.13 148.52 27.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.043 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1233 ' ' GLY . . . . . 0.563 ' HA2' ' HB3' ' A' 1237 ' ' GLU . . . 59.8 67.2 2.27 Favored Glycine 0 N--CA 1.452 -0.282 0 O-C-N 123.519 0.512 . . . . 0.0 113.387 173.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 4.8 m -70.96 84.51 0.68 Allowed 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 120.743 0.306 . . . . 0.0 111.007 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 4.1 m-85 65.83 -90.74 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.965 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -65.32 -39.21 92.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.799 -0.182 . . . . 0.0 110.873 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1237 ' ' GLU . . . . . 0.563 ' HB3' ' HA2' ' A' 1233 ' ' GLY . 3.2 tm-20 -54.68 -46.36 74.08 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.03 81.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.742 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -64.41 -52.96 55.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.424 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 28.4 m -60.49 -30.79 69.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.039 0.447 . . . . 0.0 110.549 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -74.59 -33.96 62.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.378 0.608 . . . . 0.0 109.585 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1242 ' ' LEU . . . . . 0.45 HD21 ' CD1' ' A' 1349 ' ' LEU . 28.7 tp -66.15 -39.34 89.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.126 176.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -56.54 -44.53 80.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.975 0.417 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.18 -39.61 93.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.069 177.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1245 ' ' ALA . . . . . 0.587 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -66.43 -36.91 83.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.115 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.17 -52.66 64.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.24 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.27 74.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.203 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.18 -49.24 41.29 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.1 tp -69.86 -29.31 66.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.568 0.223 . . . . 0.0 111.0 -176.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -56.71 -46.1 81.45 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.949 0.404 . . . . 0.0 110.307 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' 1255 ' ' GLU . 24.1 tt0 -75.48 -31.71 60.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.371 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.68 87.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.83 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.62 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.152 0.501 . . . . 0.0 110.184 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 92.9 m -65.83 -33.91 76.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.079 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' 1251 ' ' GLN . 35.9 mm-40 -58.81 -40.03 82.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.014 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.783 ' HB3' HD21 ' A' 1335 ' ' LEU . 17.2 mt -64.25 -37.02 86.0 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.603 176.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 48.5 t -64.5 -48.5 84.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.985 0.421 . . . . 0.0 110.403 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -64.71 -33.99 77.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.598 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.38 89.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.919 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1260 ' ' SER . . . . . 0.673 ' HB3' ' HG3' ' A' 1332 ' ' LYS . 41.4 m -65.59 -23.58 66.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.326 0.584 . . . . 0.0 110.718 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -97.23 7.6 46.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.459 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -122.9 -97.98 1.37 Allowed Glycine 0 N--CA 1.437 -1.275 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.613 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1263 ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' 1264 ' ' PRO . 16.8 p -133.42 158.38 75.78 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.648 0.261 . . . . 0.0 111.081 -174.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1264 ' ' PRO . . . . . 0.435 ' HA ' HD12 ' A' 1267 ' ' LEU . 10.8 Cg_endo -57.1 -28.66 79.96 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.064 2.509 . . . . 0.0 112.163 174.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -78.04 -28.52 49.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.205 -175.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.75 -42.42 95.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.512 HD11 HD22 ' A' 1322 ' ' LEU . 66.6 mt -58.82 -36.25 74.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.308 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -63.79 -55.28 24.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.712 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -60.05 -41.52 92.5 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.853 0.359 . . . . 0.0 110.449 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.4 83.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.096 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1271 ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 2.5 m -58.53 -48.31 81.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.359 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.68 -40.0 98.11 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.859 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -65.7 -53.55 39.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.723 0.297 . . . . 0.0 110.58 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -58.19 -45.58 87.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.196 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.79 -42.19 98.61 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.483 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -69.72 -44.25 70.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.075 0.464 . . . . 0.0 110.851 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 6.8 t70 -70.52 -33.63 71.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.655 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.566 ' CE2' HG13 ' A' 1216 ' ' VAL . 86.7 t80 -57.74 -36.16 71.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.044 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 18.0 m -60.08 -43.95 95.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.402 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 7.0 m -62.87 -35.23 79.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.829 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1281 ' ' PHE . . . . . 0.587 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 76.0 t80 -76.12 -55.01 5.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.332 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' 1286 ' ' VAL . 33.4 tp -60.7 -46.43 90.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.439 -172.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1283 ' ' GLU . . . . . 0.489 ' HG2' HD11 ' A' 1223 ' ' LEU . 44.9 mt-10 -58.85 -42.68 89.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.257 -0.177 . . . . 0.0 111.044 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.15 89.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.94 0.4 . . . . 0.0 111.036 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1285 ' ' GLY . . . . . 0.421 ' HA2' HD22 ' A' 1242 ' ' LEU . . . -63.11 -46.44 93.29 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.453 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.72 HG21 ' HB3' ' A' 1223 ' ' LEU . 42.5 t -68.58 -35.97 72.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.792 0.33 . . . . 0.0 110.701 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1287 ' ' GLU . . . . . 0.89 ' HA ' HD22 ' A' 1228 ' ' LEU . 37.9 tt0 -58.96 -52.98 63.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.788 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' 1288 ' ' MET . 19.8 ptm -67.62 -26.64 66.34 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.721 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.84 93.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.989 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1290 ' ' GLY . . . . . 0.798 ' HA3' HD11 ' A' 1228 ' ' LEU . . . -72.11 -20.63 79.14 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.026 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' 1287 ' ' GLU . 14.8 mm100 -83.76 -6.27 59.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.78 0.324 . . . . 0.0 110.813 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1292 ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -64.0 121.87 73.98 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.274 178.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1293 ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 25.6 Cg_exo -64.05 -58.76 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 123.009 2.472 . . . . 0.0 113.065 -176.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1294 ' ' SER . . . . . 0.477 ' HB2' ' OD1' ' A' 1297 ' ' ASP . 21.0 m -78.0 148.81 34.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.519 -174.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -62.34 -52.61 62.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.722 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -63.61 -38.79 92.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1297 ' ' ASP . . . . . 0.477 ' OD1' ' HB2' ' A' 1294 ' ' SER . 4.9 m-20 -61.22 -45.04 96.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.095 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' 1302 ' ' VAL . 42.1 ttt180 -63.25 -45.98 89.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.674 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -67.01 -35.09 79.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.764 0.316 . . . . 0.0 111.266 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -65.82 -45.37 82.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.581 ' O ' ' HG ' ' A' 1305 ' ' LEU . 7.5 p -68.93 -33.12 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.111 -178.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.576 ' HA ' HD12 ' A' 1305 ' ' LEU . 85.4 t -69.58 -33.79 58.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.2 p -64.93 -39.25 93.22 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.266 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1304 ' ' ASN . . . . . 0.802 ' HB2' HD23 ' A' 1349 ' ' LEU . 41.4 m-80 -62.39 -37.11 84.5 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.298 0.571 . . . . 0.0 109.904 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' 1301 ' ' VAL . 90.5 mt -61.03 -38.53 86.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.434 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -47.12 80.09 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -50.89 -48.07 46.02 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.715 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -37.93 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.249 -178.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 56.2 p -69.88 -37.55 76.07 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 122.139 -0.35 . . . . 0.0 111.224 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1310 ' ' MET . . . . . . . . . . . . . 89.0 mmm -70.68 -42.56 70.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.657 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1311 ' ' SER . . . . . 0.631 ' HA ' ' HG2' ' A' 1314 ' ' LYS . 50.0 m -66.3 -35.4 80.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.121 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 5.7 p -69.95 -36.12 75.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.252 0.549 . . . . 0.0 110.039 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.406 ' O ' ' HG ' ' A' 1317 ' ' LEU . 70.6 m -61.0 -51.71 68.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.545 174.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.631 ' HG2' ' HA ' ' A' 1311 ' ' SER . 16.2 ptpt -72.07 -25.79 61.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.925 -176.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.574 HD22 ' HA ' ' A' 1339 ' ' ALA . 18.9 tp -63.05 -49.54 74.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 173.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.583 ' O ' ' HE2' ' A' 1320 ' ' LYS . 69.9 mt -61.88 -34.81 76.69 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.833 -177.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' 1313 ' ' SER . 92.9 mt -54.37 -42.29 70.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 110.67 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.77 88.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.593 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1319 ' ' ALA . . . . . 0.454 ' HA ' HD12 ' A' 1335 ' ' LEU . . . -60.83 -41.19 95.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.602 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1320 ' ' LYS . . . . . 0.583 ' HE2' ' O ' ' A' 1316 ' ' LEU . 43.4 mmtt -59.69 -52.43 65.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.32 93.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.56 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.963 ' HG ' ' HB3' ' A' 1331 ' ' LEU . 0.7 OUTLIER -72.21 -32.93 67.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.943 -176.22 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 60.9 p -70.2 -28.9 65.66 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.915 -0.491 . . . . 0.0 110.609 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 12.4 p -83.87 -34.65 24.54 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.869 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -132.49 94.92 21.38 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.931 0.395 . . . . 0.0 110.301 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1326 ' ' PRO . . . . . 0.597 ' HA ' HD23 ' A' 1322 ' ' LEU . 69.6 Cg_endo -91.67 18.13 1.23 Allowed 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 122.627 2.218 . . . . 0.0 112.047 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -101.11 -18.19 16.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.94 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.1 m -80.54 114.37 47.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.87 -31.49 47.52 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.581 2.187 . . . . 0.0 111.47 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 39.4 t30 -62.14 -34.73 76.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.109 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1331 ' ' LEU . . . . . 0.963 ' HB3' ' HG ' ' A' 1322 ' ' LEU . 6.9 mp -68.09 -41.05 82.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.673 ' HG3' ' HB3' ' A' 1260 ' ' SER . 2.3 mptm? -61.05 -48.74 80.38 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.697 0.284 . . . . 0.0 110.46 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 18.6 t -63.36 -38.62 91.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.169 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -59.92 -53.83 53.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.723 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1335 ' ' LEU . . . . . 0.783 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.6 tt -60.14 -48.47 81.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.536 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -57.53 -37.97 73.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.75 0.309 . . . . 0.0 111.624 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.17 -48.5 67.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.753 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.97 -35.48 78.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.092 -179.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1339 ' ' ALA . . . . . 0.574 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.84 -44.62 96.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.927 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1340 ' ' ARG . . . . . 0.85 ' HE ' ' HA ' ' A' 1340 ' ' ARG . 1.3 mmp_? -67.82 -32.51 73.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.299 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.4 99.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.33 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' 1338 ' ' ALA . 95.7 t -61.31 -51.65 70.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.2 176.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 33.9 m -56.76 -45.52 82.0 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.32 -41.7 98.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.823 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 21.1 m -65.85 -38.57 89.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.561 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.489 ' O ' HG12 ' A' 1350 ' ' ILE . 87.6 mt -59.24 -52.02 65.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.903 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -55.33 -50.07 70.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -59.55 -41.31 89.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.988 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.802 HD23 ' HB2' ' A' 1304 ' ' ASN . 2.7 tm? -63.86 -47.39 80.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' 1346 ' ' ILE . 39.8 mm -65.75 -42.57 92.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.877 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 41.3 m -61.01 -41.29 96.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 18.3 tpt -70.57 -32.23 69.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.432 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 69.4 m -83.87 -42.5 16.31 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 50.1 p -88.45 -19.35 26.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1355 ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' 1356 ' ' GLN . 49.5 tp60 -124.09 140.2 53.2 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.484 -176.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1356 ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' 1355 ' ' GLN . 78.8 mt-30 72.62 2.84 4.5 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.954 0.784 . . . . 0.0 110.886 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.852 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 175.394 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.108 -0.397 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1201 ' ' ILE . . . . . 0.696 HD13 ' H ' ' A' 1201 ' ' ILE . 0.2 OUTLIER -109.22 155.1 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.291 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1202 ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' 1206 ' ' GLN . 19.6 t70 -111.67 110.82 54.78 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -52.29 -36.73 69.18 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.487 2.791 . . . . 0.0 113.613 -174.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 88.3 t80 -78.44 -44.56 24.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.522 0.201 . . . . 0.0 110.847 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1205 ' ' THR . . . . . 0.536 HG23 ' HB2' ' A' 1268 ' ' ALA . 78.9 m -59.43 -48.15 82.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.041 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' 1202 ' ' ASP . 13.5 pt20 -68.89 -29.86 68.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.92 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.06 -32.95 72.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -36.53 84.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.244 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.621 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 2.0 t -79.54 -35.77 17.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.992 0.425 . . . . 0.0 109.87 -177.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.73 -37.61 82.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.269 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 62.5 t30 -64.53 -39.92 94.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.07 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.19 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.5 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1213 ' ' LEU . . . . . 0.63 HD21 ' HB2' ' A' 1316 ' ' LEU . 46.7 mt -63.64 -35.37 80.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.073 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1214 ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' 1214 ' ' ARG . 23.2 ttp85 -62.87 -39.1 93.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.049 177.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -69.91 -42.96 72.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.513 HG13 ' CE2' ' A' 1278 ' ' PHE . 96.5 t -64.23 -47.41 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.139 0.495 . . . . 0.0 110.323 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.56 -34.0 88.74 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.975 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.01 -47.43 83.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1219 ' ' ALA . . . . . 0.659 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -64.61 -37.41 87.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 40.9 t -61.56 -47.8 83.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.028 0.442 . . . . 0.0 110.224 175.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 24.1 tptm -65.59 -35.98 82.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.27 0.557 . . . . 0.0 110.91 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -76.3 -41.15 49.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.691 -174.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.871 ' HB3' HG21 ' A' 1286 ' ' VAL . 58.4 mt -107.15 -40.3 5.47 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -168.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.69 29.28 0.8 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.174 0.512 . . . . 0.0 110.994 -174.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 9.9 p -88.57 9.05 25.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.61 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 31.9 t70 74.57 -35.93 0.31 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.808 0.843 . . . . 0.0 111.337 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.89 100.31 1.54 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 173.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1228 ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' 1229 ' ' PRO . 3.5 pp -86.76 149.15 47.65 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.456 -175.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' 1228 ' ' LEU . 11.1 Cg_exo -72.75 158.79 49.82 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.125 2.55 . . . . 0.0 111.501 174.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.2 110.93 0.67 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.616 2.211 . . . . 0.0 111.446 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1231 ' ' SER . . . . . 0.555 ' HB2' ' HA3' ' A' 1290 ' ' GLY . 26.0 t -66.26 107.53 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.999 -175.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 10.1 t -103.11 -13.37 16.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.991 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1233 ' ' GLY . . . . . 0.408 ' HA2' ' CG ' ' A' 1237 ' ' GLU . . . -95.26 98.44 2.26 Favored Glycine 0 N--CA 1.441 -1.001 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.424 176.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.9 -169.19 1.22 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1235 ' ' PHE . . . . . 0.654 ' HA ' ' OE1' ' A' 1291 ' ' GLN . 28.8 m-85 -62.73 -15.63 53.89 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -167.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -110.89 -37.98 5.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.021 0.439 . . . . 0.0 110.262 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1237 ' ' GLU . . . . . 0.408 ' CG ' ' HA2' ' A' 1233 ' ' GLY . 20.0 tp10 -60.59 -48.39 82.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.013 178.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -75.64 -30.02 59.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.454 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1239 ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' 1235 ' ' PHE . 5.0 tp-100 -58.68 -55.84 29.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.187 177.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 19.4 m -61.18 -38.07 85.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.476 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -65.96 -44.7 84.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.356 -175.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.17 -45.59 92.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.664 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -60.18 -47.61 85.23 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.705 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -43.9 97.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.731 0.301 . . . . 0.0 111.228 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1245 ' ' ALA . . . . . 0.553 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -69.52 -36.29 76.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.136 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -58.35 -51.82 68.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.292 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.42 -32.89 72.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.023 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -67.76 -47.97 58.18 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.124 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1249 ' ' LEU . . . . . 0.476 HD12 ' HB3' ' A' 1252 ' ' ALA . 31.2 tp -69.65 -27.18 64.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.613 0.244 . . . . 0.0 110.854 -178.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -57.28 -43.87 83.49 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.856 0.36 . . . . 0.0 110.428 175.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.602 ' O ' ' HB ' ' A' 1254 ' ' THR . 44.4 tp60 -74.18 -35.43 63.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.601 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1252 ' ' ALA . . . . . 0.476 ' HB3' HD12 ' A' 1249 ' ' LEU . . . -61.16 -41.21 96.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.698 0.285 . . . . 0.0 110.921 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.66 -37.62 85.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.387 0.613 . . . . 0.0 109.787 173.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1254 ' ' THR . . . . . 0.602 ' HB ' ' O ' ' A' 1251 ' ' GLN . 25.6 m -56.8 -39.83 74.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.303 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' 1251 ' ' GLN . 18.1 mm-40 -58.29 -41.12 83.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.123 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.537 ' HB3' HD21 ' A' 1335 ' ' LEU . 22.9 mt -64.22 -40.37 95.91 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.564 0.221 . . . . 0.0 110.596 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 44.8 t -60.57 -45.21 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.938 0.399 . . . . 0.0 110.425 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1258 ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' 1254 ' ' THR . 25.6 mm-40 -65.45 -42.81 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.206 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -62.28 -32.66 73.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.364 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1260 ' ' SER . . . . . . . . . . . . . 48.9 m -61.67 -28.62 69.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.183 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -102.28 13.86 33.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.272 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.47 -94.05 1.3 Allowed Glycine 0 N--CA 1.441 -1.019 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.936 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 14.3 p -136.85 156.15 76.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.455 0.169 . . . . 0.0 110.738 -174.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1264 ' ' PRO . . . . . 0.594 ' HA ' HD12 ' A' 1267 ' ' LEU . 24.2 Cg_exo -65.03 -26.87 58.03 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.581 2.187 . . . . 0.0 111.553 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -73.71 -38.19 64.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.56 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.37 -36.13 82.08 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' 1264 ' ' PRO . 55.1 mt -57.19 -50.71 71.99 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.818 173.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1268 ' ' ALA . . . . . 0.536 ' HB2' HG23 ' A' 1205 ' ' THR . . . -59.25 -45.11 92.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.122 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -63.82 -40.94 97.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.293 0.568 . . . . 0.0 110.2 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -65.41 -27.41 68.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.121 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1271 ' ' SER . . . . . 0.496 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 19.8 m -62.21 -46.52 88.52 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.823 0.344 . . . . 0.0 110.618 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1272 ' ' GLY . . . . . 0.522 ' O ' ' HG2' ' A' 1276 ' ' GLN . . . -69.0 -43.76 71.1 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.159 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -61.72 -32.75 73.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.303 -0.448 . . . . 0.0 111.347 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1274 ' ' PHE . . . . . 0.436 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 92.2 t80 -76.22 -48.71 19.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.653 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.05 -41.11 99.67 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.184 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1276 ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' 1272 ' ' GLY . 12.6 pt20 -64.25 -45.14 89.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.059 0.456 . . . . 0.0 111.229 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.96 -38.18 85.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.376 -177.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' 1309 ' ' SER . 62.1 t80 -54.32 -42.18 69.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.342 178.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 7.6 t -60.15 -42.83 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 24.2 m -57.69 -40.95 80.63 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.842 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1281 ' ' PHE . . . . . 0.553 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 85.7 t80 -71.13 -51.54 24.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.268 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.659 HD23 ' HB1' ' A' 1219 ' ' ALA . 31.5 tp -62.2 -43.93 97.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.364 -174.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.31 -31.28 71.12 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.825 0.345 . . . . 0.0 111.051 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -72.43 -38.16 68.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1285 ' ' GLY . . . . . 0.469 ' O ' ' HG2' ' A' 1288 ' ' MET . . . -68.19 -32.99 77.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.137 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' 1223 ' ' LEU . 56.8 t -72.16 -26.28 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.121 0.486 . . . . 0.0 110.346 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -62.13 -43.53 98.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.817 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.751 ' O ' ' HG2' ' A' 1291 ' ' GLN . 17.2 ptm -76.72 -23.68 53.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.726 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1289 ' ' ALA . . . . . 0.458 ' HA ' HG11 ' A' 1301 ' ' VAL . . . -62.3 -24.89 67.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.233 0.54 . . . . 0.0 109.988 172.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1290 ' ' GLY . . . . . 0.555 ' HA3' ' HB2' ' A' 1231 ' ' SER . . . -76.63 -40.96 25.65 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.683 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.751 ' HG2' ' O ' ' A' 1288 ' ' MET . 25.2 pt20 -63.15 -24.4 67.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.702 0.251 . . . . 0.0 110.894 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -54.15 113.31 4.88 Favored Pre-proline 0 C--O 1.232 0.163 0 O-C-N 123.822 0.701 . . . . 0.0 111.434 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -77.03 -25.62 8.62 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.561 2.174 . . . . 0.0 112.148 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 13.9 m -114.79 145.87 41.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.79 -28.57 69.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.438 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -58.44 -45.58 88.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.29 -39.0 60.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 110.098 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.494 ' O ' HG23 ' A' 1302 ' ' VAL . 72.7 ttt180 -58.78 -51.53 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.728 178.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.24 -43.92 92.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.522 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -57.58 -53.32 59.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.441 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.614 ' O ' ' HG ' ' A' 1305 ' ' LEU . 14.5 p -64.84 -35.81 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.011 -176.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' 1298 ' ' ARG . 73.2 t -63.79 -42.26 95.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 120.429 0.157 . . . . 0.0 111.207 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.0 p -70.46 -28.0 64.66 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1304 ' ' ASN . . . . . 0.53 ' HB3' ' HG ' ' A' 1349 ' ' LEU . 14.3 m120 -66.85 -46.5 74.83 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.413 0.625 . . . . 0.0 109.358 172.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' 1301 ' ' VAL . 87.3 mt -60.48 -42.95 97.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.453 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.388 173.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.73 -53.37 44.43 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.24 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1308 ' ' ILE . . . . . 0.519 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -72.05 -36.91 58.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.229 -177.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1309 ' ' SER . . . . . 0.515 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 37.2 p -65.02 -45.63 84.71 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.754 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1310 ' ' MET . . . . . 0.472 ' O ' ' HD3' ' A' 1314 ' ' LYS . 49.5 mtt -67.72 -39.27 84.32 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.886 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 66.6 m -58.84 -41.29 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.378 . . . . 0.0 110.455 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 43.9 m -65.94 -38.87 89.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.467 0.651 . . . . 0.0 109.919 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.525 ' O ' ' HG ' ' A' 1317 ' ' LEU . 58.6 m -62.16 -51.59 67.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.683 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.604 ' HA ' HD12 ' A' 1317 ' ' LEU . 0.2 OUTLIER -61.46 -33.68 74.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.769 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 34.9 tp -61.83 -51.34 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.71 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.63 ' HB2' HD21 ' A' 1213 ' ' LEU . 99.4 mt -65.72 -30.1 70.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.067 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' 1314 ' ' LYS . 94.6 mt -59.1 -42.67 91.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.78 0.324 . . . . 0.0 110.342 175.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -68.71 -35.37 77.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.237 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.12 92.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.156 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1320 ' ' LYS . . . . . 0.621 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 46.6 mtmt -58.26 -50.78 72.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.263 0.554 . . . . 0.0 110.169 176.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.5 98.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.823 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.691 HD11 ' HD2' ' A' 1332 ' ' LYS . 28.0 tp -71.24 -31.39 67.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.728 -175.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 37.7 m -74.98 -19.97 59.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.979 0.419 . . . . 0.0 110.781 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 22.7 p -108.04 -4.12 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.139 0.495 . . . . 0.0 111.049 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -151.91 78.22 6.75 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.566 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -92.93 5.57 3.17 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.041 2.494 . . . . 0.0 114.198 -171.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -101.33 13.9 33.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 0.0 111.215 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 42.8 m -108.5 105.16 56.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.615 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.43 -37.84 96.16 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.307 2.671 . . . . 0.0 113.015 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -76.64 -17.63 59.05 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.292 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 16.8 tp -73.02 -31.36 64.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.691 ' HD2' HD11 ' A' 1322 ' ' LEU . 1.9 mptp? -63.18 -47.82 80.99 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 170.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 15.1 m -61.62 -41.64 97.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.289 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -62.56 -44.98 94.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.615 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1335 ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.3 tt -61.62 -45.76 92.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1336 ' ' ALA . . . . . 0.663 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -58.54 -41.3 85.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.772 178.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.33 91.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.867 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.63 -36.04 82.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.598 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.55 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1340 ' ' ARG . . . . . 0.663 ' HG2' ' O ' ' A' 1336 ' ' ALA . 28.3 mmt180 -68.43 -33.96 75.13 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.73 79.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.867 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' 1338 ' ' ALA . 95.0 t -62.88 -52.62 57.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 176.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 74.1 m -62.05 -38.44 88.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.675 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1344 ' ' ASP . . . . . 0.602 ' O ' ' HG2' ' A' 1348 ' ' GLN . 14.4 t70 -57.13 -50.62 72.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.809 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 17.5 m -64.56 -35.69 81.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.47 ' O ' HG12 ' A' 1350 ' ' ILE . 85.5 mt -59.89 -48.37 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.24 -40.94 97.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.062 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1348 ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' 1344 ' ' ASP . 75.5 mm-40 -55.42 -35.96 65.95 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.612 178.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.53 ' HG ' ' HB3' ' A' 1304 ' ' ASN . 5.7 mt -69.82 -57.48 5.03 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.106 176.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.522 ' O ' HG22 ' A' 1354 ' ' THR . 48.8 mm -55.2 -43.03 68.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.467 -175.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 85.9 m -56.25 -39.18 72.18 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.556 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 25.3 mmt -81.02 -39.28 26.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.063 0.458 . . . . 0.0 110.908 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 60.0 m -75.51 -54.61 6.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.485 -172.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1354 ' ' THR . . . . . 0.522 HG22 ' O ' ' A' 1350 ' ' ILE . 5.1 t -88.47 159.09 18.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.975 0.417 . . . . 0.0 110.664 -174.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -74.42 105.92 5.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.327 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -102.05 -30.72 11.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.016 0.436 . . . . 0.0 110.041 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.307 -179.549 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 64.9 mt -94.34 -49.55 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.264 0.554 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -129.27 123.37 21.54 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.94 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -82.58 176.16 8.13 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.769 2.313 . . . . 0.0 112.253 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -76.99 77.95 3.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.545 0.688 . . . . 0.0 110.102 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1205 ' ' THR . . . . . 0.878 ' HA ' ' HB2' ' A' 1268 ' ' ALA . 60.2 m -149.01 -60.58 0.23 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.605 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.468 ' O ' HG22 ' A' 1209 ' ' VAL . 3.3 pt20 -80.92 -27.07 36.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.118 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -69.51 -41.89 75.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.323 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -63.88 -36.06 82.7 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.542 HG23 ' HD2' ' A' 1320 ' ' LYS . 29.7 m -72.4 -28.88 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.405 0.622 . . . . 0.0 110.009 -175.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.21 -38.99 21.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.695 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 52.0 t30 -64.83 -34.66 78.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.648 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.75 78.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.74 -33.64 76.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 110.778 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1214 ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' 1214 ' ' ARG . 14.3 ttp180 -64.88 -37.38 87.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.096 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.0 78.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.501 ' HA ' ' CE2' ' A' 1278 ' ' PHE . 95.9 t -63.84 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -68.48 -48.33 51.72 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.715 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -56.59 -52.06 66.26 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 122.348 0.259 . . . . 0.0 110.919 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1219 ' ' ALA . . . . . 0.499 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -56.82 -48.38 78.13 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.995 -177.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 25.0 t -60.36 -51.62 68.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.836 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -72.73 -38.26 67.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -174.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -73.11 -33.81 65.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.775 0.321 . . . . 0.0 111.123 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.866 HD23 ' HG2' ' A' 1229 ' ' PRO . 90.7 mt -89.62 -62.83 1.39 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.636 -176.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1224 ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' 1224 ' ' LEU . 1.2 pp -114.5 104.27 11.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.323 0.582 . . . . 0.0 111.511 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 44.1 t -173.55 -65.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.647 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -130.65 -72.56 0.56 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.013 0.435 . . . . 0.0 110.752 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 6.7 tt -96.01 118.58 32.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.284 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1228 ' ' LEU . . . . . 0.452 ' HA ' ' HD3' ' A' 1229 ' ' PRO . 4.2 pp -82.27 131.22 56.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 121.054 0.454 . . . . 0.0 110.906 -178.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.866 ' HG2' HD23 ' A' 1223 ' ' LEU . 18.5 Cg_exo -69.3 174.25 9.39 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 123.149 2.566 . . . . 0.0 110.979 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -46.95 110.28 0.28 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.78 2.32 . . . . 0.0 112.261 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1231 ' ' SER . . . . . 0.417 ' O ' ' HA3' ' A' 1290 ' ' GLY . 12.7 m -114.63 45.83 1.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.99 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 4.6 m -85.97 -0.36 55.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.935 -174.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -58.38 119.18 16.07 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.54 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 21.1 p -86.63 -178.83 6.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.892 0.377 . . . . 0.0 111.48 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1235 ' ' PHE . . . . . 0.539 ' HA ' ' NE2' ' A' 1291 ' ' GLN . 38.4 p90 -61.09 -24.26 66.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.883 -176.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1236 ' ' GLN . . . . . 0.448 ' HG2' ' CE2' ' A' 1235 ' ' PHE . 86.5 mm-40 -96.11 -34.76 11.58 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.732 175.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -66.2 -54.42 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.215 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -75.24 -40.67 58.79 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -174.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.62 -50.31 65.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.36 -177.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 20.2 m -66.27 -40.33 90.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.639 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -66.14 -38.47 88.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.875 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1242 ' ' LEU . . . . . 0.536 HD22 ' HB1' ' A' 1284 ' ' ALA . 1.9 mm? -54.77 -39.81 68.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.162 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 9.3 m120 -70.36 -46.35 64.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -175.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -47.48 81.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.069 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -65.48 -36.88 85.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.85 90.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.094 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.5 97.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.324 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.63 -38.54 96.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.214 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1249 ' ' LEU . . . . . 0.462 HD21 HD11 ' A' 1308 ' ' ILE . 29.9 tp -77.33 -32.96 55.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.681 0.277 . . . . 0.0 110.585 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -57.7 -51.98 67.33 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.454 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' A' 1255 ' ' GLU . 21.6 tt0 -66.56 -32.91 74.55 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.635 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1252 ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -58.75 -41.56 86.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.946 0.403 . . . . 0.0 110.719 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.41 90.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.207 0.527 . . . . 0.0 110.063 175.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 78.1 m -59.19 -44.26 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.034 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' 1251 ' ' GLN . 43.3 mt-10 -65.02 -35.29 80.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.654 ' HB3' HD21 ' A' 1335 ' ' LEU . 13.7 mt -59.88 -43.13 94.91 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.687 0.279 . . . . 0.0 110.349 173.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 74.2 t -61.77 -43.62 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.724 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1258 ' ' GLN . . . . . 0.451 ' HA ' ' OE1' ' A' 1258 ' ' GLN . 12.8 mm-40 -66.05 -45.97 79.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.604 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.13 74.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.109 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1260 ' ' SER . . . . . . . . . . . . . 70.9 m -52.93 -38.97 62.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.966 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -107.32 25.21 11.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.653 0.263 . . . . 0.0 111.315 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.44 -83.36 0.61 Allowed Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 55.7 p -139.83 144.86 40.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1264 ' ' PRO . . . . . 0.559 ' HA ' HD23 ' A' 1267 ' ' LEU . 49.8 Cg_exo -57.45 -30.4 87.97 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.622 2.215 . . . . 0.0 111.841 175.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -69.2 -31.24 69.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.019 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.76 -33.83 74.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.471 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' 1264 ' ' PRO . 3.7 mm? -53.0 -39.6 63.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.454 174.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1268 ' ' ALA . . . . . 0.878 ' HB2' ' HA ' ' A' 1205 ' ' THR . . . -64.37 -45.98 85.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.967 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -57.99 -44.12 86.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.429 0.633 . . . . 0.0 109.503 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -67.82 -39.33 83.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.836 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1271 ' ' SER . . . . . 0.412 ' OG ' HG12 ' A' 1209 ' ' VAL . 49.8 m -62.19 -43.32 99.09 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.555 -177.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.57 -44.98 96.35 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.155 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -65.69 -49.54 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.703 0.287 . . . . 0.0 111.136 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1274 ' ' PHE . . . . . 0.626 ' CZ ' HD23 ' A' 1315 ' ' LEU . 39.7 t80 -58.05 -40.65 81.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.258 -175.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -73.57 -34.23 57.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.446 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -73.51 -51.92 15.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.632 0.253 . . . . 0.0 111.206 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -63.76 -26.79 68.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.871 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.642 ' CE1' ' HA ' ' A' 1309 ' ' SER . 84.4 t80 -58.09 -50.15 74.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.358 175.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 10.7 m -56.35 -46.9 79.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 11.2 m -57.4 -46.17 83.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.005 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 91.0 t80 -66.88 -46.26 75.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.499 HD23 ' HB1' ' A' 1219 ' ' ALA . 23.0 tp -66.35 -38.53 87.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -176.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1283 ' ' GLU . . . . . 0.445 ' HG2' HD21 ' A' 1223 ' ' LEU . 48.4 mt-10 -62.95 -38.65 91.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.813 0.34 . . . . 0.0 110.688 176.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1284 ' ' ALA . . . . . 0.536 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -66.77 -33.9 76.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.103 176.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.38 -39.92 97.92 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.686 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.772 HG21 ' HB3' ' A' 1223 ' ' LEU . 47.1 t -67.32 -39.15 82.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.05 0.453 . . . . 0.0 110.019 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.34 -47.59 81.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.945 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.67 ' O ' ' HG2' ' A' 1291 ' ' GLN . 5.0 ptm -73.87 -24.97 59.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.183 0.516 . . . . 0.0 110.508 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1289 ' ' ALA . . . . . 0.734 ' HB1' ' HG3' ' A' 1298 ' ' ARG . . . -70.65 -8.15 49.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.401 0.62 . . . . 0.0 109.899 173.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1290 ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' 1231 ' ' SER . . . -88.89 -35.89 8.05 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.103 174.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' 1288 ' ' MET . 20.8 pt20 -70.66 -20.91 62.66 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1292 ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -59.42 117.21 20.31 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.273 176.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1293 ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.0 Cg_exo -72.88 -16.8 25.91 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.984 2.456 . . . . 0.0 112.449 -175.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 19.2 m -121.59 142.66 49.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.25 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -66.7 -40.18 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.998 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.9 -40.24 94.78 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.43 -41.25 89.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.835 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.734 ' HG3' ' HB1' ' A' 1289 ' ' ALA . 12.7 ttp180 -64.71 -37.88 89.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.622 176.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -62.17 -37.8 86.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.977 0.417 . . . . 0.0 110.366 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -59.79 -51.78 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.249 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.593 ' O ' ' HG ' ' A' 1305 ' ' LEU . 6.9 p -67.54 -35.46 73.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.195 -177.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' 1298 ' ' ARG . 53.0 t -61.76 -39.83 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.721 0.296 . . . . 0.0 110.877 177.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 43.9 t -63.03 -41.15 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.777 0.322 . . . . 0.0 110.353 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1304 ' ' ASN . . . . . 0.523 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 34.7 m-20 -62.03 -39.8 93.54 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.334 0.588 . . . . 0.0 109.647 177.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.3 mt -64.57 -38.87 92.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.627 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -61.42 -38.41 87.03 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.59 -52.32 51.06 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.047 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1308 ' ' ILE . . . . . 0.462 HD11 HD21 ' A' 1249 ' ' LEU . 0.0 OUTLIER -71.62 -35.34 55.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.859 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1309 ' ' SER . . . . . 0.642 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 66.3 m -60.9 -49.87 75.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.929 0.395 . . . . 0.0 110.827 177.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1310 ' ' MET . . . . . 0.406 ' O ' ' HG3' ' A' 1314 ' ' LYS . 9.3 mmt -62.22 -46.28 89.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.866 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1311 ' ' SER . . . . . 0.413 ' C ' HG22 ' A' 1342 ' ' VAL . 42.0 m -59.49 -41.26 89.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.636 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 39.0 t -63.32 -49.34 74.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.398 0.618 . . . . 0.0 110.014 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.412 ' O ' ' HG ' ' A' 1317 ' ' LEU . 42.2 t -52.09 -52.61 50.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.212 177.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' 1317 ' ' LEU . 62.5 mttm -73.52 -24.78 60.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.562 -174.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.626 HD23 ' CZ ' ' A' 1274 ' ' PHE . 38.0 tp -66.28 -42.96 87.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.138 0.494 . . . . 0.0 109.668 173.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1316 ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.08 -33.8 76.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.729 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' 1314 ' ' LYS . 90.6 mt -59.36 -30.64 68.54 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.718 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.95 -40.99 75.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.214 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.99 76.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1320 ' ' LYS . . . . . 0.542 ' HD2' HG23 ' A' 1209 ' ' VAL . 19.0 mmmt -51.12 -56.34 13.22 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.547 175.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -73.12 -32.35 64.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.035 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' 1332 ' ' LYS . 30.4 tp -68.01 -24.19 65.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.196 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 16.5 t -74.82 -41.06 60.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 5.5 m -69.84 -46.05 66.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.211 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -119.56 91.31 44.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -92.43 6.84 3.18 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.824 2.349 . . . . 0.0 113.077 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -107.0 7.91 30.12 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 5.0 p -105.92 108.15 61.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.768 0.318 . . . . 0.0 111.169 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -56.98 -35.62 98.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.887 2.391 . . . . 0.0 112.448 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 10.2 t30 -67.93 -29.39 68.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.847 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1331 ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' 1331 ' ' LEU . 14.5 tp -70.84 -34.75 71.99 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.587 ' HD2' HD11 ' A' 1322 ' ' LEU . 3.1 mptp? -64.04 -46.15 85.69 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.349 0.595 . . . . 0.0 109.495 172.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 23.1 t -63.32 -39.06 93.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.807 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.23 -37.86 88.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.671 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1335 ' ' LEU . . . . . 0.654 HD21 ' HB3' ' A' 1256 ' ' LEU . 10.2 tt -67.56 -47.15 70.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1336 ' ' ALA . . . . . 0.618 ' O ' ' HD3' ' A' 1340 ' ' ARG . . . -56.98 -40.13 75.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.993 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -63.74 -43.49 96.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.72 -33.53 75.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.857 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1339 ' ' ALA . . . . . 0.532 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.96 -36.92 82.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1340 ' ' ARG . . . . . 0.618 ' HD3' ' O ' ' A' 1336 ' ' ALA . 6.4 mpt_? -65.74 -36.83 84.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.234 176.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.02 91.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.764 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' 1346 ' ' ILE . 48.4 t -64.23 -52.21 58.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.334 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.7 m -60.84 -33.77 73.55 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.773 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -58.11 -58.2 9.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.339 176.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1345 ' ' SER . . . . . 0.443 ' CB ' ' HB ' ' A' 1308 ' ' ILE . 51.1 m -60.34 -35.29 75.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.396 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.546 ' O ' HG12 ' A' 1350 ' ' ILE . 93.2 mt -62.31 -55.45 23.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 3.1 p30 -75.71 -29.19 58.88 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.292 -172.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -71.75 -35.08 70.0 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.65 178.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.97 -47.13 87.09 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' 1346 ' ' ILE . 35.1 mm -64.39 -36.97 78.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.953 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 92.8 m -62.58 -42.13 99.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 111.064 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 86.6 mtp -72.28 -49.9 31.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.057 0.456 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 70.1 m -75.46 -46.18 34.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.366 -173.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 4.4 m -87.74 24.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.596 0.712 . . . . 0.0 110.915 -176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -76.79 -13.55 60.01 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -59.46 119.25 7.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.716 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.688 178.651 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 7.3 tp -136.14 -32.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.909 0.355 . . . . 0.0 110.831 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -115.12 113.64 43.74 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.32 -32.83 94.9 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.032 2.488 . . . . 0.0 112.581 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 65.99 -177.07 0.19 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.624 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1205 ' ' THR . . . . . . . . . . . . . 2.8 m 64.82 27.34 12.95 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.338 0.59 . . . . 0.0 111.032 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.521 ' O ' HG22 ' A' 1209 ' ' VAL . 10.0 pt20 -174.5 -44.5 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.805 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -69.79 -18.13 63.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.485 0.66 . . . . 0.0 109.839 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.23 -46.44 54.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.653 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' 1206 ' ' GLN . 29.2 m -63.9 -30.05 48.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 121.062 0.458 . . . . 0.0 110.818 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.81 -41.67 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.158 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.36 -36.8 81.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.228 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1212 ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' 1216 ' ' VAL . . . -59.25 -49.32 78.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.27 176.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1213 ' ' LEU . . . . . 0.495 HD21 ' HB2' ' A' 1316 ' ' LEU . 33.2 mt -64.16 -38.85 92.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.755 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -57.85 -45.91 85.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.232 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.76 79.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' 1212 ' ' ALA . 96.6 t -58.92 -42.66 86.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.795 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.29 -46.79 92.13 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.42 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -64.45 -43.49 94.12 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.667 0.27 . . . . 0.0 110.63 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1219 ' ' ALA . . . . . 0.661 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -62.18 -50.96 69.73 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.608 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1220 ' ' SER . . . . . 0.401 ' O ' HD23 ' A' 1224 ' ' LEU . 41.6 m -62.29 -40.92 97.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.837 0.351 . . . . 0.0 111.178 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 83.8 tttt -67.72 -45.22 75.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.056 0.455 . . . . 0.0 110.846 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 37.8 ttp-105 -78.29 -50.36 11.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.742 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.516 ' O ' HG21 ' A' 1286 ' ' VAL . 97.2 mt -81.25 -10.78 59.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -168.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1224 ' ' LEU . . . . . 0.463 HD22 ' HA ' ' A' 1224 ' ' LEU . 0.5 OUTLIER -56.87 -26.74 59.29 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.209 0.528 . . . . 0.0 109.863 170.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 50.0 m 70.22 98.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.288 171.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 27.4 t70 -73.63 -25.0 60.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.499 170.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 87.7 mt -109.5 -167.13 1.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.377 -1.283 . . . . 0.0 109.691 176.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 95.4 mt -99.15 126.42 38.11 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.638 0.256 . . . . 0.0 110.631 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.5 ' HA ' ' HD3' ' A' 1230 ' ' PRO . 31.7 Cg_exo -61.49 126.08 18.34 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.75 2.3 . . . . 0.0 111.59 176.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1230 ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 25.8 Cg_exo -63.06 155.14 62.77 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.127 2.551 . . . . 0.0 112.607 -176.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1231 ' ' SER . . . . . 0.579 ' HA ' HE22 ' A' 1291 ' ' GLN . 20.0 m -77.27 84.47 3.72 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.788 178.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 20.6 m -71.04 -22.56 62.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.785 0.802 . . . . 0.0 109.381 173.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -172.03 174.44 45.34 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.59 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 28.0 p -68.32 166.99 15.4 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.803 0.302 . . . . 0.0 110.257 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 42.6 p90 -62.26 -29.81 70.67 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.494 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -70.41 -42.17 72.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.422 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.18 -42.72 99.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.965 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.53 71.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.008 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.1 -46.34 87.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 32.5 p -65.65 -36.73 84.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.003 0.43 . . . . 0.0 110.337 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 17.2 ttp-105 -69.11 -40.91 78.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.419 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1242 ' ' LEU . . . . . 0.549 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 37.0 tp -61.63 -44.17 97.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.156 174.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -57.98 -43.54 86.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.236 177.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.58 -48.04 79.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.29 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1245 ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -63.89 -36.48 84.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.03 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -62.02 -49.14 77.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.23 -38.69 80.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.436 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.39 -47.88 74.62 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.21 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1249 ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' 1252 ' ' ALA . 33.6 tp -69.48 -32.66 71.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.654 0.264 . . . . 0.0 110.823 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1250 ' ' ASN . . . . . 0.409 ' OD1' HG23 ' A' 1343 ' ' THR . 64.3 m-20 -57.69 -44.73 86.02 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.054 0.454 . . . . 0.0 109.986 173.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' A' 1255 ' ' GLU . 24.4 tt0 -69.62 -37.21 76.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.24 177.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1252 ' ' ALA . . . . . 0.847 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -58.32 -44.46 88.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.946 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1253 ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' 1257 ' ' VAL . . . -64.69 -39.19 93.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.946 175.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1254 ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' 1251 ' ' GLN . 98.9 m -58.56 -46.82 86.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.805 176.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' 1251 ' ' GLN . 10.3 mm-40 -55.28 -47.77 75.03 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.384 176.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.555 ' HA ' ' HB1' ' A' 1270 ' ' ALA . 19.0 tp -62.14 -44.56 96.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.571 -178.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1257 ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' 1253 ' ' ALA . 98.9 t -57.24 -51.92 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 120.671 0.272 . . . . 0.0 111.007 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.81 -44.4 96.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.958 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -66.7 -36.5 82.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.86 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1260 ' ' SER . . . . . . . . . . . . . 48.7 m -68.29 -19.4 64.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.065 0.46 . . . . 0.0 111.536 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -101.7 11.74 38.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.086 0.469 . . . . 0.0 109.908 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.14 -93.53 1.11 Allowed Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.111 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 15.5 p -133.21 155.16 81.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.539 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -57.13 -33.45 95.86 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.232 2.622 . . . . 0.0 112.077 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -70.88 -42.8 69.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.049 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -70.81 -36.96 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 63.5 tp -55.47 -42.42 74.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.759 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.04 75.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -58.82 -41.31 86.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 109.851 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1270 ' ' ALA . . . . . 0.555 ' HB1' ' HA ' ' A' 1256 ' ' LEU . . . -63.73 -35.59 81.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.445 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 22.2 m -61.88 -47.7 83.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.408 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -66.42 -37.58 92.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.638 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1273 ' ' ARG . . . . . 0.459 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 12.4 tpp180 -55.51 -57.84 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 110.732 174.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1274 ' ' PHE . . . . . 0.847 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 71.9 t80 -60.92 -45.92 92.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.525 -174.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.57 -34.29 89.07 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.516 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -70.24 -50.59 38.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.736 0.303 . . . . 0.0 110.603 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.25 -32.28 73.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.17 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.628 ' HE1' ' HA ' ' A' 1309 ' ' SER . 81.7 t80 -59.97 -46.12 90.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.802 176.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1279 ' ' SER . . . . . 0.524 ' O ' ' HG3' ' A' 1283 ' ' GLU . 22.8 t -58.05 -49.67 76.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.21 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 23.3 m -59.42 -42.41 91.76 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.029 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1281 ' ' PHE . . . . . 0.551 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 76.9 t80 -62.2 -48.76 78.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.855 178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.661 HD23 ' HB1' ' A' 1219 ' ' ALA . 24.2 tp -64.29 -38.94 92.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.987 -176.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1283 ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' 1279 ' ' SER . 44.1 mt-10 -60.53 -41.2 93.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.7 0.286 . . . . 0.0 110.898 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -75.91 -38.63 57.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.957 0.408 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.11 -46.84 93.17 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.556 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.516 HG21 ' O ' ' A' 1223 ' ' LEU . 7.6 p -74.1 -24.04 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 122.575 -0.368 . . . . 0.0 110.62 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1287 ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' 1291 ' ' GLN . 38.6 tt0 -58.41 -49.78 76.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.137 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1288 ' ' MET . . . . . . . . . . . . . 22.2 ptm -72.76 -26.86 61.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 110.414 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1289 ' ' ALA . . . . . 0.453 ' HA ' HG11 ' A' 1301 ' ' VAL . . . -65.11 -29.01 69.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -82.36 -10.27 83.81 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.318 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.579 HE22 ' HA ' ' A' 1231 ' ' SER . 46.9 mm-40 -93.22 -7.57 44.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 110.23 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -67.39 119.3 64.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.317 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -69.01 -31.9 22.83 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.916 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1294 ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' A' 1297 ' ' ASP . 22.8 m -101.19 134.48 44.16 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.307 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -60.54 -39.53 88.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.113 0.482 . . . . 0.0 110.067 178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.96 -29.92 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.323 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1297 ' ' ASP . . . . . 0.48 ' HB2' ' HB2' ' A' 1294 ' ' SER . 11.8 t70 -74.7 -36.99 62.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.657 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' 1302 ' ' VAL . 50.2 ttt180 -64.75 -41.54 95.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.043 176.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -55.65 -35.7 66.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.033 0.444 . . . . 0.0 110.779 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1300 ' ' GLN . . . . . 0.446 ' HB3' ' O ' ' A' 1297 ' ' ASP . 27.4 tt0 -59.96 -50.62 73.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.83 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.453 HG11 ' HA ' ' A' 1289 ' ' ALA . 7.7 p -76.52 -30.44 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.998 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.513 ' HA ' HD12 ' A' 1305 ' ' LEU . 61.5 t -63.99 -35.19 72.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 120.758 0.313 . . . . 0.0 110.244 175.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 69.8 m -60.53 -41.88 95.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.946 0.403 . . . . 0.0 110.352 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1304 ' ' ASN . . . . . 0.686 ' HB3' ' HG ' ' A' 1349 ' ' LEU . 7.5 m120 -63.93 -45.39 89.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.613 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.541 HD23 HD11 ' A' 1349 ' ' LEU . 93.2 mt -58.47 -51.38 70.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.025 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -58.57 -45.73 88.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.738 0.304 . . . . 0.0 110.711 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -55.07 -50.8 57.7 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.588 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1308 ' ' ILE . . . . . 0.462 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -74.28 -39.59 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.893 -178.249 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1309 ' ' SER . . . . . 0.628 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 49.0 m -62.01 -50.16 73.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.63 0.252 . . . . 0.0 111.181 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1310 ' ' MET . . . . . . . . . . . . . 54.2 mtt -64.64 -40.03 94.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.885 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1311 ' ' SER . . . . . 0.548 ' HA ' ' HD2' ' A' 1314 ' ' LYS . 51.4 m -63.46 -35.03 79.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.623 0.249 . . . . 0.0 110.839 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 62.2 m -65.5 -40.53 93.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.526 0.679 . . . . 0.0 110.135 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.573 ' O ' ' HG ' ' A' 1317 ' ' LEU . 45.5 t -59.99 -52.78 63.9 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.229 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.548 ' HD2' ' HA ' ' A' 1311 ' ' SER . 51.1 mttm -57.42 -39.86 77.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.109 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' 1339 ' ' ALA . 34.8 tp -59.45 -48.09 82.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.009 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.495 ' HB2' HD21 ' A' 1213 ' ' LEU . 96.2 mt -70.28 -26.73 63.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.484 -177.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' 1313 ' ' SER . 94.0 mt -59.51 -41.72 90.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.978 0.418 . . . . 0.0 109.912 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.03 -38.57 75.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.687 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.98 99.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -58.4 -47.98 82.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.348 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.36 68.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.0 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' 1325 ' ' ASP . 28.8 tp -76.63 -26.28 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.306 -177.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 98.4 p -74.21 -23.85 59.25 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.382 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 11.2 t -95.14 -26.29 16.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1325 ' ' ASP . . . . . 0.447 ' O ' HD12 ' A' 1322 ' ' LEU . 12.0 t70 -134.02 90.69 25.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.304 175.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -91.01 19.69 1.08 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.755 2.303 . . . . 0.0 112.287 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -104.16 -45.39 4.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.738 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1328 ' ' SER . . . . . 0.412 ' HA ' ' HD2' ' A' 1329 ' ' PRO . 42.4 m -59.16 113.41 6.83 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.985 -174.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1329 ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' 1328 ' ' SER . 30.7 Cg_endo -64.66 -32.18 58.09 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.68 2.254 . . . . 0.0 111.746 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 46.8 t30 -60.51 -38.71 85.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.159 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 17.3 tp -68.27 -37.27 80.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.29 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.44 ' HD2' HD11 ' A' 1322 ' ' LEU . 5.0 mptp? -61.23 -50.04 74.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.963 0.411 . . . . 0.0 110.28 173.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 13.2 t -63.7 -39.2 93.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.832 -177.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -61.62 -47.78 83.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.83 0.348 . . . . 0.0 110.494 177.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.19 -47.71 84.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.937 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.39 -39.68 80.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.79 -42.84 80.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.023 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' 1342 ' ' VAL . . . -66.63 -39.09 88.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.764 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1339 ' ' ALA . . . . . 0.562 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.35 -42.18 98.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.671 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -62.44 -38.9 91.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.082 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.96 91.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.562 ' O ' HG13 ' A' 1346 ' ' ILE . 91.8 t -62.78 -52.43 59.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.076 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1343 ' ' THR . . . . . 0.475 ' HA ' HD12 ' A' 1346 ' ' ILE . 79.3 m -60.17 -38.56 83.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.58 -42.96 89.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.805 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 18.5 m -73.92 -34.58 64.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.897 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' 1342 ' ' VAL . 95.3 mt -59.36 -54.86 28.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.817 0.342 . . . . 0.0 110.821 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 8.9 p30 -70.68 -28.37 64.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.278 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.64 -44.13 96.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.086 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.686 ' HG ' ' HB3' ' A' 1304 ' ' ASN . 2.3 tt -62.04 -48.33 80.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.549 ' CD1' ' HG ' ' A' 1242 ' ' LEU . 43.2 mm -61.37 -55.39 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.077 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 33.3 m -61.86 -38.54 88.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.917 -175.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 27.4 ttt -74.05 -33.82 63.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.772 0.32 . . . . 0.0 111.178 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1353 ' ' CYS . . . . . 0.488 ' SG ' HD23 ' A' 1349 ' ' LEU . 93.2 m -84.42 -27.14 27.79 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 10.7 t -77.8 -12.27 59.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.522 0.677 . . . . 0.0 109.83 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -79.51 102.39 8.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.528 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -86.54 -4.48 59.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.254 0.55 . . . . 0.0 110.009 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.448 -0.787 . . . . 0.0 110.085 174.795 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 112.039 -0.424 . . . . 0.0 112.039 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 8.2 tp -61.49 -29.82 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 120.811 0.339 . . . . 0.0 111.167 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -113.1 146.61 35.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.429 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.34 121.29 8.24 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.288 1.992 . . . . 0.0 110.953 173.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -97.94 83.43 3.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.033 0.444 . . . . 0.0 110.626 -176.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1205 ' ' THR . . . . . 0.535 ' HA ' ' HB2' ' A' 1268 ' ' ALA . 31.3 m -110.26 -51.97 2.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.562 175.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.541 ' O ' HG22 ' A' 1209 ' ' VAL . 89.7 mt-30 -70.86 -28.64 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.521 177.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -56.29 -53.03 62.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.454 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.2 -24.06 64.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -173.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' 1206 ' ' GLN . 10.6 m -81.33 -29.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 119.806 -0.757 . . . . 0.0 109.493 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 20.3 t70 -82.64 -41.53 19.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.584 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -63.65 -38.17 90.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.827 178.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1212 ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' 1216 ' ' VAL . . . -60.18 -45.63 92.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.191 176.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1213 ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' 1316 ' ' LEU . 61.7 mt -61.95 -38.29 87.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.738 177.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1214 ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' 1214 ' ' ARG . 0.0 OUTLIER -59.79 -48.14 82.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.997 177.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.57 77.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.194 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.476 HG13 ' CE2' ' A' 1278 ' ' PHE . 89.9 t -63.15 -54.38 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.45 -43.83 96.14 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.975 -0.557 . . . . 0.0 113.033 -174.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.01 -46.58 77.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.715 0.293 . . . . 0.0 111.392 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.44 91.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.537 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1220 ' ' SER . . . . . 0.595 ' HA ' HD21 ' A' 1282 ' ' LEU . 30.3 t -57.05 -38.17 72.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.059 -178.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 61.7 mttp -78.84 -52.02 8.91 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1222 ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' 1222 ' ' ARG . 48.9 mtm105 -77.11 -31.95 56.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.487 ' HB3' HG21 ' A' 1286 ' ' VAL . 60.2 mt -71.06 -55.48 8.15 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.389 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1224 ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' 1224 ' ' LEU . 1.0 OUTLIER -94.5 63.99 3.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 122.095 0.95 . . . . 0.0 110.957 -177.134 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 28.7 t -167.53 -52.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.869 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -90.28 59.32 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.714 -178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1227 ' ' LEU . . . . . 0.51 ' HG ' ' N ' ' A' 1228 ' ' LEU . 45.5 tp 67.52 168.89 0.26 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 123.79 0.681 . . . . 0.0 111.344 177.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1228 ' ' LEU . . . . . 0.51 ' N ' ' HG ' ' A' 1227 ' ' LEU . 3.3 pp -70.84 159.57 84.96 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.071 175.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' 1228 ' ' LEU . 53.4 Cg_endo -69.95 130.89 19.88 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.201 1.934 . . . . 0.0 112.259 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1230 ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 25.3 Cg_exo -63.06 107.52 0.65 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.59 2.194 . . . . 0.0 110.557 176.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 34.8 t -153.01 145.88 24.47 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.774 -171.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 18.9 m -80.93 84.91 6.31 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.986 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 168.8 -90.49 0.1 OUTLIER Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.95 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1234 ' ' THR . . . . . 0.415 ' O ' ' HB3' ' A' 1291 ' ' GLN . 67.9 p 52.28 20.75 1.45 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.678 0.791 . . . . 0.0 112.608 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1235 ' ' PHE . . . . . 0.734 ' HD1' ' HB2' ' A' 1291 ' ' GLN . 90.8 t80 -174.29 134.31 0.42 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 175.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1236 ' ' GLN . . . . . 0.423 ' HB3' ' O ' ' A' 1235 ' ' PHE . 46.2 tt0 69.04 -47.15 0.57 Allowed 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.842 0.714 . . . . 0.0 110.924 -174.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.1 -41.55 83.73 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.49 0.662 . . . . 0.0 109.824 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1238 ' ' ALA . . . . . 0.41 ' HB2' ' CG ' ' A' 1287 ' ' GLU . . . -74.54 -24.78 59.01 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.51 -172.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1239 ' ' GLN . . . . . 0.563 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 42.4 tt0 -71.94 -58.66 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.362 -171.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.3 m -65.26 -31.11 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.186 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -67.68 -43.96 78.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.816 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1242 ' ' LEU . . . . . 0.544 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 61.2 tp -68.21 -41.64 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.695 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -57.69 -36.69 72.29 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.195 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.3 -52.13 37.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.462 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.91 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.46 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1246 ' ' ALA . . . . . 0.643 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -56.78 -53.16 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.271 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -64.73 -37.91 89.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.852 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.31 -47.71 77.04 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.409 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 29.2 tp -70.92 -36.19 72.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.64 0.257 . . . . 0.0 110.837 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1250 ' ' ASN . . . . . 0.463 ' OD1' ' HA ' ' A' 1343 ' ' THR . 20.2 m-20 -60.81 -41.75 96.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 110.368 175.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.489 ' O ' ' HB ' ' A' 1254 ' ' THR . 24.8 tm0? -67.89 -37.69 82.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.89 177.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.26 99.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.834 0.349 . . . . 0.0 110.83 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.78 94.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.325 0.583 . . . . 0.0 109.918 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1254 ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' 1251 ' ' GLN . 94.7 m -58.52 -38.81 78.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.753 176.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' 1251 ' ' GLN . 38.3 mt-10 -63.71 -38.8 92.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.014 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.41 -33.33 75.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.579 0.228 . . . . 0.0 110.56 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 43.6 t -68.39 -42.93 84.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.071 0.462 . . . . 0.0 110.142 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1258 ' ' GLN . . . . . 0.573 ' HA ' ' CZ ' ' A' 1261 ' ' ARG . 27.3 mt-30 -66.73 -33.6 75.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.75 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -78.89 -27.6 43.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.004 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1260 ' ' SER . . . . . 0.543 ' OG ' ' HA ' ' A' 1332 ' ' LYS . 35.1 t -52.97 -55.04 26.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.826 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1261 ' ' ARG . . . . . 0.573 ' CZ ' ' HA ' ' A' 1258 ' ' GLN . 1.7 ppt_? -95.62 32.75 1.75 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.549 0.69 . . . . 0.0 110.35 176.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -119.73 -98.87 1.77 Allowed Glycine 0 N--CA 1.436 -1.341 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 80.5 p -147.89 154.89 44.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.932 0.366 . . . . 0.0 110.994 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1264 ' ' PRO . . . . . 0.697 ' HA ' HD12 ' A' 1267 ' ' LEU . 45.0 Cg_exo -58.68 -32.39 96.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.737 2.291 . . . . 0.0 111.23 173.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -61.71 -38.64 88.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.399 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.13 -32.8 38.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.194 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' 1264 ' ' PRO . 57.9 mt -55.53 -42.55 74.72 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 174.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1268 ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' A' 1205 ' ' THR . . . -59.62 -51.6 69.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.133 0.492 . . . . 0.0 110.421 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -54.35 -47.84 72.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.457 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.74 98.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.091 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 44.4 m -56.32 -43.6 79.16 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.963 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -61.0 -47.47 91.12 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.721 -175.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -71.92 -38.97 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.546 -0.385 . . . . 0.0 110.985 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1274 ' ' PHE . . . . . 0.5 ' HD2' HD21 ' A' 1316 ' ' LEU . 67.6 t80 -60.67 -48.05 83.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.783 0.325 . . . . 0.0 110.5 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -68.3 -40.43 87.35 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.686 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -68.32 -46.62 69.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.624 0.25 . . . . 0.0 111.311 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.19 -30.0 67.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.447 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.476 ' CE2' HG13 ' A' 1216 ' ' VAL . 70.4 t80 -57.32 -38.12 73.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.622 176.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1279 ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' 1283 ' ' GLU . 8.1 t -58.93 -44.7 91.41 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 25.4 m -66.12 -41.54 90.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1281 ' ' PHE . . . . . 0.447 ' HE2' HG21 ' A' 1308 ' ' ILE . 77.8 t80 -60.45 -49.55 77.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.246 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.595 HD21 ' HA ' ' A' 1220 ' ' SER . 34.1 tp -64.09 -38.44 91.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.372 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1283 ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' 1279 ' ' SER . 43.0 mt-10 -56.24 -45.27 80.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.707 0.289 . . . . 0.0 110.772 177.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.03 77.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.123 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1285 ' ' GLY . . . . . 0.535 ' HA3' HD21 ' A' 1305 ' ' LEU . . . -67.33 -43.06 89.35 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.216 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.487 HG21 ' HB3' ' A' 1223 ' ' LEU . 21.5 t -71.37 -31.53 43.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.099 0.476 . . . . 0.0 110.093 178.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1287 ' ' GLU . . . . . 0.41 ' CG ' ' HB2' ' A' 1238 ' ' ALA . 7.7 tp10 -58.86 -47.96 83.05 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.466 175.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' 1285 ' ' GLY . 13.7 ptm -70.94 -23.78 62.3 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.416 -176.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -60.4 -19.25 55.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.946 0.403 . . . . 0.0 110.498 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -76.05 -32.51 52.59 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.484 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.734 ' HB2' ' HD1' ' A' 1235 ' ' PHE . 18.1 pt20 -85.56 7.01 24.67 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.132 0.491 . . . . 0.0 110.786 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -100.2 105.31 35.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.472 171.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.1 -35.43 2.4 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.723 2.282 . . . . 0.0 113.25 -176.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1294 ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' 1297 ' ' ASP . 15.2 m -74.91 140.0 43.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.609 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -40.79 81.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.551 -174.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -80.11 -32.14 39.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.067 0.46 . . . . 0.0 110.236 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1297 ' ' ASP . . . . . 0.644 ' HB3' ' HB2' ' A' 1294 ' ' SER . 32.6 t70 -64.08 -40.92 97.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.568 173.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' 1302 ' ' VAL . 38.9 ttm180 -67.38 -40.05 85.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.856 175.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.29 76.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.07 -46.78 85.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.037 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.493 ' O ' ' HG ' ' A' 1305 ' ' LEU . 4.7 p -69.52 -34.75 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.829 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.572 ' HA ' HD12 ' A' 1305 ' ' LEU . 98.3 t -66.43 -32.74 59.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.982 0.42 . . . . 0.0 110.65 176.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 46.4 m -64.89 -40.13 94.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.408 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1304 ' ' ASN . . . . . 0.572 ' HB3' ' HG ' ' A' 1349 ' ' LEU . 10.6 m120 -60.18 -43.07 96.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.666 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' 1302 ' ' VAL . 94.4 mt -56.53 -51.93 66.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.871 -1.058 . . . . 0.0 111.024 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -59.51 -48.35 82.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.663 0.268 . . . . 0.0 110.34 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -50.65 -49.11 41.46 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.906 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1308 ' ' ILE . . . . . 0.447 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -78.22 -34.26 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 122.667 -0.313 . . . . 0.0 110.886 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 63.3 m -62.46 -48.18 80.78 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.959 0.409 . . . . 0.0 110.922 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1310 ' ' MET . . . . . 0.535 ' O ' ' HG3' ' A' 1314 ' ' LYS . 0.2 OUTLIER -65.34 -42.89 92.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.692 178.715 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.9 m -62.64 -38.61 90.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.796 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 42.1 t -60.99 -44.08 97.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.7 0.762 . . . . 0.0 109.217 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.603 ' O ' ' HG ' ' A' 1317 ' ' LEU . 52.3 m -60.36 -49.67 76.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.685 175.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' 1310 ' ' MET . 65.1 mttm -58.78 -39.99 82.68 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.186 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.588 HD22 ' HA ' ' A' 1339 ' ' ALA . 42.0 tp -62.49 -47.74 82.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.5 HD21 ' HD2' ' A' 1274 ' ' PHE . 80.9 mt -65.9 -30.07 70.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.921 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' 1313 ' ' SER . 91.7 mt -65.37 -39.52 92.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.34 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.09 -39.31 86.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.225 175.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.09 95.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.944 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -56.21 -52.45 64.37 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.998 0.428 . . . . 0.0 110.477 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.29 82.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.765 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.4 HD11 ' HE2' ' A' 1332 ' ' LYS . 34.4 tp -72.7 -26.52 61.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.044 0.449 . . . . 0.0 110.817 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 51.1 m -76.81 -25.92 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.956 0.408 . . . . 0.0 110.629 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 13.9 p -90.73 -30.58 16.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.087 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -131.68 74.72 77.46 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.26 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1326 ' ' PRO . . . . . 0.533 ' HB3' ' HG3' ' A' 1264 ' ' PRO . 69.2 Cg_endo -78.75 -5.9 14.95 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.579 2.186 . . . . 0.0 113.254 -174.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -97.08 10.55 39.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.839 0.352 . . . . 0.0 110.941 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 17.9 t -98.53 104.85 26.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1329 ' ' PRO . . . . . 0.563 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 27.2 Cg_exo -63.25 -27.73 72.39 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.101 2.534 . . . . 0.0 112.847 -175.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 44.3 t30 -60.94 -38.04 84.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1331 ' ' LEU . . . . . 0.491 ' HA ' ' HB3' ' A' 1334 ' ' GLN . 10.9 mp -66.67 -26.13 66.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.604 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.563 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 1.3 mptm? -63.32 -50.46 69.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.701 0.286 . . . . 0.0 110.641 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 3.8 p -74.27 -31.55 62.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.084 0.468 . . . . 0.0 110.595 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1334 ' ' GLN . . . . . 0.491 ' HB3' ' HA ' ' A' 1331 ' ' LEU . 26.8 tt0 -60.42 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.263 176.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1335 ' ' LEU . . . . . 0.485 HD22 ' HB2' ' A' 1260 ' ' SER . 9.8 tt -64.16 -43.48 95.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.029 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.48 78.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.121 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.92 85.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.861 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.94 -36.94 84.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.597 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1339 ' ' ALA . . . . . 0.588 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.84 -43.36 98.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.755 177.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -63.43 -34.21 77.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.666 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.89 92.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.366 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' 1338 ' ' ALA . 50.0 t -66.02 -51.63 58.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.887 175.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1343 ' ' THR . . . . . 0.463 ' HA ' ' OD1' ' A' 1250 ' ' ASN . 88.1 m -53.93 -49.64 68.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.379 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.71 -44.64 90.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.313 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 19.5 m -66.03 -36.54 83.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.406 ' CG1' HG13 ' A' 1308 ' ' ILE . 76.8 mt -62.69 -48.49 87.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.116 0.484 . . . . 0.0 109.888 174.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -55.89 -48.9 74.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.04 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -67.32 -24.49 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.513 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.572 ' HG ' ' HB3' ' A' 1304 ' ' ASN . 0.7 OUTLIER -71.42 -40.4 70.46 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.161 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' 1246 ' ' ALA . 43.8 mm -69.12 -36.07 71.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.593 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 29.8 m -57.89 -34.79 70.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.283 0.563 . . . . 0.0 110.414 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.9 tpt -78.62 -27.81 45.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.454 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1353 ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 26.0 t -79.63 -51.32 9.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.142 -176.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 21.2 p -91.89 90.07 7.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.267 0.556 . . . . 0.0 110.736 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -85.61 58.05 4.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.075 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -169.76 107.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.591 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.47 -179.475 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 112.021 -0.432 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 23.3 pt -109.53 23.98 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.137 0.494 . . . . 0.0 110.218 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1202 ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' 1203 ' ' PRO . 6.8 m-20 -54.08 119.35 19.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.003 -0.998 . . . . 0.0 111.192 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1203 ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' 1202 ' ' ASP . 2.9 Cg_exo -76.22 97.85 1.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.986 2.457 . . . . 0.0 111.471 175.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1204 ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' 1208 ' ' ASP . 44.6 p90 -80.41 -8.15 59.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.95 0.405 . . . . 0.0 110.798 -178.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1205 ' ' THR . . . . . 0.49 ' O ' ' HG2' ' A' 1206 ' ' GLN . 1.0 OUTLIER -61.35 110.91 1.56 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 177.658 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.514 ' O ' HG22 ' A' 1209 ' ' VAL . 4.0 pt20 72.06 -29.62 0.2 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.66 1.184 . . . . 0.0 111.83 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -72.24 -20.36 61.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.743 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1208 ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' 1204 ' ' PHE . 4.6 t0 -61.86 -22.32 65.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.538 ' HA ' ' HB3' ' A' 1271 ' ' SER . 11.6 m -68.13 -32.2 54.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.113 0.482 . . . . 0.0 110.187 176.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -82.65 -36.48 25.98 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.274 0.559 . . . . 0.0 109.901 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 24.1 t30 -55.97 -42.57 76.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.959 173.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1212 ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' 1216 ' ' VAL . . . -59.95 -46.28 89.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.128 176.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1213 ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' 1209 ' ' VAL . 83.3 mt -60.7 -36.57 79.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -65.05 -41.85 94.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.913 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.77 96.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.945 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.529 HG13 ' CE2' ' A' 1278 ' ' PHE . 50.9 t -61.12 -35.11 63.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.176 0.512 . . . . 0.0 110.106 176.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -69.91 -39.75 74.88 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.141 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1218 ' ' ASP . . . . . 0.579 ' HA ' ' CE ' ' A' 1221 ' ' LYS . 44.2 m-20 -65.0 -45.19 86.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.672 0.272 . . . . 0.0 110.925 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1219 ' ' ALA . . . . . 0.635 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -61.63 -43.28 99.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1220 ' ' SER . . . . . 0.496 ' HA ' HD23 ' A' 1224 ' ' LEU . 3.7 p -65.04 -39.88 93.98 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.148 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1221 ' ' LYS . . . . . 0.579 ' CE ' ' HA ' ' A' 1218 ' ' ASP . 52.9 mtmt -62.82 -49.81 73.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.777 0.323 . . . . 0.0 111.729 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 36.0 mtm-85 -78.84 -8.64 58.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.736 ' HB3' HG11 ' A' 1286 ' ' VAL . 70.3 mt -126.91 -53.92 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1224 ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' 1220 ' ' SER . 4.0 mm? -67.78 115.6 7.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.132 0.491 . . . . 0.0 111.543 -173.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 29.2 m 71.43 5.14 5.32 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.318 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 32.2 t70 -79.65 120.21 23.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 84.9 mt -70.72 104.69 2.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.986 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 2.7 pp -77.35 156.68 81.21 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.126 -175.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1229 ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.12 152.63 81.65 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.771 2.314 . . . . 0.0 111.439 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -67.78 80.03 0.49 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.704 2.269 . . . . 0.0 112.101 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 14.5 m -104.56 154.25 20.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.873 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 6.3 t -106.26 92.34 4.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.135 0.969 . . . . 0.0 110.942 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -90.19 118.68 5.35 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.958 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1234 ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' 1237 ' ' GLU . 0.2 OUTLIER -63.22 149.72 44.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.679 0.276 . . . . 0.0 110.633 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 83.6 t80 -54.34 -61.57 2.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.861 -175.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1236 ' ' GLN . . . . . 0.525 ' HA ' ' HB3' ' A' 1239 ' ' GLN . 36.1 tt0 -71.13 -21.66 62.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.677 -176.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1237 ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' A' 1234 ' ' THR . 14.7 tp10 -59.15 -52.79 64.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.212 175.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -74.53 -34.35 62.99 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.208 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1239 ' ' GLN . . . . . 0.525 ' HB3' ' HA ' ' A' 1236 ' ' GLN . 60.1 tt0 -59.28 -53.72 55.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.968 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 19.3 m -66.92 -38.88 87.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1241 ' ' ARG . . . . . 0.4 ' HE ' ' HB2' ' A' 1241 ' ' ARG . 14.9 ttm180 -60.2 -44.86 94.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.256 179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1242 ' ' LEU . . . . . 0.434 HD22 ' SD ' ' A' 1288 ' ' MET . 30.7 tp -58.96 -48.59 80.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.66 175.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -60.65 -42.06 96.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.689 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.98 -39.6 95.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -73.16 -39.87 65.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -60.51 -50.36 73.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.956 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.66 -38.46 75.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.33 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.49 -33.74 63.86 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.081 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 30.0 tp -74.99 -31.4 61.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -57.43 -50.33 73.35 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.089 0.471 . . . . 0.0 110.978 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' 1255 ' ' GLU . 0.0 OUTLIER -70.94 -32.5 69.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.169 -178.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -59.21 -46.51 88.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1253 ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' 1257 ' ' VAL . . . -64.81 -39.87 94.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.2 0.524 . . . . 0.0 110.025 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 98.7 m -59.02 -34.81 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.395 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' 1251 ' ' GLN . 34.4 mt-10 -67.46 -41.12 85.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.857 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' 1256 ' ' LEU . 39.4 mt -60.66 -38.76 85.97 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.846 0.355 . . . . 0.0 110.201 175.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1257 ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' 1253 ' ' ALA . 65.6 t -61.31 -50.31 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.261 179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -74.07 -38.39 63.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.246 -174.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -68.59 -26.9 65.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.891 0.377 . . . . 0.0 111.191 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1260 ' ' SER . . . . . 0.404 ' HB3' ' HD2' ' A' 1261 ' ' ARG . 39.2 t -52.68 -34.55 52.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.473 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1261 ' ' ARG . . . . . 0.514 HH22 ' HB2' ' A' 1336 ' ' ALA . 5.5 mpt_? -108.08 16.92 22.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -147.21 -111.86 0.68 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.775 -1.202 . . . . 0.0 113.606 -176.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1263 ' ' THR . . . . . 0.456 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 0.1 OUTLIER -80.49 123.08 83.06 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-O 121.373 0.606 . . . . 0.0 112.24 -171.357 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1264 ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' 1263 ' ' THR . 19.1 Cg_exo -68.08 -34.94 21.26 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.562 2.841 . . . . 0.0 112.383 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -68.55 -31.8 71.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.41 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -45.16 75.53 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.252 174.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 39.1 tp -52.47 -50.39 62.8 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.606 0.566 . . . . 0.0 110.558 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1268 ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' 1208 ' ' ASP . . . -63.97 -51.17 65.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.108 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -61.06 -34.29 74.66 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 111.095 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.8 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.577 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1271 ' ' SER . . . . . 0.538 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 20.8 m -67.49 -51.69 48.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.634 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -64.18 -37.86 95.13 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.753 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -66.27 -47.51 73.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.86 0.362 . . . . 0.0 110.419 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1274 ' ' PHE . . . . . 0.468 ' HZ ' HG11 ' A' 1342 ' ' VAL . 89.2 t80 -59.33 -48.33 82.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.765 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.67 -38.91 97.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.666 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.65 -46.93 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.777 -0.249 . . . . 0.0 111.081 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.76 -35.27 80.03 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.696 0.284 . . . . 0.0 110.642 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.529 ' CE2' HG13 ' A' 1216 ' ' VAL . 47.9 t80 -60.13 -43.76 95.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.535 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 50.8 m -57.93 -48.12 80.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.171 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 21.4 m -61.82 -41.26 97.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.886 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1281 ' ' PHE . . . . . 0.488 ' HE2' HG21 ' A' 1308 ' ' ILE . 84.7 t80 -61.68 -47.63 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.574 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.635 HD23 ' HB1' ' A' 1219 ' ' ALA . 23.7 tp -65.64 -36.56 84.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.382 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1283 ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' A' 1287 ' ' GLU . 43.3 mt-10 -63.58 -43.45 96.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.707 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1284 ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' 1287 ' ' GLU . . . -65.03 -30.89 71.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.997 0.427 . . . . 0.0 110.381 176.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.04 -45.79 95.88 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.281 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.736 HG11 ' HB3' ' A' 1223 ' ' LEU . 13.3 m -74.62 -24.3 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 122.518 -0.401 . . . . 0.0 110.509 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1287 ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' 1283 ' ' GLU . 6.9 mm-40 -56.98 -52.5 64.98 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 173.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.497 ' HA ' ' HG3' ' A' 1291 ' ' GLN . 17.6 ptm -75.54 -26.87 58.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1289 ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' 1286 ' ' VAL . . . -64.62 -30.09 71.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.104 0.478 . . . . 0.0 110.13 176.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -80.26 -11.4 84.35 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.756 -0.656 . . . . 0.0 113.07 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.497 ' HG3' ' HA ' ' A' 1288 ' ' MET . 1.2 pp0? -104.38 6.36 35.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.38 0.59 . . . . 0.0 111.044 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1292 ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -75.83 116.59 56.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.117 178.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1293 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 34.9 Cg_exo -60.3 -41.61 48.96 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.927 2.418 . . . . 0.0 112.285 -177.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 59.1 m -107.59 138.8 43.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.412 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1295 ' ' GLN . . . . . 0.554 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 72.8 mt-30 -68.57 -17.35 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.941 -177.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.28 -46.33 87.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 173.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.81 -35.28 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.179 0.514 . . . . 0.0 109.831 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.554 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 38.4 ttt180 -63.98 -45.81 87.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.146 178.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -73.83 -29.2 62.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.773 0.321 . . . . 0.0 110.568 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.73 -50.81 69.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.787 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.664 HG23 HD21 ' A' 1349 ' ' LEU . 7.6 p -60.6 -40.11 83.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.502 ' HA ' HD12 ' A' 1305 ' ' LEU . 93.8 t -61.56 -37.85 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.876 0.37 . . . . 0.0 110.951 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 20.2 m -64.97 -39.94 94.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.044 0.449 . . . . 0.0 110.369 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1304 ' ' ASN . . . . . 0.432 ' CB ' HD23 ' A' 1349 ' ' LEU . 8.0 m120 -66.63 -37.67 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.8 176.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.3 mt -63.11 -33.95 76.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.835 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -57.75 -42.66 84.4 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 173.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.93 -45.94 78.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.425 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1308 ' ' ILE . . . . . 0.488 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -82.37 -39.06 15.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.314 -178.553 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1309 ' ' SER . . . . . 0.523 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 57.3 p -67.45 -45.1 77.0 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 122.246 -0.284 . . . . 0.0 111.31 -177.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1310 ' ' MET . . . . . 0.639 ' HG2' ' HE2' ' A' 1314 ' ' LYS . 54.3 ttm -65.74 -39.99 91.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.945 0.402 . . . . 0.0 110.194 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 37.4 m -70.55 -29.79 66.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.37 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 42.0 t -61.45 -45.16 95.47 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.492 ' O ' ' HG ' ' A' 1317 ' ' LEU . 39.4 m -60.32 -49.73 76.45 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 114.618 -1.173 . . . . 0.0 110.533 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.639 ' HE2' ' HG2' ' A' 1310 ' ' MET . 66.5 mttm -57.19 -44.09 83.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.426 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.602 HD22 ' HA ' ' A' 1339 ' ' ALA . 37.2 tp -61.4 -47.02 87.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 111.026 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.454 HD21 ' HD2' ' A' 1274 ' ' PHE . 86.4 mt -67.32 -30.13 69.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.813 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' 1313 ' ' SER . 85.8 mt -65.29 -35.1 79.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.41 . . . . 0.0 110.399 175.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.25 83.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.129 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.79 83.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 0.0 110.358 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1320 ' ' LYS . . . . . 0.471 ' HA ' HG21 ' A' 1209 ' ' VAL . 13.3 tppt? -54.51 -49.67 69.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.613 173.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.67 64.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.243 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1322 ' ' LEU . . . . . . . . . . . . . 33.8 tp -75.86 -29.76 58.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.694 0.283 . . . . 0.0 111.587 -176.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 6.3 p -74.74 -17.03 60.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.015 0.436 . . . . 0.0 110.572 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 2.3 p -101.46 -31.66 10.79 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.785 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -131.09 90.83 37.87 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.0 175.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -91.71 15.03 1.73 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.494 2.13 . . . . 0.0 112.292 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -98.63 -38.6 9.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.737 -175.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 41.6 t -68.07 116.27 37.21 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.61 -175.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.11 -27.18 29.89 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.864 2.376 . . . . 0.0 111.05 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.27 -31.51 71.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.908 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.06 -37.93 72.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.032 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1332 ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -59.09 -44.58 91.93 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.098 0.475 . . . . 0.0 109.792 172.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 35.4 t -60.55 -44.67 95.87 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.785 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -62.95 -44.64 95.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.797 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.06 -45.34 91.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.43 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1336 ' ' ALA . . . . . 0.514 ' HB2' HH22 ' A' 1261 ' ' ARG . . . -62.34 -38.7 90.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.294 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.04 -40.99 87.28 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.998 0.428 . . . . 0.0 110.715 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' 1342 ' ' VAL . . . -68.65 -42.6 77.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.662 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1339 ' ' ALA . . . . . 0.602 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.81 -41.12 97.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.094 0.474 . . . . 0.0 110.643 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -61.18 -41.88 97.59 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.109 175.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.7 97.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.823 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' 1346 ' ' ILE . 59.4 t -64.26 -52.73 52.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.724 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 18.1 m -61.66 -37.96 85.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.2 0.524 . . . . 0.0 110.641 -177.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1344 ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' 1348 ' ' GLN . 33.2 t70 -64.11 -50.54 67.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.758 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 9.0 p -66.58 -33.93 76.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.597 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' 1342 ' ' VAL . 95.9 mt -55.2 -53.72 31.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 172.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -64.8 -33.48 76.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.334 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1348 ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' 1344 ' ' ASP . 14.9 mm100 -59.56 -48.83 80.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.884 0.374 . . . . 0.0 110.658 177.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.664 HD21 HG23 ' A' 1301 ' ' VAL . 2.5 tm? -67.16 -38.67 85.87 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.458 -176.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' 1346 ' ' ILE . 44.5 mm -67.39 -43.63 87.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.556 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 85.8 m -60.76 -47.21 87.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.358 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 22.9 ptp -71.51 -27.76 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.681 0.277 . . . . 0.0 110.855 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 39.3 t -77.84 -22.95 49.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.903 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1354 ' ' THR . . . . . 0.513 HG22 ' H ' ' A' 1356 ' ' GLN . 9.2 m 71.87 145.32 0.07 Allowed 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.705 0.628 . . . . 0.0 110.42 -175.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -107.35 19.61 20.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.11 0.481 . . . . 0.0 110.948 -177.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1356 ' ' GLN . . . . . 0.513 ' H ' HG22 ' A' 1354 ' ' THR . 58.9 tt0 -123.57 -73.66 0.64 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.855 176.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.585 177.771 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 112.23 -0.348 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 45.1 mm 63.36 75.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 122.937 0.495 . . . . 0.0 110.659 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 29.3 t70 58.86 97.45 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.45 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.791 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -80.0 110.23 2.51 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.97 2.446 . . . . 0.0 111.936 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1204 ' ' PHE . . . . . 0.446 ' O ' ' HB ' ' A' 1205 ' ' THR . 47.9 p90 -68.15 159.07 31.75 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1205 ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' 1204 ' ' PHE . 88.3 m 76.08 -52.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.756 -177.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.411 ' O ' HG22 ' A' 1209 ' ' VAL . 13.0 mm100 -74.13 -42.93 59.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.965 0.412 . . . . 0.0 110.39 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.506 ' HD3' ' HB3' ' A' 1210 ' ' ASP . 6.6 tpp180 -77.11 -21.05 54.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.471 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.04 -43.64 66.79 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.557 HG21 ' HA ' ' A' 1320 ' ' LYS . 31.5 m -64.14 -36.17 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.852 0.358 . . . . 0.0 111.37 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1210 ' ' ASP . . . . . 0.506 ' HB3' ' HD3' ' A' 1207 ' ' ARG . 25.2 t70 -83.55 -27.49 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.078 0.466 . . . . 0.0 110.692 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 59.1 t30 -63.59 -35.06 79.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.984 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1212 ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' 1216 ' ' VAL . . . -60.71 -40.9 94.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.888 173.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1213 ' ' LEU . . . . . 0.79 HD21 ' HB2' ' A' 1316 ' ' LEU . 41.9 mt -67.52 -31.14 71.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.993 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1214 ' ' ARG . . . . . 0.435 ' HA ' ' HE ' ' A' 1214 ' ' ARG . 2.9 tpm_? -59.62 -41.06 89.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.17 -50.51 39.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.614 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.541 HG13 ' CE2' ' A' 1278 ' ' PHE . 87.2 t -58.84 -52.64 57.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.315 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1217 ' ' GLY . . . . . 0.443 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -62.52 -47.4 89.6 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.559 -177.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.64 -43.88 98.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.631 0.253 . . . . 0.0 110.689 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1219 ' ' ALA . . . . . 0.426 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -65.88 -42.81 89.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.967 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 48.5 m -62.1 -37.2 84.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.81 0.338 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1221 ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' 1217 ' ' GLY . 67.2 mttm -74.15 -56.98 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.991 0.424 . . . . 0.0 110.318 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -56.41 -56.31 22.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.035 -175.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.675 ' HB3' HG21 ' A' 1286 ' ' VAL . 92.3 mt -68.13 -37.83 81.54 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -173.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 79.0 mt -86.18 6.08 31.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.349 . . . . 0.0 111.457 -176.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 49.2 m -107.63 -40.37 5.33 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 172.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.99 -39.32 69.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.624 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 94.7 mt 64.04 22.17 12.84 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.461 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 41.7 mt -147.61 139.66 14.08 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.483 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' A' 1230 ' ' PRO . 68.4 Cg_endo -92.4 145.87 2.77 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 123.016 2.477 . . . . 0.0 112.83 177.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1230 ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 2.6 Cg_endo -82.86 15.53 2.05 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 123.157 2.571 . . . . 0.0 111.462 174.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1231 ' ' SER . . . . . 0.515 ' O ' ' HG3' ' A' 1287 ' ' GLU . 33.9 p -151.61 146.91 26.17 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.311 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 13.4 t -170.88 -169.05 0.73 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -166.63 -125.33 0.77 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 62.1 p -109.32 -46.96 3.47 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1235 ' ' PHE . . . . . 0.495 ' HA ' ' NE2' ' A' 1291 ' ' GLN . 32.2 t80 -175.34 -56.44 0.01 OUTLIER 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.734 174.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1236 ' ' GLN . . . . . 0.509 ' HA ' ' HB3' ' A' 1239 ' ' GLN . 29.4 tt0 -65.63 -24.99 67.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.19 -176.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -54.24 -48.1 71.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 110.623 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -78.33 -34.94 48.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.319 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1239 ' ' GLN . . . . . 0.509 ' HB3' ' HA ' ' A' 1236 ' ' GLN . 53.0 tt0 -57.32 -45.13 84.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.734 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 17.6 m -63.37 -37.46 87.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1241 ' ' ARG . . . . . 0.432 ' HG2' ' HB2' ' A' 1284 ' ' ALA . 52.8 ttt180 -67.76 -39.07 84.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.346 -178.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1242 ' ' LEU . . . . . 0.794 HD22 ' HB1' ' A' 1284 ' ' ALA . 2.4 mm? -57.39 -41.15 79.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.856 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -66.75 -39.24 87.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.567 -174.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.65 -52.21 40.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.185 0.517 . . . . 0.0 110.287 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.1 -33.32 75.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.226 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.01 -53.67 55.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.225 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.4 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.74 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -64.86 -47.01 87.69 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.4 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1249 ' ' LEU . . . . . 0.424 HD23 HD11 ' A' 1346 ' ' ILE . 22.2 tp -66.24 -36.71 83.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.602 0.239 . . . . 0.0 110.768 -177.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -62.01 -39.89 93.8 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.838 0.351 . . . . 0.0 110.702 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.504 ' O ' ' HB ' ' A' 1254 ' ' THR . 25.7 tm0? -72.44 -39.62 67.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.963 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.08 96.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.013 0.435 . . . . 0.0 110.796 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1253 ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' 1257 ' ' VAL . . . -62.44 -40.2 95.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.19 0.519 . . . . 0.0 109.916 174.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1254 ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' 1251 ' ' GLN . 80.5 m -57.54 -40.15 78.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.973 176.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' 1251 ' ' GLN . 59.8 mt-10 -61.67 -45.14 95.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.583 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 68.9 mt -59.78 -42.09 92.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.717 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1257 ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' 1253 ' ' ALA . 95.7 t -59.28 -48.97 85.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.844 0.354 . . . . 0.0 111.254 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -69.23 -43.52 73.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.926 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.1 69.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1260 ' ' SER . . . . . . . . . . . . . 38.6 t -55.09 -37.35 66.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.764 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1261 ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' 1261 ' ' ARG . 23.0 mtp180 -112.27 21.0 16.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.2 -177.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -126.7 -60.18 0.14 Allowed Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.326 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1263 ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 1.8 t -167.78 133.43 1.63 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 121.101 0.477 . . . . 0.0 111.372 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1264 ' ' PRO . . . . . 0.77 ' HA ' HD12 ' A' 1267 ' ' LEU . 39.5 Cg_exo -61.06 -23.09 76.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.379 2.719 . . . . 0.0 112.436 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -76.44 -27.92 56.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -177.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1266 ' ' ASP . . . . . 0.429 ' HB2' HG23 ' A' 1263 ' ' THR . 10.7 t70 -75.25 -35.15 61.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' 1264 ' ' PRO . 75.6 mt -53.17 -44.75 68.12 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.852 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.9 79.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.076 0.465 . . . . 0.0 111.082 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.31 -45.54 94.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.008 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.65 -28.72 70.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.67 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 35.5 m -63.6 -43.62 96.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.708 0.29 . . . . 0.0 110.932 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -74.77 -27.41 64.97 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.617 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -69.52 -53.62 18.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 175.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 65.7 t80 -61.02 -47.52 86.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.936 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -61.03 -37.75 94.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.594 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.67 -50.02 47.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.619 0.247 . . . . 0.0 110.823 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -62.18 -37.71 86.29 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.413 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.698 ' HE1' ' HA ' ' A' 1309 ' ' SER . 83.6 t80 -61.08 -44.46 97.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.484 176.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 58.8 m -56.13 -51.14 69.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.088 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 32.7 m -61.96 -39.52 92.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.185 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 58.0 t80 -64.11 -46.04 85.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.502 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.426 HD23 ' HB1' ' A' 1219 ' ' ALA . 20.7 tp -66.27 -38.01 86.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.345 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.6 -50.42 70.16 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.192 173.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1284 ' ' ALA . . . . . 0.794 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -61.82 -37.21 83.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.15 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -60.05 -48.0 88.26 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.09 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.675 HG21 ' HB3' ' A' 1223 ' ' LEU . 33.3 t -68.72 -33.93 62.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.145 0.497 . . . . 0.0 110.02 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1287 ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' 1231 ' ' SER . 35.2 tt0 -59.23 -47.15 86.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.763 178.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.55 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 20.6 ptm -75.09 -25.25 58.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -69.48 -32.56 71.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 110.774 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -73.05 -28.56 66.31 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.495 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.55 ' HG2' ' HA ' ' A' 1288 ' ' MET . 12.3 pt20 -93.37 10.08 33.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.811 0.338 . . . . 0.0 110.724 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1292 ' ' ALA . . . . . 0.478 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -62.48 126.39 88.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.568 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1293 ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 31.4 Cg_exo -59.62 -35.96 93.77 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.033 2.489 . . . . 0.0 112.419 -177.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 96.6 p -136.26 165.46 25.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.242 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1295 ' ' GLN . . . . . 0.425 HE22 HH11 ' A' 1298 ' ' ARG . 89.6 mm-40 -70.14 -20.29 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.28 -45.3 93.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.059 175.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -71.23 -40.43 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.536 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' 1302 ' ' VAL . 75.6 ttt180 -63.43 -46.53 85.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.361 -176.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.53 75.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.012 0.434 . . . . 0.0 110.819 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -69.25 -48.9 60.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.919 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.656 ' O ' ' HG ' ' A' 1305 ' ' LEU . 10.4 p -62.89 -39.14 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.139 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' 1298 ' ' ARG . 71.8 t -61.78 -43.98 98.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.674 0.273 . . . . 0.0 111.233 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 3.2 p -66.95 -32.88 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.146 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 9.1 m120 -66.34 -42.76 87.67 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.298 0.571 . . . . 0.0 109.777 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.5 mt -60.63 -32.78 71.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.338 -177.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.68 -37.1 82.87 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.627 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.56 -51.32 57.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.319 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1308 ' ' ILE . . . . . 0.442 HG13 ' CG1' ' A' 1346 ' ' ILE . 0.0 OUTLIER -74.45 -39.9 48.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 121.253 -0.179 . . . . 0.0 111.123 -178.477 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1309 ' ' SER . . . . . 0.698 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 23.9 p -65.43 -44.54 87.03 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.545 0.212 . . . . 0.0 111.313 -177.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1310 ' ' MET . . . . . 0.624 ' O ' ' HG3' ' A' 1314 ' ' LYS . 20.1 mmt -63.31 -46.77 85.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.708 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 66.3 m -62.72 -34.94 78.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.483 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 61.3 m -65.7 -37.72 87.24 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.681 0.753 . . . . 0.0 109.533 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' 1317 ' ' LEU . 47.4 m -64.75 -48.22 75.36 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.149 176.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' 1310 ' ' MET . 82.6 mttt -60.44 -38.58 84.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.574 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.645 HD22 ' HA ' ' A' 1339 ' ' ALA . 34.0 tp -61.07 -52.78 63.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.1 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.79 ' HB2' HD21 ' A' 1213 ' ' LEU . 95.9 mt -65.6 -30.15 70.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' 1314 ' ' LYS . 72.3 mt -59.53 -45.97 90.23 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 174.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.24 92.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.646 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.61 95.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 178.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1320 ' ' LYS . . . . . 0.557 ' HA ' HG21 ' A' 1209 ' ' VAL . 33.6 ttpt -64.21 -43.7 94.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.717 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.98 72.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.492 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.569 HD23 HD11 ' A' 1267 ' ' LEU . 28.1 tp -73.0 -26.31 61.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.736 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 29.5 t -63.73 -41.84 97.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.106 0.479 . . . . 0.0 109.839 175.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 3.1 m -79.79 -40.61 28.27 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.191 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1325 ' ' ASP . . . . . 0.449 ' O ' HD12 ' A' 1322 ' ' LEU . 2.7 m-20 -120.12 86.23 37.06 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -90.04 3.22 5.1 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.623 2.216 . . . . 0.0 112.949 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1327 ' ' ALA . . . . . 0.482 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -107.4 13.46 26.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.689 0.28 . . . . 0.0 111.24 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 34.2 t -99.79 103.49 22.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.382 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1329 ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' A' 1327 ' ' ALA . 26.1 Cg_exo -62.8 -34.08 73.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.772 2.315 . . . . 0.0 111.628 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.13 -36.93 85.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 178.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 19.5 tp -68.79 -32.7 72.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.544 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.555 ' CE ' HD11 ' A' 1322 ' ' LEU . 2.1 mptm? -61.44 -39.79 92.11 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.381 0.61 . . . . 0.0 110.035 173.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 23.2 t -70.65 -42.79 70.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.696 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.6 -40.66 97.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.762 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.42 -53.15 61.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.118 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.93 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 111.033 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -64.35 -49.87 69.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.056 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' 1342 ' ' VAL . . . -62.91 -38.01 89.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.644 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1339 ' ' ALA . . . . . 0.645 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -59.67 -46.24 89.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.026 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1340 ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' 1340 ' ' ARG . 33.2 mmt180 -68.66 -28.76 67.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.935 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.51 -40.02 94.86 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 174.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' 1338 ' ' ALA . 62.6 t -61.57 -49.8 82.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.695 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.4 m -53.7 -47.45 70.49 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.507 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.42 -53.53 57.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.42 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.8 m -61.03 -38.19 85.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.323 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.556 ' O ' HG12 ' A' 1350 ' ' ILE . 63.9 mt -59.22 -52.16 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.266 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -57.33 -47.5 81.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.392 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -60.07 -43.95 95.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.661 0.267 . . . . 0.0 110.91 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -60.25 -44.5 95.22 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.24 0.543 . . . . 0.0 109.698 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.606 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 35.0 mm -70.86 -35.24 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.271 -177.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 91.8 m -72.26 -26.03 61.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.933 0.397 . . . . 0.0 111.434 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 71.5 mtm -80.02 -36.23 36.15 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.145 -0.347 . . . . 0.0 111.267 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1353 ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' 1350 ' ' ILE . 24.5 p -84.28 -38.55 20.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.941 0.4 . . . . 0.0 110.731 178.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 20.8 m -110.3 96.51 6.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.14 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -76.69 139.2 40.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.008 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.38 110.56 22.81 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.556 -177.671 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.409 -0.277 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 5.4 tt -66.12 128.47 29.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.589 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1202 ' ' ASP . . . . . 0.445 ' OD2' ' HD3' ' A' 1207 ' ' ARG . 10.7 t70 -167.96 148.46 4.56 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1203 ' ' PRO . . . . . 0.405 ' HD2' ' CG ' ' A' 1202 ' ' ASP . 74.7 Cg_exo -50.01 109.7 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.655 2.236 . . . . 0.0 112.277 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -73.25 -177.35 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1205 ' ' THR . . . . . 0.496 ' HA ' ' CB ' ' A' 1268 ' ' ALA . 23.2 m 73.28 -67.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.654 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -71.46 -29.3 64.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.552 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.445 ' HD3' ' OD2' ' A' 1202 ' ' ASP . 21.1 tpt180 -74.98 -39.87 61.04 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.079 175.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1208 ' ' ASP . . . . . 0.464 ' HB2' ' HB1' ' A' 1268 ' ' ALA . 14.9 m-20 -60.01 -35.79 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.636 ' HA ' ' OG ' ' A' 1271 ' ' SER . 29.7 m -80.4 -39.23 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.208 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1210 ' ' ASP . . . . . 0.58 ' HA ' ' HD3' ' A' 1320 ' ' LYS . 36.7 t70 -77.35 -30.97 54.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.853 0.358 . . . . 0.0 111.648 -176.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.39 -29.57 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 0.0 110.555 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1212 ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' 1216 ' ' VAL . . . -66.42 -44.53 82.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.427 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1213 ' ' LEU . . . . . 0.696 HD11 ' HB3' ' A' 1316 ' ' LEU . 7.1 mp -63.56 -35.32 80.11 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.155 177.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -56.56 -43.75 80.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.782 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.74 -44.98 65.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.003 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.682 HG13 ' CE2' ' A' 1278 ' ' PHE . 84.9 t -58.98 -47.65 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.984 0.421 . . . . 0.0 110.834 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.94 -41.27 97.45 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.48 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.75 -44.12 82.32 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.649 -0.324 . . . . 0.0 110.148 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.15 71.42 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.016 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 38.4 m -58.12 -54.16 50.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.968 0.413 . . . . 0.0 110.699 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1221 ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' 1221 ' ' LYS . 3.9 mptp? -76.0 -26.49 56.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 111.035 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -72.45 -25.21 61.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.261 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.502 HD21 ' HG2' ' A' 1283 ' ' GLU . 62.7 mt -111.27 -54.5 2.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.248 -172.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1224 ' ' LEU . . . . . 0.48 HD22 HG13 ' A' 1302 ' ' VAL . 83.0 mt -58.85 -76.42 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.188 0.305 . . . . 0.0 111.76 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 19.2 m 53.18 -154.53 0.22 Allowed 'General case' 0 CA--C 1.535 0.387 0 O-C-N 123.329 0.393 . . . . 0.0 110.891 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -129.18 144.3 51.16 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 11.1 mp 60.46 94.49 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.811 0.695 . . . . 0.0 112.261 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1228 ' ' LEU . . . . . 0.532 ' HB2' ' HD2' ' A' 1298 ' ' ARG . 94.2 mt -117.56 106.85 45.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.964 176.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1229 ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.61 136.84 40.57 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.556 2.171 . . . . 0.0 112.365 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1230 ' ' PRO . . . . . 0.743 ' HA ' ' O ' ' A' 1290 ' ' GLY . 68.3 Cg_endo -76.7 151.18 31.83 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.742 2.295 . . . . 0.0 112.532 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 15.6 p -121.03 -176.2 3.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.094 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1232 ' ' THR . . . . . 0.55 ' HA ' ' CE2' ' A' 1235 ' ' PHE . 1.3 p -112.56 158.33 20.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.511 0.196 . . . . 0.0 111.096 179.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 82.73 -48.83 4.08 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.665 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1234 ' ' THR . . . . . 0.856 ' HA ' ' HB3' ' A' 1237 ' ' GLU . 0.2 OUTLIER -55.69 -17.69 6.4 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.263 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1235 ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' 1232 ' ' THR . 85.7 m-85 -51.11 -67.88 0.22 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.037 0.446 . . . . 0.0 110.985 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -78.32 -21.81 49.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.14 0.495 . . . . 0.0 109.933 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1237 ' ' GLU . . . . . 0.856 ' HB3' ' HA ' ' A' 1234 ' ' THR . 32.8 tt0 -58.07 -47.51 82.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.123 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1238 ' ' ALA . . . . . 0.789 ' HA ' ' HG2' ' A' 1241 ' ' ARG . . . -79.31 -27.56 42.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.047 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -55.66 -53.79 52.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 14.6 m -64.99 -38.37 90.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.877 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1241 ' ' ARG . . . . . 0.789 ' HG2' ' HA ' ' A' 1238 ' ' ALA . 14.0 ptm180 -75.24 -28.43 59.86 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.981 -173.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1242 ' ' LEU . . . . . 0.466 HD22 ' HB1' ' A' 1284 ' ' ALA . 1.0 OUTLIER -60.38 -45.9 91.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.375 174.661 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -66.05 -39.51 90.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.264 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.78 -49.0 64.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.094 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.42 80.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -57.68 -53.33 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.39 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.21 -37.07 71.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.344 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -68.96 -44.69 66.5 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.219 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 32.2 tp -68.3 -31.16 70.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.642 0.258 . . . . 0.0 111.03 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 11.1 m120 -54.99 -50.45 68.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.136 0.493 . . . . 0.0 110.571 175.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 17.2 tm0? -72.49 -33.82 67.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.037 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1252 ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -58.09 -42.11 84.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 177.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -67.29 -32.77 73.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.096 0.474 . . . . 0.0 110.301 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 29.9 m -63.3 -36.22 82.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.699 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1255 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.48 -43.32 99.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.203 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.39 -38.26 86.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.548 0.213 . . . . 0.0 110.912 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 48.9 t -60.71 -52.6 59.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-O 120.981 0.42 . . . . 0.0 110.663 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -64.54 -42.07 95.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.627 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.55 88.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.385 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1260 ' ' SER . . . . . 0.513 ' OG ' ' HG ' ' A' 1335 ' ' LEU . 63.5 m -59.85 -31.07 69.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.79 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -97.03 4.39 51.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -177.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -117.6 -71.4 0.42 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.708 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1263 ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' 1266 ' ' ASP . 2.7 t -156.47 136.14 8.34 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.749 0.309 . . . . 0.0 111.251 -177.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1264 ' ' PRO . . . . . 0.744 ' HA ' HD13 ' A' 1267 ' ' LEU . 50.5 Cg_exo -54.7 -30.76 68.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.483 2.788 . . . . 0.0 112.901 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -70.36 -20.67 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.328 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1266 ' ' ASP . . . . . 0.424 ' HB2' HG23 ' A' 1263 ' ' THR . 16.5 t70 -79.88 -32.05 40.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.329 . . . . 0.0 110.123 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.744 HD13 ' HA ' ' A' 1264 ' ' PRO . 6.6 mp -59.84 -34.2 72.78 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.121 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1268 ' ' ALA . . . . . 0.496 ' CB ' ' HA ' ' A' 1205 ' ' THR . . . -57.57 -55.14 38.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.217 179.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -69.23 -35.43 76.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.358 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.09 85.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.624 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1271 ' ' SER . . . . . 0.636 ' OG ' ' HA ' ' A' 1209 ' ' VAL . 7.5 t -63.17 -41.57 99.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.789 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.69 92.27 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.986 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -74.37 -50.01 20.4 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1274 ' ' PHE . . . . . 0.413 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 73.5 t80 -56.53 -48.26 77.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.496 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.32 95.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.775 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.29 -51.88 27.1 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.526 0.203 . . . . 0.0 111.085 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -63.27 -36.05 82.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.517 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.682 ' CE2' HG13 ' A' 1216 ' ' VAL . 74.2 t80 -60.96 -45.03 96.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.537 175.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1279 ' ' SER . . . . . 0.579 ' O ' ' HG3' ' A' 1283 ' ' GLU . 51.9 m -54.5 -54.43 41.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.047 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 14.3 m -60.86 -40.34 92.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.154 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 82.7 t80 -63.71 -48.31 77.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.64 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' 1286 ' ' VAL . 43.6 tp -64.44 -45.92 85.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.712 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1283 ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' 1279 ' ' SER . 58.8 mt-10 -60.53 -35.78 76.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.9 0.381 . . . . 0.0 110.452 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1284 ' ' ALA . . . . . 0.466 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -71.37 -43.31 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.78 177.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -60.39 -47.12 92.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.175 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' 1282 ' ' LEU . 45.5 t -67.22 -30.0 47.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 0.0 110.107 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1287 ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' 1291 ' ' GLN . 9.3 tp10 -59.52 -53.48 57.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.182 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.579 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 19.9 ptm -72.74 -26.63 61.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.98 90.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 171.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1290 ' ' GLY . . . . . 0.743 ' O ' ' HA ' ' A' 1230 ' ' PRO . . . -83.93 31.68 3.34 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.604 177.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.579 ' HG2' ' HA ' ' A' 1288 ' ' MET . 77.5 mm-40 -116.39 -12.38 11.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.494 0.664 . . . . 0.0 109.234 171.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -67.71 128.7 93.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.315 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -62.27 -34.05 79.07 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.58 2.186 . . . . 0.0 112.117 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1294 ' ' SER . . . . . 0.403 ' HB2' ' CB ' ' A' 1297 ' ' ASP . 19.1 m -91.16 126.79 36.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.063 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1295 ' ' GLN . . . . . 0.459 ' O ' ' HB3' ' A' 1298 ' ' ARG . 26.2 pt20 -66.9 -27.03 67.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.486 0.184 . . . . 0.0 111.254 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.85 -34.54 57.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.991 0.424 . . . . 0.0 109.957 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1297 ' ' ASP . . . . . 0.403 ' CB ' ' HB2' ' A' 1294 ' ' SER . 19.3 t70 -68.35 -34.85 76.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.532 ' HD2' ' HB2' ' A' 1228 ' ' LEU . 12.8 ttp85 -55.8 -43.75 77.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.946 170.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -66.35 -28.69 68.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.232 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1300 ' ' GLN . . . . . 0.403 ' HB3' ' O ' ' A' 1297 ' ' ASP . 34.1 tt0 -58.59 -48.88 79.47 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.605 ' O ' ' HG ' ' A' 1305 ' ' LEU . 16.8 t -59.95 -44.22 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.769 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.48 HG13 HD22 ' A' 1224 ' ' LEU . 90.7 t -57.62 -39.44 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.141 178.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1303 ' ' SER . . . . . 0.511 ' HA ' ' HE3' ' A' 1306 ' ' LYS . 26.6 t -61.01 -36.52 79.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.038 0.447 . . . . 0.0 110.333 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -76.17 -39.97 53.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.241 0.543 . . . . 0.0 109.819 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' 1301 ' ' VAL . 95.6 mt -62.0 -36.63 82.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.538 -178.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1306 ' ' LYS . . . . . 0.564 ' HA ' ' OG ' ' A' 1309 ' ' SER . 16.1 ptpt -64.75 -28.83 69.85 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.888 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -58.97 -45.67 94.82 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.823 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -40.73 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 122.675 -0.309 . . . . 0.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1309 ' ' SER . . . . . 0.633 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 24.3 p -65.13 -47.5 76.89 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.763 0.316 . . . . 0.0 111.619 -176.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1310 ' ' MET . . . . . 0.549 ' O ' ' HG3' ' A' 1314 ' ' LYS . 90.7 mtp -67.6 -37.2 82.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.647 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1311 ' ' SER . . . . . 0.807 ' HA ' ' HD2' ' A' 1314 ' ' LYS . 69.2 m -65.22 -33.37 75.84 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.728 177.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 49.6 m -67.22 -38.67 85.66 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.371 0.605 . . . . 0.0 109.47 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.551 ' O ' ' HG ' ' A' 1317 ' ' LEU . 41.5 m -62.04 -48.11 81.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.046 174.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.807 ' HD2' ' HA ' ' A' 1311 ' ' SER . 56.3 mttm -56.51 -43.41 79.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.564 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.17 -51.3 69.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.064 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.696 ' HB3' HD11 ' A' 1213 ' ' LEU . 89.4 mt -65.45 -30.17 70.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.434 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' 1313 ' ' SER . 78.6 mt -57.26 -47.38 81.56 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 110.387 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.6 -36.38 76.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.581 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.06 86.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.31 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1320 ' ' LYS . . . . . 0.58 ' HD3' ' HA ' ' A' 1210 ' ' ASP . 32.5 mtmt -59.14 -52.05 67.39 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 178.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.05 88.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.801 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.512 HD11 ' CE ' ' A' 1332 ' ' LYS . 20.4 tp -66.12 -29.37 69.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.834 0.349 . . . . 0.0 111.499 -175.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1323 ' ' SER . . . . . 0.465 ' HA ' ' HB3' ' A' 1264 ' ' PRO . 43.5 m -72.03 -14.13 61.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.842 0.353 . . . . 0.0 111.313 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 11.9 t -125.67 10.6 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.118 0.485 . . . . 0.0 110.433 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1325 ' ' ASP . . . . . 0.413 ' N ' ' HD3' ' A' 1326 ' ' PRO . 28.7 t70 -156.83 56.36 1.17 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.307 -177.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1326 ' ' PRO . . . . . 0.431 ' HA ' HD12 ' A' 1322 ' ' LEU . 95.6 Cg_endo -85.0 17.39 1.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.462 2.108 . . . . 0.0 113.36 -172.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1327 ' ' ALA . . . . . 0.469 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -100.09 -7.58 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.787 0.327 . . . . 0.0 110.955 177.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 18.2 m -90.97 108.36 27.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.47 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1329 ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' 1327 ' ' ALA . 28.2 Cg_exo -62.61 -34.51 74.36 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.981 2.454 . . . . 0.0 112.001 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 8.6 p30 -61.33 -30.43 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.673 177.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 12.1 tp -77.18 -34.76 56.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.064 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.512 ' CE ' HD11 ' A' 1322 ' ' LEU . 1.4 mptm? -64.51 -38.62 91.66 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.275 0.56 . . . . 0.0 109.817 172.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 39.8 m -66.81 -48.46 68.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.055 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.27 -37.14 84.33 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.956 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1335 ' ' LEU . . . . . 0.513 ' HG ' ' OG ' ' A' 1260 ' ' SER . 1.6 tm? -56.7 -53.0 62.73 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.78 84.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.28 81.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' 1342 ' ' VAL . . . -68.14 -38.05 81.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.726 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.54 96.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.632 177.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1340 ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' 1340 ' ' ARG . 27.1 mmt180 -65.66 -37.53 86.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.311 176.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.83 88.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.455 176.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' 1346 ' ' ILE . 82.7 t -60.81 -52.61 59.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.732 178.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.3 m -61.03 -45.58 94.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.357 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -38.06 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.436 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 43.2 m -66.36 -37.67 85.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.704 0.288 . . . . 0.0 110.63 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' 1342 ' ' VAL . 94.0 mt -58.07 -52.99 51.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.086 175.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.44 -43.03 88.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.144 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -61.98 -42.96 99.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.5 -46.16 73.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.767 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' 1346 ' ' ILE . 29.4 mm -63.77 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1351 ' ' THR . . . . . 0.754 ' O ' ' HG3' ' A' 1355 ' ' GLN . 88.2 m -56.59 -55.71 30.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.297 177.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1352 ' ' MET . . . . . 0.59 ' HA ' ' OE1' ' A' 1355 ' ' GLN . 24.2 ttt -58.91 -45.15 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.184 -175.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 78.4 m -68.11 -40.56 82.53 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -173.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 14.8 m -85.37 -4.74 59.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.776 0.322 . . . . 0.0 111.851 -175.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1355 ' ' GLN . . . . . 0.754 ' HG3' ' O ' ' A' 1351 ' ' THR . 55.6 mt-30 -62.4 -50.04 73.09 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.693 0.282 . . . . 0.0 111.097 177.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -82.48 94.13 7.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.027 0.441 . . . . 0.0 109.937 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.137 -179.816 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 30.1 pt -88.21 21.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.746 0.784 . . . . 0.0 109.868 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1202 ' ' ASP . . . . . 0.521 ' HB2' ' HD2' ' A' 1207 ' ' ARG . 11.2 p-10 -134.6 144.9 52.76 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.317 -172.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1203 ' ' PRO . . . . . 0.684 ' HB2' ' HG2' ' A' 1206 ' ' GLN . 6.1 Cg_exo -78.83 87.89 1.51 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.494 2.129 . . . . 0.0 110.526 170.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 51.9 p90 -63.5 -20.36 65.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.022 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1205 ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' 1268 ' ' ALA . 10.1 p -70.2 -7.34 41.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.127 -179.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.697 ' O ' HG22 ' A' 1209 ' ' VAL . 11.9 pt20 -123.79 -28.18 3.86 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.404 177.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.521 ' HD2' ' HB2' ' A' 1202 ' ' ASP . 66.1 mtp180 -55.16 -26.0 35.94 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -176.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.48 -29.37 70.42 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' 1206 ' ' GLN . 10.5 m -74.5 -25.84 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.106 0.479 . . . . 0.0 109.995 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.38 -44.84 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.143 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.72 -30.33 70.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.821 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1212 ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' 1216 ' ' VAL . . . -63.75 -40.6 97.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.358 175.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1213 ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' 1209 ' ' VAL . 39.7 mt -65.63 -40.09 92.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1214 ' ' ARG . . . . . 0.439 ' C ' ' HD3' ' A' 1214 ' ' ARG . 2.7 tmt_? -59.19 -41.23 88.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.23 -54.12 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.972 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.459 HG13 ' CE2' ' A' 1278 ' ' PHE . 48.9 t -62.06 -45.45 98.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.003 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1217 ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -61.28 -48.12 87.23 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.743 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.82 -41.94 74.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.845 0.323 . . . . 0.0 110.987 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1219 ' ' ALA . . . . . 0.478 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -62.61 -44.29 96.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.696 0.284 . . . . 0.0 111.147 -178.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1220 ' ' SER . . . . . 0.503 ' HA ' HD23 ' A' 1224 ' ' LEU . 13.3 p -62.05 -36.37 81.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 111.028 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1221 ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' 1217 ' ' GLY . 49.0 mtmt -74.12 -50.52 19.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 178.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -68.29 -32.67 72.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.317 -172.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.604 ' HB3' HG11 ' A' 1286 ' ' VAL . 91.2 mt -95.89 -48.39 5.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -172.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1224 ' ' LEU . . . . . 0.696 HD21 HD11 ' A' 1282 ' ' LEU . 3.7 mm? -77.11 -5.73 50.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 111.787 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 16.5 m -145.46 161.5 39.58 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.193 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 62.01 63.41 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.665 0.603 . . . . 0.0 111.372 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 3.4 mm? 73.06 141.34 0.06 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.533 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 90.3 mt -100.22 145.64 30.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.377 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.493 ' HA ' ' HD3' ' A' 1230 ' ' PRO . 34.1 Cg_exo -60.87 117.1 3.84 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.765 2.31 . . . . 0.0 111.365 173.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1230 ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 57.1 Cg_endo -108.67 39.03 0.03 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.957 3.105 . . . . 0.0 114.358 -176.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 96.9 p -152.72 -146.24 0.19 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.595 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 24.0 m 74.14 -54.01 0.68 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.271 0.628 . . . . 0.0 111.934 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -143.42 174.88 23.75 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.626 -0.589 . . . . 0.0 111.626 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 3.5 m -74.01 -66.15 0.75 Allowed 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 116.828 0.314 . . . . 0.0 110.441 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 1.4 p90 -161.82 -50.46 0.04 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.533 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -70.6 -34.22 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.467 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -62.28 -32.14 72.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.591 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -68.25 -34.57 76.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.057 0.456 . . . . 0.0 110.115 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -73.82 -45.26 52.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.398 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.6 m -62.38 -36.88 83.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.302 0.572 . . . . 0.0 110.128 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -61.48 -43.28 99.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.875 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 42.1 tp -65.1 -38.21 89.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.108 177.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 15.4 m120 -59.05 -44.21 91.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.307 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.1 -38.69 75.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.3 0.571 . . . . 0.0 109.976 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1245 ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -61.61 -42.02 98.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.836 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1246 ' ' ALA . . . . . 0.486 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -58.03 -51.77 68.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.379 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.35 71.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.215 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.11 -50.52 22.29 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.001 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1249 ' ' LEU . . . . . 0.451 HD12 ' HB3' ' A' 1252 ' ' ALA . 33.0 tp -66.06 -31.37 72.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.561 0.22 . . . . 0.0 110.946 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -57.5 -41.32 80.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.92 0.391 . . . . 0.0 110.183 174.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' 1254 ' ' THR . 42.1 tt0 -72.49 -38.64 68.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1252 ' ' ALA . . . . . 0.844 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -55.74 -46.43 77.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.952 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1253 ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' 1257 ' ' VAL . . . -66.38 -38.57 87.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 110.284 175.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1254 ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' 1251 ' ' GLN . 39.2 m -58.25 -40.89 82.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.484 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1255 ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.58 -29.19 69.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.179 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.529 ' HB3' HD21 ' A' 1335 ' ' LEU . 22.4 mt -73.34 -30.9 63.64 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.397 174.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1257 ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' 1253 ' ' ALA . 66.5 t -60.9 -53.84 43.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.57 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.68 -38.58 91.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.043 0.449 . . . . 0.0 111.023 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.83 83.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.294 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1260 ' ' SER . . . . . 0.461 ' HB3' HD22 ' A' 1335 ' ' LEU . 96.1 p -57.93 -32.41 67.75 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -111.97 21.88 15.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.972 0.415 . . . . 0.0 111.015 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.29 -87.79 0.96 Allowed Glycine 0 N--CA 1.436 -1.321 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 68.4 p -145.46 151.13 46.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.475 0.178 . . . . 0.0 111.225 -176.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1264 ' ' PRO . . . . . 0.682 ' HA ' HD12 ' A' 1267 ' ' LEU . 50.0 Cg_exo -58.91 -27.28 84.07 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.77 2.313 . . . . 0.0 111.571 173.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1265 ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' 1269 ' ' ARG . 76.2 mt-30 -68.1 -42.35 80.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.507 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.33 -37.39 80.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' 1264 ' ' PRO . 45.1 mt -55.02 -47.99 74.0 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.86 174.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1268 ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' 1205 ' ' THR . . . -59.47 -53.93 52.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1269 ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' 1265 ' ' GLN . 19.3 mtm180 -57.49 -38.56 74.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.382 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -68.07 -41.31 82.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.074 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1271 ' ' SER . . . . . 0.465 ' OG ' HG12 ' A' 1209 ' ' VAL . 34.6 m -62.56 -45.2 94.04 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.875 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.65 97.28 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.887 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -68.47 -42.65 78.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.514 0.197 . . . . 0.0 110.923 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1274 ' ' PHE . . . . . 0.844 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 68.7 t80 -57.92 -52.79 64.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.813 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -64.69 -35.76 92.32 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.213 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -69.6 -52.74 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.657 0.265 . . . . 0.0 111.131 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.85 -36.69 85.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.459 ' CE2' HG13 ' A' 1216 ' ' VAL . 88.3 t80 -59.12 -38.08 78.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.773 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 49.3 m -56.32 -50.83 70.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 10.2 m -61.76 -42.18 98.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.789 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1281 ' ' PHE . . . . . 0.643 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 79.8 t80 -60.11 -51.39 69.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.087 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.696 HD11 HD21 ' A' 1224 ' ' LEU . 23.1 tp -67.09 -39.56 86.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -175.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.42 -37.4 83.37 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.777 0.323 . . . . 0.0 110.904 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -69.94 -41.1 75.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.834 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.14 -47.28 90.92 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.691 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.604 HG11 ' HB3' ' A' 1223 ' ' LEU . 27.8 m -72.62 -24.53 21.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 122.578 -0.366 . . . . 0.0 111.363 -179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -63.24 -48.22 79.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.486 ' O ' ' HG3' ' A' 1291 ' ' GLN . 23.8 ptm -75.02 -25.49 58.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.719 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -61.85 -33.79 74.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.069 0.461 . . . . 0.0 110.537 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -71.7 -40.54 58.46 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.604 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' 1288 ' ' MET . 1.4 pp0? -77.91 -8.26 57.85 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 122.791 -0.24 . . . . 0.0 111.414 -176.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -52.95 128.75 47.35 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.181 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.95 -62.82 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.182 2.588 . . . . 0.0 113.096 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 77.8 p -95.22 165.81 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.017 0.436 . . . . 0.0 110.674 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.22 -23.23 61.97 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -73.43 -42.52 61.91 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.682 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -59.44 -42.72 92.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.967 0.413 . . . . 0.0 110.179 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' 1302 ' ' VAL . 42.4 ttm180 -63.73 -44.01 94.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.602 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.36 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.088 0.47 . . . . 0.0 111.024 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -61.91 -40.62 96.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.337 -177.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' A' 1305 ' ' LEU . 7.1 p -79.71 -39.1 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.47 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.538 ' HA ' HD12 ' A' 1305 ' ' LEU . 62.3 t -61.52 -35.71 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -176.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 67.3 p -58.09 -46.14 86.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 111.086 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1304 ' ' ASN . . . . . 0.821 ' HB2' HD23 ' A' 1349 ' ' LEU . 10.0 m120 -71.88 -31.35 66.34 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.119 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.4 mt -60.5 -40.93 93.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.445 178.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -64.68 -47.02 79.94 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.29 -50.82 54.69 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.634 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -36.58 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.433 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 36.9 t -62.88 -51.92 65.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.648 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1310 ' ' MET . . . . . 0.563 ' O ' ' HG3' ' A' 1314 ' ' LYS . 0.0 OUTLIER -62.18 -40.56 96.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 53.1 m -60.42 -37.97 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.615 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 53.3 m -63.61 -43.12 97.82 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.349 0.595 . . . . 0.0 109.971 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.63 ' O ' ' HG ' ' A' 1317 ' ' LEU . 66.7 m -60.78 -48.17 83.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.634 175.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' A' 1310 ' ' MET . 65.2 mttm -59.63 -35.52 74.54 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.031 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.571 HD22 ' HA ' ' A' 1339 ' ' ALA . 29.1 tp -65.89 -50.97 62.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.998 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' A' 1320 ' ' LYS . 91.1 mt -63.34 -30.11 71.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.493 -177.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' 1313 ' ' SER . 89.4 mt -58.46 -45.64 88.18 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.678 0.275 . . . . 0.0 110.824 177.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.47 -35.0 78.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.669 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.95 96.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.893 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1320 ' ' LYS . . . . . 0.499 ' HG2' ' CG2' ' A' 1209 ' ' VAL . 9.7 mtmp? -59.78 -56.27 23.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 0.0 110.668 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -61.72 -31.32 71.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.015 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.573 HD11 ' HD2' ' A' 1332 ' ' LYS . 20.1 tp -77.73 -16.4 58.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -177.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 50.6 m -81.5 -31.72 32.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.362 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 26.8 p -86.56 -41.28 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.47 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -116.31 90.03 28.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.276 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.29 13.46 2.26 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.729 2.286 . . . . 0.0 111.676 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -100.97 -24.64 14.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.879 -175.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1328 ' ' SER . . . . . 0.439 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 10.9 t -74.75 118.33 69.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 110.946 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1329 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1328 ' ' SER . 24.4 Cg_exo -63.98 -45.78 9.72 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.226 2.617 . . . . 0.0 112.252 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 42.0 t30 -60.95 -28.14 68.76 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.725 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.6 -30.32 68.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.176 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.573 ' HD2' HD11 ' A' 1322 ' ' LEU . 4.2 mptp? -70.12 -46.79 64.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.177 0.513 . . . . 0.0 109.788 172.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 7.2 m -61.26 -43.79 98.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.155 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -61.58 -42.61 99.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.997 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1335 ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' 1256 ' ' LEU . 7.3 tt -61.91 -47.37 85.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.84 80.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.163 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -69.0 -41.17 78.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.539 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.28 -41.91 84.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.309 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1339 ' ' ALA . . . . . 0.571 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.65 -36.83 81.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.131 0.491 . . . . 0.0 110.319 176.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -62.93 -43.55 98.48 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.906 175.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.44 99.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.628 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.583 ' O ' HG13 ' A' 1346 ' ' ILE . 64.3 t -63.47 -52.56 56.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.448 177.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1343 ' ' THR . . . . . 0.486 ' HA ' HD12 ' A' 1346 ' ' ILE . 29.4 m -60.3 -36.65 78.39 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.134 0.493 . . . . 0.0 110.863 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.16 -47.25 74.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.465 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 25.5 m -66.69 -32.31 73.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.392 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.583 HG13 ' O ' ' A' 1342 ' ' VAL . 97.0 mt -59.09 -54.27 36.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.083 0.468 . . . . 0.0 110.141 175.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -66.27 -39.24 89.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -57.93 -38.01 75.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.401 . . . . 0.0 110.689 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.821 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.1 tm? -68.06 -39.6 82.97 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' 1346 ' ' ILE . 46.2 mm -70.3 -40.89 78.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.331 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 23.6 m -64.53 -26.86 68.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.241 0.543 . . . . 0.0 110.69 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 50.4 tpp -78.63 -48.24 15.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.718 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1353 ' ' CYS . . . . . 0.453 ' HB3' ' HE1' ' A' 1288 ' ' MET . 55.7 m -77.49 -55.13 5.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.148 -176.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 9.8 m -86.18 79.46 9.1 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 176.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -67.66 137.23 55.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.856 -173.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -94.53 -17.5 22.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 170.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.327 177.524 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1201 ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' 1201 ' ' ILE . 3.2 mp -101.67 107.83 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.989 0.423 . . . . 0.0 110.22 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1202 ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' 1207 ' ' ARG . 6.5 p-10 -136.67 140.61 32.57 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.974 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -78.85 -176.11 3.11 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.508 2.139 . . . . 0.0 111.136 175.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1204 ' ' PHE . . . . . 0.524 ' HA ' ' HD2' ' A' 1207 ' ' ARG . 99.1 m-85 -80.13 58.12 2.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.829 0.823 . . . . 0.0 109.857 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1205 ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' 1206 ' ' GLN . 38.5 m -143.57 125.73 15.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.596 -1.184 . . . . 0.0 108.509 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.579 ' O ' HG22 ' A' 1209 ' ' VAL . 79.4 mt-30 78.91 -29.54 0.15 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.827 0.851 . . . . 0.0 110.695 -175.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.524 ' HD2' ' HA ' ' A' 1204 ' ' PHE . 7.7 ptp180 -67.52 -17.51 64.69 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 172.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.08 -35.1 46.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.347 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.723 HG21 ' HA ' ' A' 1320 ' ' LYS . 22.9 m -59.89 -38.67 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.156 0.503 . . . . 0.0 110.376 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.3 -33.92 23.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.416 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.24 -37.89 89.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.248 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1212 ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' 1216 ' ' VAL . . . -63.86 -33.61 76.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.745 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1213 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 1209 ' ' VAL . 70.5 mt -62.07 -34.82 77.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1214 ' ' ARG . . . . . 0.425 ' HA ' ' HD2' ' A' 1214 ' ' ARG . 5.7 tpt180 -65.78 -40.34 91.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.244 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.17 95.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.461 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1212 ' ' ALA . 64.3 t -63.4 -41.43 92.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.483 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.97 -49.61 66.31 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.396 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -60.98 -52.11 66.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 120.313 0.102 . . . . 0.0 111.259 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1219 ' ' ALA . . . . . 0.503 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -53.11 -48.57 67.73 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.353 0.408 . . . . 0.0 111.205 -175.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1220 ' ' SER . . . . . 0.713 ' O ' ' HG ' ' A' 1224 ' ' LEU . 38.2 m -65.63 -55.17 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.151 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 64.7 mttp -67.94 -27.29 66.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -172.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -57.28 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.887 0.375 . . . . 0.0 110.714 176.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.799 ' HB3' HG11 ' A' 1286 ' ' VAL . 89.5 mt -72.14 -60.35 2.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -169.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1224 ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' 1220 ' ' SER . 4.1 pp -78.41 5.87 9.69 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.666 -170.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 40.9 t -73.56 -63.41 1.2 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -167.68 22.61 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.231 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1227 ' ' LEU . . . . . 0.651 ' HB3' ' HA ' ' A' 1223 ' ' LEU . 48.4 tp -110.51 84.44 1.93 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.162 0.506 . . . . 0.0 110.473 -174.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1228 ' ' LEU . . . . . 0.664 HD13 ' HA2' ' A' 1290 ' ' GLY . 89.7 mt -103.04 116.47 62.36 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.538 177.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.614 ' HG2' ' HA ' ' A' 1287 ' ' GLU . 10.5 Cg_endo -53.96 142.8 63.53 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.999 2.466 . . . . 0.0 112.43 -177.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.64 127.34 25.01 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.064 2.509 . . . . 0.0 111.679 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 20.4 m -71.72 96.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.237 -176.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 1.5 p -64.29 -73.72 0.11 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.305 175.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -118.7 -45.79 0.46 Allowed Glycine 0 N--CA 1.44 -1.086 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 171.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 39.8 p 50.09 -157.05 0.09 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.698 0.799 . . . . 0.0 111.993 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 94.3 m-85 58.95 -100.39 0.11 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.223 -175.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -33.04 67.59 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.36 -41.79 96.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.244 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.05 -37.5 84.18 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.029 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -61.75 -47.61 84.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.457 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 32.0 m -59.78 -43.25 94.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.085 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -68.12 -43.27 78.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.023 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1242 ' ' LEU . . . . . 0.405 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 56.4 tp -61.34 -45.88 92.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.098 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -61.69 -37.65 84.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.677 0.275 . . . . 0.0 111.307 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.85 -50.37 56.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.293 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.71 76.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.247 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1246 ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -60.88 -53.43 57.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.193 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1247 ' ' ALA . . . . . 0.419 ' HA ' HD21 ' A' 1250 ' ' ASN . . . -63.66 -35.43 80.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.761 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -60.51 -44.3 97.88 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.532 175.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 37.4 tp -72.84 -31.42 64.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.684 0.278 . . . . 0.0 110.857 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1250 ' ' ASN . . . . . 0.419 HD21 ' HA ' ' A' 1247 ' ' ALA . 94.2 m-20 -58.81 -47.71 83.83 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.425 0.631 . . . . 0.0 109.647 174.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' 1254 ' ' THR . 0.0 OUTLIER -70.47 -33.38 71.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.864 179.484 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1252 ' ' ALA . . . . . 0.782 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -62.66 -40.16 96.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.744 177.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1253 ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' 1257 ' ' VAL . . . -67.1 -38.09 85.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.217 0.532 . . . . 0.0 109.814 174.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1254 ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' 1251 ' ' GLN . 94.5 m -59.35 -33.96 71.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.978 177.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.744 ' HG3' ' HG2' ' A' 1273 ' ' ARG . 76.5 mm-40 -55.97 -51.74 66.65 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.769 0.319 . . . . 0.0 110.295 174.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.662 ' HB3' HD11 ' A' 1335 ' ' LEU . 39.1 mt -62.31 -34.7 77.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.723 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1257 ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' 1253 ' ' ALA . 93.1 t -61.04 -43.58 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 111.109 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -72.29 -33.66 67.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.17 0.51 . . . . 0.0 110.367 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1259 ' ' ALA . . . . . 0.742 ' HB1' HD22 ' A' 1267 ' ' LEU . . . -74.8 -25.34 58.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.164 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1260 ' ' SER . . . . . 0.585 ' O ' ' HG3' ' A' 1332 ' ' LYS . 88.5 p -49.3 -28.83 5.21 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -169.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -63.82 -16.54 61.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.842 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 108.22 82.93 1.48 Allowed Glycine 0 CA--C 1.496 -1.133 0 C-N-CA 120.841 -0.695 . . . . 0.0 114.029 168.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1263 ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' 1266 ' ' ASP . 73.4 p -143.63 114.43 5.6 Favored Pre-proline 0 N--CA 1.442 -0.871 0 CA-C-N 114.745 -0.727 . . . . 0.0 109.599 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.7 -48.58 18.65 Favored 'Trans proline' 0 N--CA 1.474 0.373 0 C-N-CA 123.512 2.808 . . . . 0.0 113.955 -171.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -70.37 -26.12 63.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.682 -175.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1266 ' ' ASP . . . . . 0.529 ' HB2' ' OG1' ' A' 1263 ' ' THR . 10.6 m-20 -80.28 -50.85 9.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.609 178.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.742 HD22 ' HB1' ' A' 1259 ' ' ALA . 3.1 mm? -51.36 -54.31 27.65 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.413 0.446 . . . . 0.0 111.212 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1268 ' ' ALA . . . . . 0.43 ' HB2' ' H ' ' A' 1206 ' ' GLN . . . -60.84 -47.29 87.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.354 -177.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -61.56 -44.65 96.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.191 0.519 . . . . 0.0 110.052 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.36 -34.4 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.271 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1271 ' ' SER . . . . . 0.412 ' OG ' HG12 ' A' 1209 ' ' VAL . 27.5 m -64.03 -45.1 90.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.741 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -69.39 -37.92 80.01 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.533 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1273 ' ' ARG . . . . . 0.744 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 6.1 tpm_? -60.11 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.534 176.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1274 ' ' PHE . . . . . 0.782 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 82.2 t80 -63.45 -50.02 71.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.317 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.59 -33.03 85.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.639 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -71.09 -50.65 31.45 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.711 -0.288 . . . . 0.0 110.688 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.43 -33.13 75.16 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.032 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' 1309 ' ' SER . 75.0 t80 -57.86 -44.56 86.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.164 175.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1279 ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' 1283 ' ' GLU . 19.6 m -58.0 -48.6 79.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.889 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 25.3 m -61.57 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.156 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1281 ' ' PHE . . . . . 0.468 ' HE2' HG21 ' A' 1308 ' ' ILE . 86.0 t80 -61.55 -47.37 85.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.043 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.503 HD23 ' HB1' ' A' 1219 ' ' ALA . 23.2 tp -66.24 -37.91 86.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -176.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1283 ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' 1279 ' ' SER . 52.3 mt-10 -64.54 -38.47 91.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.746 0.307 . . . . 0.0 110.597 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.07 85.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.209 0.528 . . . . 0.0 110.139 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1285 ' ' GLY . . . . . 0.609 ' O ' ' HG3' ' A' 1288 ' ' MET . . . -64.07 -44.31 96.0 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.403 177.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.799 HG11 ' HB3' ' A' 1223 ' ' LEU . 23.0 m -73.17 -24.27 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 O-C-N 122.38 -0.483 . . . . 0.0 111.066 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1287 ' ' GLU . . . . . 0.614 ' HA ' ' HG2' ' A' 1229 ' ' PRO . 41.1 tt0 -64.36 -45.76 86.32 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 173.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.611 ' SD ' HG21 ' A' 1301 ' ' VAL . 2.5 ppp? -73.53 -26.56 60.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.061 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -70.76 -29.24 65.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.017 0.437 . . . . 0.0 110.298 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1290 ' ' GLY . . . . . 0.664 ' HA2' HD13 ' A' 1228 ' ' LEU . . . -75.68 -25.51 67.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.605 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' 1288 ' ' MET . 5.3 pp0? -85.73 -11.38 53.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.745 0.273 . . . . 0.0 110.759 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1292 ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -69.43 113.44 16.94 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.171 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1293 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 1.7 Cg_endo -81.88 -17.96 8.0 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 123.287 2.658 . . . . 0.0 112.654 -174.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 9.4 m -97.9 131.44 44.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.923 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -67.61 -40.69 84.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -174.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -69.18 -44.19 72.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.492 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -57.04 -42.82 81.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.144 0.497 . . . . 0.0 110.176 175.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' 1302 ' ' VAL . 39.3 ttp180 -67.46 -40.29 85.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.869 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.28 90.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.978 0.418 . . . . 0.0 110.421 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -65.17 -44.51 88.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.205 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.611 HG21 ' SD ' ' A' 1288 ' ' MET . 14.4 p -66.64 -31.83 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.657 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' 1298 ' ' ARG . 77.1 t -65.37 -41.4 91.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.534 0.207 . . . . 0.0 111.247 177.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.0 p -65.55 -27.59 68.55 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.911 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1304 ' ' ASN . . . . . 0.722 ' HB2' HD23 ' A' 1349 ' ' LEU . 7.8 m120 -70.34 -42.17 72.25 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' 1301 ' ' VAL . 92.2 mt -59.94 -42.02 93.1 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.696 178.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -58.05 -46.78 84.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.608 0.242 . . . . 0.0 110.358 175.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -55.01 -48.42 67.5 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.619 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1308 ' ' ILE . . . . . 0.468 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -72.27 -37.12 57.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.395 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1309 ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 61.6 m -63.0 -49.6 74.03 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.886 0.374 . . . . 0.0 111.24 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1310 ' ' MET . . . . . 0.467 ' O ' ' HG3' ' A' 1314 ' ' LYS . 26.2 ptt? -67.28 -34.2 76.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.634 -177.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 50.1 m -69.19 -36.8 77.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.513 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 58.8 m -64.01 -38.68 91.97 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.551 0.691 . . . . 0.0 109.455 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.566 ' O ' ' HG ' ' A' 1317 ' ' LEU . 49.5 m -59.37 -50.42 74.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.308 175.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.607 ' HA ' HD12 ' A' 1317 ' ' LEU . 59.3 mttm -63.98 -35.29 80.2 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.272 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.567 HD22 ' HA ' ' A' 1339 ' ' ALA . 45.3 tp -63.52 -48.95 75.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.662 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1316 ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.06 -31.36 72.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' 1314 ' ' LYS . 96.2 mt -62.05 -38.03 87.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.618 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.51 -38.85 74.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.306 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.66 -35.59 81.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.06 0.457 . . . . 0.0 110.487 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1320 ' ' LYS . . . . . 0.723 ' HA ' HG21 ' A' 1209 ' ' VAL . 18.9 ttmm -55.43 -56.83 15.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.753 174.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.18 70.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.271 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.576 HD21 ' HA ' ' A' 1260 ' ' SER . 44.5 tp -76.84 -28.42 55.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.622 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 47.4 m -72.05 -30.28 65.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.815 0.341 . . . . 0.0 110.579 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 9.2 t -93.69 -20.97 19.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.075 0.464 . . . . 0.0 110.349 177.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 9.6 t0 -132.01 85.82 49.26 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.214 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -91.78 20.62 0.85 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.725 2.283 . . . . 0.0 111.55 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -108.28 -36.31 6.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.926 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.1 m -70.78 112.04 11.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.01 -34.16 71.52 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.872 2.381 . . . . 0.0 112.772 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -62.72 -25.71 68.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.121 0.486 . . . . 0.0 110.832 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.62 -32.42 47.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.083 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.2 mptm? -63.31 -48.76 76.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.108 0.48 . . . . 0.0 110.1 175.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 49.8 m -63.34 -40.59 97.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.713 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -64.73 -41.3 96.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1335 ' ' LEU . . . . . 0.662 HD11 ' HB3' ' A' 1256 ' ' LEU . 2.3 tm? -58.08 -52.33 65.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1336 ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -62.53 -35.83 80.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.133 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -68.39 -43.37 77.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.827 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.78 -39.78 91.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.435 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1339 ' ' ALA . . . . . 0.567 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -60.89 -40.73 94.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1340 ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' 1336 ' ' ALA . 34.5 mmt180 -68.52 -33.82 74.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.476 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -67.1 -42.16 85.07 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' 1338 ' ' ALA . 86.8 t -60.19 -51.4 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1343 ' ' THR . . . . . 0.499 ' HA ' HD12 ' A' 1346 ' ' ILE . 28.6 m -59.35 -41.14 88.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.841 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1344 ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' 1348 ' ' GLN . 22.2 t70 -58.85 -48.18 82.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.549 177.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 20.9 m -61.62 -36.5 80.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.633 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.636 ' O ' HG12 ' A' 1350 ' ' ILE . 89.1 mt -57.49 -51.2 72.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.923 174.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -58.36 -39.57 79.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.353 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1348 ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' 1344 ' ' ASP . 12.7 mm100 -66.12 -35.24 79.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.722 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.2 tm? -73.18 -45.04 58.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.636 HG12 ' O ' ' A' 1346 ' ' ILE . 44.0 mm -58.73 -48.73 85.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 91.0 m -57.68 -38.02 74.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.929 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 96.0 mmm -66.18 -29.19 69.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 110.815 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 21.6 m -89.58 -47.84 7.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.585 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 1.4 t -142.52 122.0 13.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -121.26 4.81 10.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.535 0.683 . . . . 0.0 109.445 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -99.09 -13.56 19.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.778 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.715 179.429 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 55.0 mt -85.51 74.88 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 173.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -145.06 146.13 29.72 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.964 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -85.76 31.54 0.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 123.189 2.593 . . . . 0.0 112.556 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 84.1 t80 -119.8 -59.43 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 177.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1205 ' ' THR . . . . . 0.835 ' HA ' ' HB2' ' A' 1268 ' ' ALA . 15.2 m -57.11 -52.65 64.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.194 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -75.88 -28.61 58.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.743 -176.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -74.96 -55.43 5.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.304 -168.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1208 ' ' ASP . . . . . 0.675 ' HA ' ' HB3' ' A' 1211 ' ' ASN . 1.6 m-20 -63.94 -22.72 67.05 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -174.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.53 ' O ' ' HG ' ' A' 1213 ' ' LEU . 45.4 t -68.54 -38.98 79.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.419 0.628 . . . . 0.0 109.308 176.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.49 -33.71 31.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.318 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1211 ' ' ASN . . . . . 0.675 ' HB3' ' HA ' ' A' 1208 ' ' ASP . 31.9 t30 -56.69 -41.94 78.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.158 175.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1212 ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' 1216 ' ' VAL . . . -66.74 -36.1 81.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.727 177.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1213 ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' 1209 ' ' VAL . 66.2 mt -62.74 -41.49 99.22 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 60.5 ttp85 -58.3 -40.45 82.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.068 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -65.28 -51.13 62.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.485 ' HA ' ' CE2' ' A' 1278 ' ' PHE . 73.5 t -58.88 -50.82 78.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.75 -46.24 90.33 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.78 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.17 -45.51 88.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.452 0.168 . . . . 0.0 110.921 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1219 ' ' ALA . . . . . 0.493 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -62.4 -33.44 74.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.012 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 56.4 m -66.54 -42.58 86.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.809 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -78.68 -26.66 44.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.872 0.368 . . . . 0.0 111.043 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -76.43 -42.61 43.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.359 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.541 HD11 ' HG2' ' A' 1283 ' ' GLU . 40.9 mt -110.53 -52.69 2.76 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1224 ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' 1224 ' ' LEU . 55.7 tp -88.36 25.77 1.59 Allowed 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 121.629 0.728 . . . . 0.0 110.963 -169.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 15.8 p -98.36 -65.78 0.94 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 19.2 t70 -149.01 -63.53 0.23 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.952 0.406 . . . . 0.0 110.692 -177.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 83.0 mt -78.29 108.19 11.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.063 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.29 160.18 32.47 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.552 176.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.427 ' HD2' HG12 ' A' 1286 ' ' VAL . 74.5 Cg_exo -51.0 145.41 24.95 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.049 2.499 . . . . 0.0 112.889 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.6 157.58 54.66 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.986 2.457 . . . . 0.0 112.493 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 20.2 m -73.28 92.25 1.77 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.291 0.567 . . . . 0.0 110.048 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 8.1 t -120.45 127.25 52.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.001 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 82.24 -159.18 38.89 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.406 -175.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 72.9 p -119.73 -178.64 3.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.04 0.42 . . . . 0.0 110.586 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -65.45 -23.77 67.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.604 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -62.17 -51.27 68.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.938 0.399 . . . . 0.0 110.401 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -62.61 -38.66 91.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.403 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.73 92.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.428 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1239 ' ' GLN . . . . . 0.5 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 36.3 tt0 -62.27 -51.88 65.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.755 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 49.4 m -61.09 -32.38 72.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -71.51 -41.07 69.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.92 -42.13 88.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.983 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -58.05 -45.29 87.27 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.28 -46.35 61.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.668 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1245 ' ' ALA . . . . . 0.772 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -64.01 -36.3 83.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.075 -176.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1246 ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -62.12 -53.43 55.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.153 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.51 72.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.253 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.71 -46.24 92.48 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.825 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1249 ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' 1278 ' ' PHE . 29.5 tp -74.98 -29.84 61.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.65 0.262 . . . . 0.0 110.644 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -59.22 -44.64 92.29 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.323 0.582 . . . . 0.0 109.74 173.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.467 ' O ' ' HB ' ' A' 1254 ' ' THR . 24.7 tm0? -71.48 -38.3 71.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.844 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1252 ' ' ALA . . . . . 0.737 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -60.53 -44.0 96.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.136 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1253 ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' 1257 ' ' VAL . . . -65.17 -39.12 92.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.869 0.366 . . . . 0.0 110.155 176.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1254 ' ' THR . . . . . 0.467 ' HB ' ' O ' ' A' 1251 ' ' GLN . 52.0 m -54.37 -41.25 68.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.884 175.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' 1251 ' ' GLN . 8.8 mm-40 -59.19 -45.34 91.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.558 ' HB3' HD21 ' A' 1335 ' ' LEU . 26.7 mt -64.73 -37.04 86.24 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 121.111 -0.235 . . . . 0.0 110.711 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1257 ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' 1253 ' ' ALA . 64.7 t -57.96 -49.87 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.855 0.36 . . . . 0.0 110.554 177.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -66.81 -43.91 82.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.297 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1259 ' ' ALA . . . . . 0.57 ' HB1' ' HA ' ' A' 1267 ' ' LEU . . . -59.65 -39.99 86.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.095 -176.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1260 ' ' SER . . . . . 0.459 ' HB3' HD13 ' A' 1335 ' ' LEU . 97.8 p -58.35 -34.06 70.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.115 0.484 . . . . 0.0 110.591 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -102.45 21.42 15.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.732 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -125.68 -99.2 1.17 Allowed Glycine 0 N--CA 1.436 -1.317 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 43.3 p -137.49 153.37 74.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 120.514 0.197 . . . . 0.0 110.988 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -59.07 -29.34 90.34 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.671 2.247 . . . . 0.0 111.643 174.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.34 -45.65 83.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.469 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.04 -43.28 83.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.453 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.57 ' HA ' ' HB1' ' A' 1259 ' ' ALA . 42.1 tp -56.14 -45.99 79.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.391 178.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1268 ' ' ALA . . . . . 0.835 ' HB2' ' HA ' ' A' 1205 ' ' THR . . . -61.11 -49.6 76.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -63.95 -36.75 85.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.905 0.384 . . . . 0.0 110.388 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.63 86.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1271 ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' 1268 ' ' ALA . 37.5 m -55.76 -43.46 76.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.691 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.57 -38.42 96.27 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.249 -176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -72.1 -43.77 64.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.621 0.248 . . . . 0.0 110.508 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1274 ' ' PHE . . . . . 0.737 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 83.8 t80 -55.76 -50.82 69.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.426 -176.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.72 -35.55 92.17 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.408 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.74 -48.94 57.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.682 0.277 . . . . 0.0 110.932 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -33.1 74.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.093 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' 1216 ' ' VAL . 72.5 t80 -59.64 -44.76 93.39 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.711 0.291 . . . . 0.0 110.265 175.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1279 ' ' SER . . . . . 0.557 ' O ' ' HG3' ' A' 1283 ' ' GLU . 47.1 m -58.27 -47.45 83.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.42 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 27.3 m -60.33 -44.51 95.42 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1281 ' ' PHE . . . . . 0.772 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 85.3 t80 -61.86 -45.72 92.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.979 178.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' 1286 ' ' VAL . 31.2 tp -66.29 -41.65 89.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.79 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1283 ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' 1279 ' ' SER . 50.3 mt-10 -58.37 -39.54 79.85 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.764 0.316 . . . . 0.0 110.593 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -70.25 -42.14 72.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.772 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1285 ' ' GLY . . . . . 0.604 ' O ' ' HG3' ' A' 1288 ' ' MET . . . -61.93 -49.65 73.46 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.661 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' 1282 ' ' LEU . 10.0 t -69.15 -24.44 28.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.156 0.503 . . . . 0.0 110.007 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1287 ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' 1291 ' ' GLN . 35.5 tt0 -65.94 -46.89 76.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.245 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.733 ' SD ' HG21 ' A' 1301 ' ' VAL . 3.8 ppp? -70.21 -28.82 65.59 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.81 73.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.113 0.482 . . . . 0.0 109.928 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -72.78 -28.44 67.07 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.964 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' 1287 ' ' GLU . 81.3 mm-40 -62.15 -44.96 95.46 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 175.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1292 ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -62.52 116.3 22.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.499 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1293 ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 5.8 Cg_exo -79.73 -32.52 1.53 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.16 2.573 . . . . 0.0 112.679 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 35.3 m -77.89 134.47 37.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.825 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -66.05 -41.04 91.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.378 -176.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.02 -35.71 81.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.608 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -73.88 -43.03 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.901 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.528 ' O ' HG23 ' A' 1302 ' ' VAL . 36.6 ttm180 -64.13 -52.92 56.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.285 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.82 67.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.372 -177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -64.74 -52.96 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.431 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.733 HG21 ' SD ' ' A' 1288 ' ' MET . 10.2 p -70.23 -29.12 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.167 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.552 ' HA ' HD12 ' A' 1305 ' ' LEU . 78.7 t -64.38 -31.36 53.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.161 0.505 . . . . 0.0 110.46 175.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 49.5 m -68.09 -37.34 81.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.253 175.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1304 ' ' ASN . . . . . 0.485 ' OD1' ' HA ' ' A' 1301 ' ' VAL . 9.9 m120 -62.94 -44.51 95.86 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.597 HD23 HD11 ' A' 1349 ' ' LEU . 96.0 mt -55.95 -51.3 68.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.322 -178.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -64.29 -38.93 92.8 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.44 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1307 ' ' GLY . . . . . 0.435 ' O ' ' HG3' ' A' 1310 ' ' MET . . . -57.6 -44.79 93.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.733 -178.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1308 ' ' ILE . . . . . 0.443 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -77.89 -36.54 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 122.506 -0.408 . . . . 0.0 110.363 178.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1309 ' ' SER . . . . . 0.424 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 56.3 m -62.22 -38.78 90.47 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.883 0.373 . . . . 0.0 111.21 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1310 ' ' MET . . . . . 0.79 ' O ' ' HD3' ' A' 1314 ' ' LYS . 0.0 OUTLIER -74.03 -36.19 64.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.021 178.413 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 70.7 m -61.19 -43.19 99.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.658 0.265 . . . . 0.0 110.983 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 9.9 p -69.0 -37.37 78.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.335 0.588 . . . . 0.0 110.324 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.414 ' O ' ' HG ' ' A' 1317 ' ' LEU . 42.1 t -60.89 -52.78 63.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.515 176.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.79 ' HD3' ' O ' ' A' 1310 ' ' MET . 3.6 mptp? -64.84 -29.85 70.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.947 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.653 HD22 ' HA ' ' A' 1339 ' ' ALA . 19.1 tp -62.48 -51.95 65.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 111.038 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.487 ' O ' ' HG3' ' A' 1320 ' ' LYS . 81.7 mt -60.88 -26.66 67.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.398 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' 1314 ' ' LYS . 96.8 mt -60.35 -35.26 75.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -71.28 -33.38 69.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.949 0.404 . . . . 0.0 110.242 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.95 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.692 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1320 ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' 1316 ' ' LEU . 41.3 mtpt -58.55 -54.04 51.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.04 177.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -67.0 -33.18 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.196 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.435 HD11 ' NZ ' ' A' 1332 ' ' LYS . 34.7 tp -70.15 -23.75 63.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.06 -177.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 50.5 m -78.14 -23.28 47.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.972 0.415 . . . . 0.0 110.178 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 35.7 m -83.01 -52.14 6.93 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.626 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1325 ' ' ASP . . . . . 0.402 ' HB3' ' OG ' ' A' 1328 ' ' SER . 0.5 OUTLIER -123.16 88.46 51.14 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.941 176.428 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -76.24 -15.48 18.08 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 123.069 2.513 . . . . 0.0 113.549 -171.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -91.37 2.33 56.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1328 ' ' SER . . . . . 0.402 ' OG ' ' HB3' ' A' 1325 ' ' ASP . 4.8 m -72.94 112.22 14.52 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.134 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -60.28 -53.15 3.2 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.461 2.774 . . . . 0.0 113.75 -174.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -70.93 -18.12 62.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.14 0.495 . . . . 0.0 110.909 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 15.2 tp -70.99 -25.27 62.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.764 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.435 ' NZ ' HD11 ' A' 1322 ' ' LEU . 4.9 mptp? -71.01 -50.89 29.19 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.079 173.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 5.1 p -64.44 -35.06 79.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.501 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.27 -44.06 97.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.877 0.37 . . . . 0.0 110.278 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1335 ' ' LEU . . . . . 0.558 HD21 ' HB3' ' A' 1256 ' ' LEU . 7.0 tt -66.19 -45.09 82.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.876 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -59.09 -41.64 88.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.989 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.75 78.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' 1342 ' ' VAL . . . -68.47 -41.23 80.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.777 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1339 ' ' ALA . . . . . 0.653 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -64.89 -35.49 81.31 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.165 0.507 . . . . 0.0 110.249 177.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -64.13 -41.7 97.11 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.88 175.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.47 96.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.673 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' 1338 ' ' ALA . 61.4 t -56.56 -50.09 74.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.853 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 39.5 m -58.82 -45.53 89.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.315 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -64.07 -38.68 91.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.476 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 73.8 m -68.73 -38.3 80.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.724 0.297 . . . . 0.0 110.962 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' 1342 ' ' VAL . 92.3 mt -59.15 -49.23 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 173.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -56.01 -45.22 79.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.755 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -55.93 -41.86 75.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.804 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.597 HD11 HD23 ' A' 1305 ' ' LEU . 0.5 OUTLIER -67.25 -39.71 86.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.563 HD11 ' HB2' ' A' 1246 ' ' ALA . 38.5 mm -71.19 -38.26 69.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.202 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 15.6 m -62.81 -30.54 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.195 0.521 . . . . 0.0 110.573 177.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 23.9 mmt -80.14 -46.04 17.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.139 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1353 ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 40.8 t -72.6 -53.85 10.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.148 0.499 . . . . 0.0 111.09 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 17.0 m -101.9 89.38 3.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.245 0.545 . . . . 0.0 110.087 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -88.07 107.93 18.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.482 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -92.28 -24.06 19.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.361 174.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.692 178.336 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 44.0 pt -118.06 176.99 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.54 0.209 . . . . 0.0 110.596 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1202 ' ' ASP . . . . . 0.487 ' OD2' ' HG3' ' A' 1207 ' ' ARG . 23.0 t70 -133.07 106.73 12.44 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.943 178.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1203 ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' 1202 ' ' ASP . 18.3 Cg_endo -60.7 -52.29 3.93 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.466 2.11 . . . . 0.0 111.21 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1204 ' ' PHE . . . . . 0.452 ' HD1' ' HD2' ' A' 1207 ' ' ARG . 41.3 t80 -176.55 75.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.168 173.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1205 ' ' THR . . . . . 0.479 ' HB ' ' OD1' ' A' 1202 ' ' ASP . 34.0 m -132.6 -62.28 0.83 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.659 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.691 ' O ' HG22 ' A' 1209 ' ' VAL . 79.9 mt-30 -63.46 -28.77 70.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.142 0.496 . . . . 0.0 109.798 175.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.487 ' HG3' ' OD2' ' A' 1202 ' ' ASP . 40.5 mtt180 -63.28 -18.48 63.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.358 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1208 ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' A' 1205 ' ' THR . 1.0 OUTLIER -62.96 -40.56 98.06 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.446 0.165 . . . . 0.0 111.253 177.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' 1206 ' ' GLN . 16.0 m -73.75 -30.16 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.955 0.407 . . . . 0.0 110.106 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -73.81 -44.47 55.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.555 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.36 -39.84 88.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.129 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.8 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.628 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1213 ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' 1209 ' ' VAL . 41.3 mt -63.07 -38.22 90.32 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.912 177.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -67.03 -41.12 87.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.455 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -55.96 -45.0 79.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.509 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.566 HG13 ' CE2' ' A' 1278 ' ' PHE . 47.8 t -70.16 -40.23 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.426 176.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.34 -45.72 92.6 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.12 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -65.56 -44.27 87.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.609 -0.348 . . . . 0.0 110.535 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1219 ' ' ALA . . . . . 0.482 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -63.34 -42.71 98.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.597 -177.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1220 ' ' SER . . . . . 0.458 ' HA ' HD23 ' A' 1224 ' ' LEU . 8.4 p -63.74 -37.62 88.06 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.211 -0.196 . . . . 0.0 111.458 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -78.63 -31.71 47.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.014 0.435 . . . . 0.0 111.576 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -71.96 -42.85 66.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.912 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.609 ' HB3' ' CG1' ' A' 1286 ' ' VAL . 48.8 mt -98.22 -59.78 1.68 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.592 -171.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1224 ' ' LEU . . . . . 0.529 HD12 HG13 ' A' 1302 ' ' VAL . 3.3 mm? -71.76 96.31 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.121 0.486 . . . . 0.0 109.875 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 5.9 p -151.01 176.55 11.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.687 -174.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -92.07 -41.93 10.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 4.5 tt -100.49 89.6 4.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 175.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 3.7 pp -110.67 144.04 29.43 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.775 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1229 ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -51.77 141.55 44.28 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.025 2.483 . . . . 0.0 112.23 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.09 63.55 6.07 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.971 2.448 . . . . 0.0 112.95 -176.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1231 ' ' SER . . . . . 0.447 ' O ' ' HA3' ' A' 1290 ' ' GLY . 17.4 p -78.78 99.97 6.92 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1232 ' ' THR . . . . . 0.804 HG23 ' HA ' ' A' 1291 ' ' GLN . 11.9 m -132.9 81.03 1.92 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.946 0.403 . . . . 0.0 111.472 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -89.81 -171.15 44.67 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.199 171.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 38.0 p -80.86 156.96 25.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.057 0.429 . . . . 0.0 110.111 177.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1235 ' ' PHE . . . . . 0.444 ' HA ' ' OE1' ' A' 1291 ' ' GLN . 45.2 p90 -59.04 -30.95 68.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.787 0.327 . . . . 0.0 111.112 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -72.22 -49.57 34.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.387 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.62 -35.77 81.79 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.92 0.391 . . . . 0.0 110.499 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -69.83 -47.82 61.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.863 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.8 -47.39 82.72 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.631 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 9.0 t -61.38 -36.85 81.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.958 0.408 . . . . 0.0 110.352 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -72.79 -46.66 52.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.553 0.692 . . . . 0.0 109.649 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1242 ' ' LEU . . . . . 0.441 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 48.8 tp -64.04 -41.67 97.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.082 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -64.77 -38.24 90.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.156 0.503 . . . . 0.0 110.035 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.71 -48.65 76.24 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.099 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.56 95.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.651 -177.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1246 ' ' ALA . . . . . 0.454 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -56.66 -51.77 67.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.926 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.2 75.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.522 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.69 -39.39 77.52 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.152 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.3 tp -73.39 -30.09 63.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.56 0.219 . . . . 0.0 110.651 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -56.46 -46.6 80.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.05 0.452 . . . . 0.0 110.094 174.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.556 ' O ' ' HG2' ' A' 1255 ' ' GLU . 51.3 tp60 -73.15 -29.64 63.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.412 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1252 ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -60.67 -45.03 95.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.865 0.364 . . . . 0.0 110.413 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.71 80.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.459 0.647 . . . . 0.0 109.905 174.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1254 ' ' THR . . . . . 0.513 ' HB ' ' O ' ' A' 1251 ' ' GLN . 43.6 m -58.89 -40.08 83.36 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.148 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' 1251 ' ' GLN . 57.2 mm-40 -60.57 -41.57 94.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.524 ' HB3' HD21 ' A' 1335 ' ' LEU . 34.3 mt -63.74 -37.02 85.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.61 0.243 . . . . 0.0 111.05 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 53.2 t -64.29 -46.21 93.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.04 0.447 . . . . 0.0 110.418 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -63.62 -33.99 76.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.299 0.571 . . . . 0.0 110.456 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -69.62 -30.37 68.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.078 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1260 ' ' SER . . . . . 0.412 ' HB3' ' HG3' ' A' 1332 ' ' LYS . 45.5 m -60.51 -36.57 78.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.163 0.506 . . . . 0.0 110.483 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -99.95 20.23 14.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.241 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.19 -97.63 1.54 Allowed Glycine 0 N--CA 1.439 -1.142 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 43.0 p -145.66 155.24 52.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.738 0.269 . . . . 0.0 110.897 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1264 ' ' PRO . . . . . 0.794 ' HA ' HD12 ' A' 1267 ' ' LEU . 9.3 Cg_endo -55.07 -34.99 89.32 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.008 2.472 . . . . 0.0 112.032 172.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -72.07 -33.31 67.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.709 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.11 -39.6 71.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' 1264 ' ' PRO . 35.1 mt -53.95 -48.37 70.33 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.591 172.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.69 67.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.386 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -63.45 -37.15 86.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 0.0 110.271 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.87 78.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.769 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1271 ' ' SER . . . . . 0.522 ' OG ' HG12 ' A' 1209 ' ' VAL . 21.0 m -64.98 -40.77 95.46 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.97 -38.06 95.51 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.077 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1273 ' ' ARG . . . . . 0.544 ' HE ' ' HA ' ' A' 1273 ' ' ARG . 0.3 OUTLIER -71.66 -50.86 26.63 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 177.547 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1274 ' ' PHE . . . . . 0.591 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 84.0 t80 -56.95 -51.3 69.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.401 -177.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.32 -44.05 98.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.152 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1276 ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' A' 1276 ' ' GLN . 6.7 tp60 -72.12 -39.65 68.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -176.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.61 -38.49 77.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.296 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.566 ' CE2' HG13 ' A' 1216 ' ' VAL . 63.8 t80 -55.16 -39.58 69.68 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.334 177.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 14.3 t -53.69 -49.86 67.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.973 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 31.7 m -63.78 -37.97 89.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.261 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1281 ' ' PHE . . . . . 0.454 ' HE2' HG21 ' A' 1308 ' ' ILE . 85.2 t80 -63.21 -50.62 69.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.92 177.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.482 HD23 ' HB1' ' A' 1219 ' ' ALA . 26.0 tp -65.24 -36.87 85.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 -176.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1283 ' ' GLU . . . . . 0.47 ' O ' HG22 ' A' 1286 ' ' VAL . 43.6 mt-10 -65.32 -27.63 68.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -76.06 -25.53 55.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.209 0.528 . . . . 0.0 110.428 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -66.5 -34.54 88.02 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.644 -0.707 . . . . 0.0 113.014 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.609 ' CG1' ' HB3' ' A' 1223 ' ' LEU . 34.2 m -72.48 -23.34 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.872 0.336 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.44 -36.41 84.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.539 ' O ' ' HG2' ' A' 1291 ' ' GLN . 68.0 mmm -72.18 -50.33 28.56 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.577 176.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1289 ' ' ALA . . . . . 0.402 ' HA ' HG11 ' A' 1301 ' ' VAL . . . -63.28 -33.61 75.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.254 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1290 ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' 1231 ' ' SER . . . -77.34 -22.7 69.94 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.963 -178.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.804 ' HA ' HG23 ' A' 1232 ' ' THR . 3.5 pt20 -89.8 0.03 57.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.078 0.466 . . . . 0.0 110.216 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1292 ' ' ALA . . . . . 0.45 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -93.25 111.42 51.86 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.827 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1293 ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.5 Cg_exo -74.49 -43.09 0.52 Allowed 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.212 2.608 . . . . 0.0 112.666 -176.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 9.4 m -72.98 129.18 37.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.107 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -61.14 -37.62 83.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.322 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -66.11 -44.41 84.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.006 0.431 . . . . 0.0 110.389 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.52 -41.23 93.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.156 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' 1302 ' ' VAL . 40.9 ttm180 -62.87 -43.49 98.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.321 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -62.97 -38.35 90.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.532 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -61.0 -48.64 80.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.283 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.402 HG11 ' HA ' ' A' 1289 ' ' ALA . 12.3 p -68.53 -32.74 56.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 120.682 0.277 . . . . 0.0 110.709 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.529 HG13 HD12 ' A' 1224 ' ' LEU . 42.9 t -67.82 -31.54 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.395 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 55.7 m -54.82 -40.99 70.13 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.723 0.297 . . . . 0.0 111.25 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1304 ' ' ASN . . . . . 0.804 ' HB2' HD23 ' A' 1349 ' ' LEU . 2.6 m-80 -73.57 -36.39 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' 1302 ' ' VAL . 97.4 mt -59.64 -48.2 82.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.313 178.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -62.03 -46.48 88.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.964 175.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.17 -49.46 59.52 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.335 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1308 ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' 1308 ' ' ILE . 0.0 OUTLIER -74.21 -35.48 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 110.464 -0.198 . . . . 0.0 110.464 -178.173 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1309 ' ' SER . . . . . 0.542 ' HA ' ' CZ ' ' A' 1278 ' ' PHE . 28.1 t -66.69 -39.29 88.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.055 0.455 . . . . 0.0 110.887 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1310 ' ' MET . . . . . 0.424 ' O ' ' HG3' ' A' 1314 ' ' LYS . 54.9 mtt -77.47 -39.89 44.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.119 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 64.3 m -65.3 -35.46 81.07 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.061 -0.255 . . . . 0.0 111.2 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 10.5 p -68.12 -38.14 81.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.138 0.494 . . . . 0.0 110.086 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.552 ' O ' ' HG ' ' A' 1317 ' ' LEU . 71.0 m -57.78 -50.6 72.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.149 173.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.51 ' HA ' HD12 ' A' 1317 ' ' LEU . 57.5 mttm -65.0 -31.97 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.043 -178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.31 -49.04 73.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.068 0.461 . . . . 0.0 110.608 176.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' 1320 ' ' LYS . 81.5 mt -66.23 -30.31 70.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' 1313 ' ' SER . 93.0 mt -61.18 -41.37 96.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 110.476 175.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -65.05 -36.4 84.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.322 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.88 82.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.959 178.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1320 ' ' LYS . . . . . 0.583 ' HG2' ' CG2' ' A' 1209 ' ' VAL . 5.7 mtpm? -57.33 -55.24 37.28 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.405 0.621 . . . . 0.0 110.071 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.47 87.6 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.163 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1322 ' ' LEU . . . . . . . . . . . . . 23.4 tp -70.17 -27.42 64.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.139 -177.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1323 ' ' SER . . . . . 0.495 ' HA ' ' HB3' ' A' 1264 ' ' PRO . 50.3 m -73.77 -28.75 61.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.863 0.363 . . . . 0.0 110.578 176.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 34.7 p -88.21 -30.52 19.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 110.97 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 23.2 t0 -134.28 86.06 37.03 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.941 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -87.77 10.72 3.38 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 122.592 2.194 . . . . 0.0 112.491 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -103.9 -5.11 22.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.128 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 67.3 m -85.68 113.41 51.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.057 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.96 -43.08 16.78 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.784 2.323 . . . . 0.0 112.631 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 6.1 t30 -64.49 -30.63 71.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.008 0.432 . . . . 0.0 110.637 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1331 ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' 1331 ' ' LEU . 12.1 tp -66.59 -33.88 76.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.55 -178.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.412 ' HG3' ' HB3' ' A' 1260 ' ' SER . 2.4 mptm? -65.14 -46.22 81.79 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.113 0.482 . . . . 0.0 110.298 173.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 19.2 m -66.13 -37.08 84.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.09 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -64.71 -45.36 86.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1335 ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.0 tt -60.56 -44.09 96.54 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.07 77.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.029 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -70.24 -35.3 73.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 110.783 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' 1342 ' ' VAL . . . -72.23 -40.42 67.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.469 176.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -61.83 -36.97 82.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.1 0.476 . . . . 0.0 110.461 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -58.68 -46.39 87.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.942 173.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.4 98.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.836 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' 1346 ' ' ILE . 85.0 t -61.87 -53.02 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.515 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1343 ' ' THR . . . . . 0.503 ' HA ' HD12 ' A' 1346 ' ' ILE . 27.4 m -61.86 -38.84 89.75 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.046 0.45 . . . . 0.0 110.688 -177.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.93 -50.25 74.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.825 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 54.0 m -68.35 -29.73 68.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.387 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.608 ' O ' HG12 ' A' 1350 ' ' ILE . 95.1 mt -58.73 -54.83 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.094 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 174.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -68.03 -38.75 82.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.846 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -57.03 -37.95 72.47 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.037 0.446 . . . . 0.0 110.644 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -67.97 -46.78 70.43 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.387 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' 1346 ' ' ILE . 40.9 mm -61.08 -44.66 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.295 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 87.4 m -49.61 -50.31 43.26 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.642 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 18.2 ptp -80.54 -27.37 37.6 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.411 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 98.7 m -67.26 -49.56 63.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.536 0.208 . . . . 0.0 111.538 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1354 ' ' THR . . . . . 0.401 HG22 ' O ' ' A' 1350 ' ' ILE . 13.2 t -79.48 127.73 32.48 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 49.3 tt0 64.59 -89.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.576 -171.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 4.9 pt20 174.49 170.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.847 173.788 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 5.7 tp -156.06 -54.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.583 0.192 . . . . 0.0 111.052 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1202 ' ' ASP . . . . . 0.492 ' HA ' ' HD3' ' A' 1203 ' ' PRO . 21.8 m-20 -128.79 142.27 44.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 120.645 0.26 . . . . 0.0 110.742 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1203 ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' 1202 ' ' ASP . 8.3 Cg_exo -72.51 115.9 4.51 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.793 2.328 . . . . 0.0 111.624 176.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 44.5 p90 -67.02 167.26 12.13 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1205 ' ' THR . . . . . . . . . . . . . 20.3 m 83.22 -22.46 0.24 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.449 0.7 . . . . 0.0 110.112 -174.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -113.87 -42.9 3.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.1 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -75.43 -17.93 60.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.587 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.41 -42.22 66.79 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.806 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 33.1 m -63.7 -28.82 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.034 0.445 . . . . 0.0 111.042 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -82.91 -45.02 14.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.675 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -60.94 -33.06 72.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.11 98.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.342 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1213 ' ' LEU . . . . . 0.553 HD11 ' HD2' ' A' 1320 ' ' LYS . 42.7 mt -66.55 -32.49 73.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 178.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -64.89 -48.59 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.982 175.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -59.23 -47.96 83.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.447 HG13 ' CE2' ' A' 1278 ' ' PHE . 97.2 t -62.0 -36.88 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.015 0.436 . . . . 0.0 110.147 176.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.75 -45.49 94.24 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.561 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -55.21 -49.91 70.74 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.15 0.5 . . . . 0.0 110.32 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1219 ' ' ALA . . . . . 0.78 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -64.2 -40.58 96.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.916 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1220 ' ' SER . . . . . 0.559 ' O ' ' HB2' ' A' 1224 ' ' LEU . 50.0 m -67.17 -32.21 73.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.929 0.395 . . . . 0.0 111.03 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 84.6 tttt -76.75 -43.85 35.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.889 0.376 . . . . 0.0 110.814 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -69.03 -53.29 21.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.157 0.503 . . . . 0.0 111.559 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.777 ' HB3' HG21 ' A' 1286 ' ' VAL . 56.5 mt -91.24 -42.79 10.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.746 -165.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1224 ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' 1220 ' ' SER . 3.9 mm? -78.22 68.8 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.561 0.696 . . . . 0.0 110.632 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 59.3 p -166.59 -167.6 1.02 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.926 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.99 89.48 4.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.312 0.577 . . . . 0.0 109.747 175.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 56.8 tp -147.64 114.97 6.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.088 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1228 ' ' LEU . . . . . 0.673 ' HB2' ' HA2' ' A' 1290 ' ' GLY . 3.7 pp -141.09 134.42 14.61 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.124 176.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.984 ' HD2' ' HA3' ' A' 1290 ' ' GLY . 50.5 Cg_exo -57.53 109.88 0.54 Allowed 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.599 2.2 . . . . 0.0 111.04 170.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -88.22 18.27 1.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.839 2.359 . . . . 0.0 113.781 -170.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 4.4 t -164.22 166.19 21.27 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.346 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 69.0 p 55.58 -165.84 0.11 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.024 0.93 . . . . 0.0 112.58 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1233 ' ' GLY . . . . . 0.456 ' HA3' ' NE2' ' A' 1291 ' ' GLN . . . 91.58 122.75 2.86 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.746 178.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 24.2 p -93.19 6.19 48.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.884 0.373 . . . . 0.0 110.598 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 87.4 t80 69.24 -58.1 0.51 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.567 -177.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -62.53 -33.94 75.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.624 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.89 -38.56 79.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.168 0.508 . . . . 0.0 110.29 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.59 76.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.066 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -62.93 -42.72 99.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.661 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 22.6 m -58.1 -36.28 72.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.195 0.522 . . . . 0.0 110.628 176.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -67.29 -36.15 80.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.316 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1242 ' ' LEU . . . . . 0.584 HD22 ' HB1' ' A' 1284 ' ' ALA . 3.7 mm? -60.29 -36.33 77.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.097 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -65.69 -47.41 75.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.99 0.424 . . . . 0.0 110.583 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.46 -44.37 78.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.774 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1245 ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -67.55 -36.96 81.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.59 -177.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.19 95.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.208 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.17 86.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.743 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -64.25 -49.47 65.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.082 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1249 ' ' LEU . . . . . 0.447 HD12 ' HB3' ' A' 1252 ' ' ALA . 34.4 tp -70.68 -31.32 68.17 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.827 -0.22 . . . . 0.0 110.818 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -52.71 -51.29 61.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.324 0.583 . . . . 0.0 109.726 173.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.473 ' O ' ' HG3' ' A' 1255 ' ' GLU . 52.1 tt0 -69.51 -36.4 76.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.766 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1252 ' ' ALA . . . . . 0.681 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -57.76 -47.53 82.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.969 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1253 ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' 1257 ' ' VAL . . . -64.98 -40.26 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 0.0 110.223 175.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.4 m -55.59 -40.75 72.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.161 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' 1251 ' ' GLN . 36.0 mt-10 -67.64 -30.25 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.297 -178.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' 1256 ' ' LEU . 9.4 mt -70.1 -37.21 75.32 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.658 0.266 . . . . 0.0 110.306 173.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1257 ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' 1253 ' ' ALA . 21.9 t -61.99 -56.98 14.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.765 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -65.17 -30.98 71.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.337 -176.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.53 69.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.905 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1260 ' ' SER . . . . . 0.559 ' HB2' ' HG3' ' A' 1332 ' ' LYS . 95.9 p -65.26 -27.53 68.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.874 0.368 . . . . 0.0 111.284 -176.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -101.17 11.91 38.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -119.92 -69.39 0.31 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.327 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1263 ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 2.0 t -164.95 142.85 5.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.825 0.345 . . . . 0.0 111.082 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1264 ' ' PRO . . . . . 0.685 ' HA ' HD12 ' A' 1267 ' ' LEU . 54.2 Cg_exo -55.51 -24.66 45.38 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.203 2.602 . . . . 0.0 112.26 175.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -69.49 -30.6 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.458 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 26.1 t0 -80.42 -31.13 37.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.76 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' 1264 ' ' PRO . 79.2 mt -57.2 -35.71 69.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.35 172.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1268 ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' 1271 ' ' SER . . . -66.69 -48.57 68.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.624 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -57.92 -45.36 86.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.207 176.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.63 -35.53 80.83 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.137 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1271 ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' 1268 ' ' ALA . 36.0 m -57.39 -49.74 75.21 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.981 175.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -66.67 -41.78 93.69 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.331 -0.937 . . . . 0.0 111.656 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1273 ' ' ARG . . . . . 0.436 ' HG2' ' OE2' ' A' 1255 ' ' GLU . 15.7 tpp180 -59.83 -52.41 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.33 . . . . 0.0 111.021 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1274 ' ' PHE . . . . . 0.681 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 74.3 t80 -58.24 -51.33 70.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.235 -176.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.5 -34.66 90.54 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.773 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.15 -52.34 19.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.778 0.323 . . . . 0.0 110.761 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -32.07 72.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.099 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.447 ' CE2' HG13 ' A' 1216 ' ' VAL . 76.7 t80 -60.63 -42.21 96.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.725 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 50.2 m -58.47 -40.41 82.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.835 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 41.6 m -69.1 -41.3 77.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1281 ' ' PHE . . . . . 0.481 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 90.7 t80 -65.25 -45.86 82.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.192 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.78 HD23 ' HB1' ' A' 1219 ' ' ALA . 27.4 tp -63.44 -42.38 98.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.263 -175.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1283 ' ' GLU . . . . . 0.496 ' HG2' HD11 ' A' 1223 ' ' LEU . 43.2 mt-10 -61.82 -33.37 74.02 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.756 0.312 . . . . 0.0 111.03 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1284 ' ' ALA . . . . . 0.584 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -63.94 -41.57 97.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -64.91 -37.26 94.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.233 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.777 HG21 ' HB3' ' A' 1223 ' ' LEU . 56.4 t -65.61 -33.24 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.595 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1287 ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' 1291 ' ' GLN . 6.3 tp10 -58.08 -46.33 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.435 ' CE ' ' HB3' ' A' 1353 ' ' CYS . 57.1 mtp -64.19 -42.65 96.56 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.658 177.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -57.56 -33.4 68.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.32 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1290 ' ' GLY . . . . . 0.984 ' HA3' ' HD2' ' A' 1229 ' ' PRO . . . -76.85 -29.1 57.83 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.174 177.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' 1287 ' ' GLU . 15.4 mm100 -76.03 -16.42 59.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.763 0.316 . . . . 0.0 110.824 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1292 ' ' ALA . . . . . 0.469 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -60.92 136.02 93.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1293 ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 32.1 Cg_exo -58.89 -51.4 6.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.939 2.426 . . . . 0.0 112.705 -177.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 40.3 t -106.56 153.59 22.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -60.95 -28.23 68.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.972 174.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -69.14 -29.74 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.243 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1297 ' ' ASP . . . . . 0.407 ' HB2' ' HB1' ' A' 1292 ' ' ALA . 65.9 m-20 -80.19 -35.83 35.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.542 175.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' 1302 ' ' VAL . 38.5 ttp180 -54.46 -50.81 66.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.101 173.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.02 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.254 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -63.15 -45.42 91.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.729 0.299 . . . . 0.0 110.471 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.43 ' O ' ' HG ' ' A' 1305 ' ' LEU . 21.4 t -68.58 -40.74 82.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 110.414 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.538 ' HA ' HD12 ' A' 1305 ' ' LEU . 98.3 t -67.48 -35.07 72.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.737 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 6.1 p -69.38 -29.31 67.05 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.151 -0.343 . . . . 0.0 110.954 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -67.04 -44.14 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 172.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' 1302 ' ' VAL . 93.8 mt -59.4 -36.28 75.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -55.11 -42.51 73.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.774 -0.193 . . . . 0.0 111.083 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -58.39 -43.88 95.51 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.511 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.67 -36.28 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 122.685 -0.303 . . . . 0.0 110.506 -178.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 50.5 m -63.27 -51.35 66.48 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.761 0.315 . . . . 0.0 110.987 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1310 ' ' MET . . . . . 0.578 ' HB3' ' HE2' ' A' 1314 ' ' LYS . 44.1 mtt -60.46 -45.47 93.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.8 m -60.49 -37.15 80.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 63.9 m -61.99 -45.05 95.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.528 0.68 . . . . 0.0 110.157 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.502 ' O ' ' HG ' ' A' 1317 ' ' LEU . 43.4 t -59.26 -52.74 64.37 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.51 176.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.578 ' HE2' ' HB3' ' A' 1310 ' ' MET . 56.8 mttm -65.55 -30.91 71.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.624 -175.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' 1339 ' ' ALA . 27.8 tp -64.84 -47.86 76.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.939 0.4 . . . . 0.0 110.392 174.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.66 ' O ' ' HG3' ' A' 1320 ' ' LYS . 77.5 mt -60.18 -35.32 75.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.636 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' 1313 ' ' SER . 93.3 mt -59.71 -40.5 88.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.729 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -68.77 -36.97 78.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.22 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.07 98.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.616 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1320 ' ' LYS . . . . . 0.806 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 44.6 mtpt -57.41 -50.54 72.67 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.236 0.541 . . . . 0.0 110.338 176.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.98 92.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.916 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.52 HD11 ' HE2' ' A' 1332 ' ' LYS . 26.7 tp -73.44 -32.99 64.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.225 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 43.6 m -71.19 -14.37 62.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.024 0.44 . . . . 0.0 110.659 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 9.5 p -115.83 2.2 13.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 30.4 t70 -155.54 63.91 3.8 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.342 0.591 . . . . 0.0 109.406 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -84.94 -3.85 9.73 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.892 2.395 . . . . 0.0 113.912 -169.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -91.33 3.23 55.4 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.931 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.6 m -98.83 106.35 36.85 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.715 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1329 ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 23.3 Cg_exo -64.37 -30.82 62.98 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.066 2.511 . . . . 0.0 112.375 -176.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -70.73 -27.51 64.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.776 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1331 ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' 1322 ' ' LEU . 17.1 tp -72.37 -27.77 62.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.126 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.559 ' HG3' ' HB2' ' A' 1260 ' ' SER . 1.1 mptm? -65.35 -44.91 86.2 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 171.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 14.3 m -58.55 -45.49 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.585 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -63.05 -45.36 92.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.031 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.14 -44.18 95.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.17 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.91 86.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.86 74.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.71 -42.61 90.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.261 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1339 ' ' ALA . . . . . 0.513 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -65.05 -34.94 79.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.743 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -60.66 -43.08 98.06 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.793 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.11 -39.66 94.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.933 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' 1346 ' ' ILE . 72.6 t -65.56 -52.74 47.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.559 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1343 ' ' THR . . . . . 0.484 ' HA ' HD12 ' A' 1346 ' ' ILE . 19.7 m -60.75 -40.77 93.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.722 -177.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.62 -40.2 96.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.58 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.2 m -71.65 -31.09 66.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.28 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' 1342 ' ' VAL . 81.8 mt -60.7 -53.43 49.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 121.254 0.55 . . . . 0.0 109.779 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -66.72 -39.43 87.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.635 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -56.83 -43.74 81.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.33 -47.86 82.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.479 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.464 HD12 ' HB3' ' A' 1242 ' ' LEU . 35.3 mm -65.16 -48.55 83.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.003 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 36.1 m -56.28 -37.51 69.93 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.914 0.387 . . . . 0.0 111.252 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.1 tpt -79.94 -48.03 14.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.287 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1353 ' ' CYS . . . . . 0.435 ' HB3' ' CE ' ' A' 1288 ' ' MET . 73.1 m -73.1 -29.65 63.08 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 25.6 m -72.11 -14.79 61.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.789 0.804 . . . . 0.0 110.095 177.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -104.28 10.09 35.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.855 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -80.8 80.88 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.277 0.56 . . . . 0.0 109.989 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.464 -177.336 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 42.6 mm -76.43 -17.08 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.134 0.492 . . . . 0.0 110.346 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1202 ' ' ASP . . . . . 0.433 ' HB3' ' HD3' ' A' 1207 ' ' ARG . 11.0 m-20 -77.8 111.37 17.36 Favored Pre-proline 0 C--O 1.234 0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.06 175.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1203 ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' 1202 ' ' ASP . 11.2 Cg_exo -70.85 145.5 51.02 Favored 'Trans proline' 0 C--O 1.239 0.574 0 C-N-CA 122.861 2.374 . . . . 0.0 112.239 -176.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 2.9 p90 -72.9 69.67 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.951 0.881 . . . . 0.0 110.688 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1205 ' ' THR . . . . . . . . . . . . . 33.7 m -156.56 -47.51 0.07 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.509 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.656 ' O ' HG22 ' A' 1209 ' ' VAL . 78.9 mt-30 -81.46 -28.46 34.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.38 176.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.433 ' HD3' ' HB3' ' A' 1202 ' ' ASP . 22.8 mmm180 -60.83 -26.44 67.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.725 -179.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.23 -33.94 77.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' 1206 ' ' GLN . 18.6 m -75.75 -29.67 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.765 -178.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.37 -40.43 21.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.686 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.05 -37.11 86.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.306 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.19 79.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.486 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1213 ' ' LEU . . . . . 0.498 HD11 ' HE2' ' A' 1320 ' ' LYS . 16.0 mt -67.23 -37.7 84.0 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.923 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -62.34 -44.89 95.43 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -58.45 -55.48 34.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.085 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.504 HG13 ' CE2' ' A' 1278 ' ' PHE . 62.0 t -65.7 -47.77 84.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.388 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.58 -48.54 72.0 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.182 -0.533 . . . . 0.0 113.055 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1218 ' ' ASP . . . . . 0.599 ' O ' ' HG2' ' A' 1222 ' ' ARG . 32.6 t70 -69.29 -33.98 74.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.935 0.368 . . . . 0.0 110.516 -177.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1219 ' ' ALA . . . . . 0.425 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -62.84 -44.1 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 177.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1220 ' ' SER . . . . . 0.552 ' O ' HD23 ' A' 1224 ' ' LEU . 27.4 m -63.69 -25.6 68.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.995 0.426 . . . . 0.0 110.568 178.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1221 ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' 1218 ' ' ASP . 24.6 mtpp -78.8 -56.3 4.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.029 176.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1222 ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' 1218 ' ' ASP . 24.7 mmt180 -65.38 -48.45 72.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.235 0.54 . . . . 0.0 111.619 -175.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.689 ' HB3' HG21 ' A' 1286 ' ' VAL . 88.4 mt -79.69 4.85 14.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.329 -0.85 . . . . 0.0 113.289 -163.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1224 ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' 1220 ' ' SER . 0.9 OUTLIER -59.22 -38.87 80.99 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 167.124 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 18.7 m 58.82 99.45 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 114.688 -1.142 . . . . 0.0 112.723 171.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.52 -19.29 63.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.685 175.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 63.8 tp -122.08 106.55 11.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.845 176.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1228 ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' 1229 ' ' PRO . 93.8 mt -78.56 142.36 61.84 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.791 178.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.48 ' HA ' ' HD3' ' A' 1230 ' ' PRO . 24.4 Cg_exo -63.86 109.11 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.717 2.278 . . . . 0.0 110.763 173.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1230 ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 25.1 Cg_exo -62.39 90.08 0.12 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.094 2.529 . . . . 0.0 113.566 -170.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1231 ' ' SER . . . . . 0.645 ' HA ' ' HA ' ' A' 1291 ' ' GLN . 39.5 m 46.04 55.7 6.86 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.908 0.755 . . . . 0.0 111.702 176.101 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 18.8 m -85.97 88.14 7.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.571 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 104.94 -142.32 15.46 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1234 ' ' THR . . . . . 0.401 ' H ' ' HB3' ' A' 1237 ' ' GLU . 19.5 p -142.7 175.33 9.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.282 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -70.23 -29.09 65.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -70.56 -39.02 74.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.047 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1237 ' ' GLU . . . . . 0.401 ' HB3' ' H ' ' A' 1234 ' ' THR . 11.1 tp10 -62.72 -47.04 85.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.985 176.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -70.02 -21.34 63.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.208 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1239 ' ' GLN . . . . . 0.405 ' CD ' HG23 ' A' 1354 ' ' THR . 49.6 tt0 -62.18 -45.31 93.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.719 -0.218 . . . . 0.0 110.813 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 7.2 m -60.92 -31.9 71.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.458 0.646 . . . . 0.0 110.298 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -80.14 -47.97 13.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.068 -175.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1242 ' ' LEU . . . . . 0.5 ' HB3' HD12 ' A' 1350 ' ' ILE . 3.5 mm? -63.65 -32.77 74.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.185 177.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -57.98 -50.8 72.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.824 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -66.09 -44.18 85.15 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.714 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1245 ' ' ALA . . . . . 0.501 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -61.53 -46.18 91.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.855 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1246 ' ' ALA . . . . . 0.561 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -62.96 -52.01 64.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.036 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.53 81.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.195 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.17 -43.25 95.76 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.25 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 28.8 tp -69.66 -31.48 69.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.748 0.309 . . . . 0.0 110.663 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -61.85 -43.3 99.12 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.029 0.443 . . . . 0.0 110.513 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -71.95 -35.08 69.49 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1252 ' ' ALA . . . . . 0.82 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -60.6 -41.27 94.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.927 177.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1253 ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' 1257 ' ' VAL . . . -65.81 -38.69 89.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.18 0.514 . . . . 0.0 109.882 174.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.1 m -62.13 -35.12 77.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.746 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' 1252 ' ' ALA . 5.1 mm-40 -54.01 -48.64 70.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.7 175.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.835 ' HB3' HD21 ' A' 1335 ' ' LEU . 59.4 mt -64.3 -40.63 96.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.786 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1257 ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' 1253 ' ' ALA . 92.1 t -59.87 -50.79 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 120.768 0.318 . . . . 0.0 111.796 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -68.37 -26.75 65.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.179 0.514 . . . . 0.0 110.685 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -79.62 -24.61 41.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.705 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1260 ' ' SER . . . . . 0.511 ' O ' HD21 ' A' 1322 ' ' LEU . 48.1 m -50.73 -25.24 4.11 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -172.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 70.4 mtt-85 -62.05 -27.88 69.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.89 0.376 . . . . 0.0 110.349 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 120.99 90.18 1.12 Allowed Glycine 0 CA--C 1.499 -0.909 0 CA-C-N 115.817 -0.628 . . . . 0.0 113.435 171.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1263 ' ' THR . . . . . 0.528 HG23 ' HB2' ' A' 1266 ' ' ASP . 0.1 OUTLIER -153.77 119.05 2.78 Favored Pre-proline 0 N--CA 1.442 -0.851 0 CA-C-N 114.626 -0.787 . . . . 0.0 109.094 175.837 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1264 ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' 1263 ' ' THR . 31.2 Cg_exo -59.02 -45.04 30.42 Favored 'Trans proline' 0 CA--C 1.522 -0.091 0 C-N-CA 123.207 2.605 . . . . 0.0 112.874 -171.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -68.55 -33.02 73.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.079 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1266 ' ' ASP . . . . . 0.528 ' HB2' HG23 ' A' 1263 ' ' THR . 5.7 m-20 -72.64 -45.96 56.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.976 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 44.9 mt -65.83 -33.08 75.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.06 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.52 80.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.097 0.475 . . . . 0.0 110.713 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 36.8 ttp-105 -65.65 -42.22 91.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.324 0.583 . . . . 0.0 109.788 176.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.11 96.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.787 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 1.5 p -62.87 -40.31 97.11 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.791 0.329 . . . . 0.0 111.176 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -72.1 -34.41 61.56 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.962 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -69.47 -50.85 41.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.118 0.485 . . . . 0.0 110.363 176.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1274 ' ' PHE . . . . . 0.82 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 59.3 t80 -60.21 -48.8 80.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.424 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -65.94 -30.13 76.44 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.765 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -77.37 -38.41 50.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.827 0.346 . . . . 0.0 111.233 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.33 -32.66 43.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.262 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.504 ' CE2' HG13 ' A' 1216 ' ' VAL . 71.8 t80 -58.59 -48.16 81.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.479 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1279 ' ' SER . . . . . 0.517 ' O ' ' HG3' ' A' 1283 ' ' GLU . 39.0 p -57.01 -47.41 80.92 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.51 -176.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 23.3 m -60.32 -40.91 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1281 ' ' PHE . . . . . 0.501 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 89.4 t80 -61.42 -48.02 83.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.601 178.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' 1286 ' ' VAL . 23.0 tp -70.5 -40.34 73.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.096 -176.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1283 ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' 1279 ' ' SER . 58.9 mt-10 -57.25 -47.7 80.73 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.047 0.451 . . . . 0.0 110.407 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -67.96 -32.89 73.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.016 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.03 -35.32 90.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.838 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' 1223 ' ' LEU . 43.5 t -67.03 -37.64 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 177.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -63.5 -42.8 98.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.719 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 3.6 ppp? -74.18 -26.11 60.09 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.777 178.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -69.77 -28.88 66.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.021 0.438 . . . . 0.0 109.998 174.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -77.0 -16.89 80.38 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.173 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.719 ' HG2' ' HA ' ' A' 1288 ' ' MET . 74.2 mm-40 -63.61 -31.48 72.65 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -76.77 116.74 59.51 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.482 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.7 7.89 4.93 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.821 2.347 . . . . 0.0 112.116 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 2.3 p -130.13 146.09 51.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.344 -177.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1295 ' ' GLN . . . . . 0.441 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 43.2 mt-30 -89.42 -15.36 33.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -168.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.88 -35.56 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 173.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.8 -43.46 83.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.477 170.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' 1302 ' ' VAL . 69.3 ttt180 -53.42 -56.39 17.24 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.875 177.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.62 72.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.543 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -70.09 -35.46 74.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -176.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.465 HG21 ' SD ' ' A' 1288 ' ' MET . 14.3 p -80.89 -31.3 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.369 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' 1298 ' ' ARG . 73.9 t -63.59 -29.83 48.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.833 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 17.2 m -52.75 -47.55 67.36 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.746 174.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1304 ' ' ASN . . . . . 0.596 ' HB2' HD23 ' A' 1349 ' ' LEU . 17.1 m-80 -67.58 -40.17 84.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.922 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' 1302 ' ' VAL . 96.2 mt -60.26 -48.77 80.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -59.76 -48.19 82.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.564 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.25 -53.3 35.3 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.519 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1308 ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' A' 1345 ' ' SER . 0.0 OUTLIER -68.9 -39.79 80.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.763 -177.469 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1309 ' ' SER . . . . . 0.411 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 47.2 m -64.15 -46.56 83.56 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.732 0.301 . . . . 0.0 111.194 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1310 ' ' MET . . . . . 0.5 ' O ' ' HG3' ' A' 1314 ' ' LYS . 45.8 mtt -66.94 -46.33 75.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 69.5 m -61.12 -36.2 79.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.517 0.199 . . . . 0.0 110.995 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 66.0 m -66.18 -40.55 90.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.333 0.587 . . . . 0.0 110.103 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.543 ' O ' ' HG ' ' A' 1317 ' ' LEU . 65.9 m -61.11 -48.42 81.73 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.363 175.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' 1310 ' ' MET . 61.2 mttm -61.86 -34.59 76.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.739 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.418 ' HG ' HD13 ' A' 1256 ' ' LEU . 49.0 tp -64.23 -45.8 86.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.853 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' 1320 ' ' LYS . 83.5 mt -69.4 -33.89 73.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.238 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' 1313 ' ' SER . 97.7 mt -60.71 -41.7 95.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 110.173 176.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.72 82.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.53 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.6 98.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.471 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1320 ' ' LYS . . . . . 0.553 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 8.0 mtmp? -61.9 -47.8 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.24 0.543 . . . . 0.0 110.425 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1321 ' ' ALA . . . . . 0.439 ' C ' HD21 ' A' 1331 ' ' LEU . . . -60.68 -31.37 70.62 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.693 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.511 HD21 ' O ' ' A' 1260 ' ' SER . 34.8 tp -82.26 -32.58 29.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.994 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 23.5 t -67.62 -29.05 68.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.159 0.504 . . . . 0.0 109.793 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 6.3 p -90.01 -40.94 12.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.987 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -122.59 83.07 47.89 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.765 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1326 ' ' PRO . . . . . 0.435 ' HA ' HD12 ' A' 1322 ' ' LEU . 76.1 Cg_endo -88.69 14.27 2.32 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 122.528 2.152 . . . . 0.0 112.635 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -104.61 -11.56 16.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1328 ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 2.8 p -84.51 118.74 71.81 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 121.123 0.487 . . . . 0.0 111.197 -177.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1329 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 1328 ' ' SER . 36.4 Cg_exo -60.63 -41.53 46.69 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.111 2.541 . . . . 0.0 112.673 -175.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -69.5 -24.62 63.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.015 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1331 ' ' LEU . . . . . 0.439 HD21 ' C ' ' A' 1321 ' ' ALA . 12.0 tp -71.27 -35.53 71.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.18 -178.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.7 mptm? -55.34 -57.1 13.23 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.545 0.688 . . . . 0.0 110.198 173.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 26.2 m -71.18 -26.96 63.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.744 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -64.44 -43.15 95.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.183 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1335 ' ' LEU . . . . . 0.835 HD21 ' HB3' ' A' 1256 ' ' LEU . 7.0 tt -67.15 -46.38 74.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.766 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.17 76.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.368 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -71.46 -36.85 71.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' 1342 ' ' VAL . . . -66.13 -40.81 90.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.674 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1339 ' ' ALA . . . . . 0.406 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -64.79 -40.0 94.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.509 177.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -58.8 -39.05 79.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.136 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.29 85.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.624 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' 1346 ' ' ILE . 90.7 t -59.03 -52.36 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.78 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 83.3 m -56.28 -41.01 75.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 110.638 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.12 -44.76 95.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.106 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1345 ' ' SER . . . . . 0.44 ' HB2' ' HB ' ' A' 1308 ' ' ILE . 3.9 p -70.62 -31.75 68.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.395 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' 1342 ' ' VAL . 80.2 mt -59.44 -48.63 86.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.081 0.467 . . . . 0.0 109.751 174.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -58.26 -41.52 84.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.967 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -64.99 -37.58 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.496 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.596 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -67.39 -45.46 76.17 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.671 HG22 ' HB2' ' A' 1355 ' ' GLN . 42.8 mm -63.88 -41.89 94.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.397 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1351 ' ' THR . . . . . 0.729 ' HA ' ' HB3' ' A' 1355 ' ' GLN . 41.3 m -62.73 -39.1 93.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.522 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.0 tpt -63.12 -37.3 86.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.963 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 23.8 t -60.57 -70.01 0.2 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.187 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1354 ' ' THR . . . . . 0.405 HG23 ' CD ' ' A' 1239 ' ' GLN . 9.1 t -177.09 32.51 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.356 0.598 . . . . 0.0 110.956 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1355 ' ' GLN . . . . . 0.729 ' HB3' ' HA ' ' A' 1351 ' ' THR . 7.3 tp60 -84.43 106.76 16.26 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 177.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -123.74 144.06 49.9 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.711 -175.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.733 178.721 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 41.6 mm -77.91 74.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1202 ' ' ASP . . . . . 0.494 ' OD2' ' HB2' ' A' 1204 ' ' PHE . 4.7 p-10 -152.07 157.89 33.96 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.652 -177.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1203 ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' 1202 ' ' ASP . 11.5 Cg_endo -55.4 -20.51 26.2 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.407 2.738 . . . . 0.0 114.048 -177.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1204 ' ' PHE . . . . . 0.559 ' O ' ' HB3' ' A' 1207 ' ' ARG . 95.4 m-85 -84.07 46.9 1.24 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.023 0.44 . . . . 0.0 110.53 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1205 ' ' THR . . . . . 0.45 ' HA ' ' OD1' ' A' 1208 ' ' ASP . 6.2 m -69.31 159.03 33.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.712 177.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1206 ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' 1205 ' ' THR . 93.3 mt-30 76.91 -38.46 0.31 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.559 0.744 . . . . 0.0 109.99 -177.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.559 ' HB3' ' O ' ' A' 1204 ' ' PHE . 0.8 OUTLIER -59.17 -26.2 64.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.429 172.157 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1208 ' ' ASP . . . . . 0.45 ' OD1' ' HA ' ' A' 1205 ' ' THR . 5.0 m-20 -51.31 -43.65 61.73 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.191 177.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.747 ' O ' ' HG ' ' A' 1213 ' ' LEU . 41.2 t -62.71 -54.55 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.618 -177.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.78 -36.7 83.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.084 0.468 . . . . 0.0 110.846 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 38.4 t30 -64.74 -49.68 69.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.411 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.07 97.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.597 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1213 ' ' LEU . . . . . 0.747 ' HG ' ' O ' ' A' 1209 ' ' VAL . 11.6 mt -60.77 -43.34 98.16 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.065 0.459 . . . . 0.0 110.153 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -68.27 -45.87 71.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.419 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -53.24 -48.77 67.94 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.013 -175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.517 HG13 ' CE2' ' A' 1278 ' ' PHE . 70.7 t -58.41 -46.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.654 0.264 . . . . 0.0 111.542 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -74.03 -47.4 18.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.335 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.15 -46.61 86.39 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.228 0.211 . . . . 0.0 111.473 -176.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.84 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.546 0.212 . . . . 0.0 111.088 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 49.0 m -62.56 -43.75 98.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.953 0.406 . . . . 0.0 110.509 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1221 ' ' LYS . . . . . 0.532 ' HA ' ' HB2' ' A' 1225 ' ' SER . 58.6 mtpt -74.49 -35.54 63.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.316 -178.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -77.5 -36.66 52.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.372 -0.376 . . . . 0.0 112.013 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.457 HD22 ' HG2' ' A' 1229 ' ' PRO . 86.9 mt -92.67 -59.35 2.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -173.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 3.7 pp -109.85 15.18 22.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -167.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1225 ' ' SER . . . . . 0.532 ' HB2' ' HA ' ' A' 1221 ' ' LYS . 38.7 t -84.43 -60.3 2.12 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.003 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -131.2 -62.54 0.88 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.161 0.505 . . . . 0.0 111.13 -172.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 64.6 tp -92.49 114.07 26.52 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.121 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 90.7 mt -89.11 120.2 69.85 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.222 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.613 ' HD2' HG11 ' A' 1286 ' ' VAL . 53.9 Cg_exo -53.36 146.96 38.67 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.81 2.34 . . . . 0.0 111.775 176.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -48.43 103.99 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.696 2.931 . . . . 0.0 113.225 -175.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1231 ' ' SER . . . . . 0.751 ' HB3' ' HA ' ' A' 1287 ' ' GLU . 19.4 m -131.35 114.85 15.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.61 178.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 5.3 m -149.03 28.25 0.84 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.456 0.646 . . . . 0.0 110.561 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1233 ' ' GLY . . . . . 0.588 ' HA3' ' HG2' ' A' 1237 ' ' GLU . . . -78.58 -42.59 13.6 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 174.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 82.4 p 62.32 151.25 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.772 1.229 . . . . 0.0 114.285 171.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 54.1 t80 40.22 -91.38 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.334 1.454 . . . . 0.0 113.856 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.34 -38.56 84.18 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.999 -174.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1237 ' ' GLU . . . . . 0.588 ' HG2' ' HA3' ' A' 1233 ' ' GLY . 15.7 tp10 -67.7 -49.74 61.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.364 178.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.11 93.26 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.302 -175.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1239 ' ' GLN . . . . . 0.404 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 63.9 tt0 -59.26 -56.92 15.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.803 -176.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.9 p -67.18 -35.06 78.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.006 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -68.03 -45.09 74.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.858 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1242 ' ' LEU . . . . . 0.504 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 61.6 tp -63.26 -44.43 95.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.841 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -63.18 -35.25 79.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.697 0.284 . . . . 0.0 111.617 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.68 -47.97 42.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.844 0.354 . . . . 0.0 110.31 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.49 98.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.196 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1246 ' ' ALA . . . . . 0.477 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -61.73 -46.05 91.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.337 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.14 -31.63 71.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.863 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.31 -42.82 56.38 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.546 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1249 ' ' LEU . . . . . 0.407 HD21 HD11 ' A' 1308 ' ' ILE . 37.9 tp -69.02 -34.62 75.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.483 0.182 . . . . 0.0 110.978 -178.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -54.9 -46.75 74.87 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.961 0.41 . . . . 0.0 110.159 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.415 ' O ' ' HB ' ' A' 1254 ' ' THR . 24.1 tt0 -72.56 -32.29 65.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.335 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1252 ' ' ALA . . . . . 0.912 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -61.3 -44.36 97.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.683 177.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -64.01 -39.09 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.97 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1254 ' ' THR . . . . . 0.512 ' O ' ' HG2' ' A' 1258 ' ' GLN . 92.9 m -57.94 -40.99 81.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.782 175.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.692 ' HG3' ' HG2' ' A' 1273 ' ' ARG . 5.5 mm-40 -56.91 -42.71 80.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.296 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.452 ' HB3' HD21 ' A' 1335 ' ' LEU . 18.5 mt -65.47 -35.42 80.86 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.867 177.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 59.2 t -64.65 -47.05 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.086 0.469 . . . . 0.0 110.239 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1258 ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' 1254 ' ' THR . 79.4 mm-40 -61.12 -41.36 96.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.176 178.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1259 ' ' ALA . . . . . 0.456 ' HA ' ' OD2' ' A' 1266 ' ' ASP . . . -74.77 -27.25 60.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.715 -177.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1260 ' ' SER . . . . . 0.521 ' HA ' HD21 ' A' 1322 ' ' LEU . 33.7 t -57.23 -34.9 69.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.399 0.618 . . . . 0.0 110.249 177.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -96.13 18.15 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.398 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -122.43 -122.61 2.82 Favored Glycine 0 N--CA 1.436 -1.363 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1263 ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' 1264 ' ' PRO . 68.3 p -140.83 167.55 17.21 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.929 0.364 . . . . 0.0 111.295 -175.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1264 ' ' PRO . . . . . 0.559 ' HA ' ' HB2' ' A' 1267 ' ' LEU . 84.6 Cg_exo -51.83 -28.49 31.03 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.865 2.377 . . . . 0.0 112.972 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.34 -50.45 67.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.762 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1266 ' ' ASP . . . . . 0.456 ' OD2' ' HA ' ' A' 1259 ' ' ALA . 3.3 p-10 -79.54 -25.62 41.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.559 ' HB2' ' HA ' ' A' 1264 ' ' PRO . 21.2 mt -59.53 -37.31 78.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.494 170.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.48 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -51.41 -47.66 62.9 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.38 0.609 . . . . 0.0 110.361 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1270 ' ' ALA . . . . . 0.4 ' CB ' HD23 ' A' 1256 ' ' LEU . . . -60.52 -40.1 90.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.247 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 15.5 m -65.22 -44.57 87.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.728 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -62.48 -40.79 99.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.714 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1273 ' ' ARG . . . . . 0.692 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 16.5 tpp180 -65.24 -48.02 74.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 110.469 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1274 ' ' PHE . . . . . 0.912 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 51.2 t80 -63.05 -52.34 63.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.346 -176.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.29 -37.98 95.48 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.107 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.3 -52.73 17.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.689 0.28 . . . . 0.0 111.185 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.12 -29.8 69.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.537 ' CE2' HD11 ' A' 1282 ' ' LEU . 89.8 t80 -63.09 -43.46 98.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.541 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 22.7 m -62.2 -39.77 93.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.465 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 15.0 m -63.44 -39.46 94.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.317 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 83.5 t80 -63.41 -42.4 98.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.343 176.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' 1278 ' ' PHE . 24.1 mt -61.24 -45.01 96.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.01 -38.67 89.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.866 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -65.52 -36.38 83.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.33 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -63.52 -41.93 99.07 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.83 176.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.613 HG11 ' HD2' ' A' 1229 ' ' PRO . 98.5 t -62.65 -41.36 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.391 177.184 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1287 ' ' GLU . . . . . 0.751 ' HA ' ' HB3' ' A' 1231 ' ' SER . 17.2 tp10 -55.75 -46.39 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.626 177.365 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.632 ' O ' ' HG2' ' A' 1291 ' ' GLN . 7.9 ptm -78.86 -24.78 44.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.963 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -68.31 -26.69 65.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.93 0.395 . . . . 0.0 110.103 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -69.68 -34.27 72.46 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.763 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1291 ' ' GLN . . . . . 0.632 ' HG2' ' O ' ' A' 1288 ' ' MET . 25.5 pt20 -77.96 -8.12 57.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.604 0.24 . . . . 0.0 110.854 -177.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1292 ' ' ALA . . . . . 0.456 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -62.89 117.37 31.74 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.744 -179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1293 ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 15.4 Cg_exo -68.82 -56.77 0.15 Allowed 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 123.062 2.508 . . . . 0.0 111.971 -177.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 5.8 m -85.73 149.79 25.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.021 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -65.46 -34.18 77.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.66 -33.8 75.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.465 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.41 -43.65 73.0 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.449 ' O ' HG23 ' A' 1302 ' ' VAL . 38.7 ttp-105 -65.25 -33.59 76.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.185 177.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.63 79.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 176.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -61.42 -47.37 86.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.268 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.659 ' O ' ' HG ' ' A' 1305 ' ' LEU . 10.6 p -61.21 -40.36 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.564 -178.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.469 ' HA ' HD12 ' A' 1305 ' ' LEU . 71.8 t -64.07 -33.16 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-O 120.651 0.263 . . . . 0.0 110.87 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 54.8 m -58.91 -48.13 82.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.84 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1304 ' ' ASN . . . . . 0.654 ' HB2' HD23 ' A' 1349 ' ' LEU . 20.5 m120 -64.75 -38.83 92.33 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.146 0.498 . . . . 0.0 109.955 177.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' 1301 ' ' VAL . 93.5 mt -62.4 -39.11 92.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.741 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -70.57 -36.55 73.67 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 120.646 -0.422 . . . . 0.0 109.917 174.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.85 77.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.001 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1308 ' ' ILE . . . . . 0.407 HD11 HD21 ' A' 1249 ' ' LEU . 0.0 OUTLIER -75.02 -37.85 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 122.807 -0.231 . . . . 0.0 110.389 178.678 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 40.0 t -61.19 -49.39 77.37 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 110.596 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1310 ' ' MET . . . . . 0.72 ' O ' ' HG2' ' A' 1314 ' ' LYS . 62.9 mtp -57.33 -51.19 70.39 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.54 178.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 23.3 m -55.79 -39.89 71.91 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.388 0.43 . . . . 0.0 110.66 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1312 ' ' SER . . . . . 0.419 ' HB3' ' CE2' ' A' 1274 ' ' PHE . 49.5 m -66.52 -40.68 89.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.476 0.655 . . . . 0.0 109.932 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.519 ' O ' ' HG ' ' A' 1317 ' ' LEU . 50.7 m -61.62 -48.05 82.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.537 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.72 ' HG2' ' O ' ' A' 1310 ' ' MET . 65.0 mmtt -63.18 -38.49 91.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.175 0.512 . . . . 0.0 110.018 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.616 HD22 ' HA ' ' A' 1339 ' ' ALA . 40.7 tp -60.16 -44.29 95.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.945 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.722 ' HB3' HD22 ' A' 1213 ' ' LEU . 49.9 mt -73.0 -26.75 61.44 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -178.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' 1313 ' ' SER . 90.6 mt -64.49 -34.78 79.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.081 0.467 . . . . 0.0 109.896 174.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.25 -41.58 76.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.849 174.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.92 82.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.965 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -56.93 -48.97 77.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.129 0.49 . . . . 0.0 110.237 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.93 68.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.871 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.531 HD11 ' HE2' ' A' 1332 ' ' LYS . 29.2 tp -75.64 -32.17 60.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.511 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 12.6 p -78.79 -12.97 60.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 1.3 p -100.26 -34.02 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.695 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -131.45 82.71 61.1 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.271 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -81.41 -1.05 10.85 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.469 2.112 . . . . 0.0 112.583 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -96.52 -0.28 49.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.392 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1328 ' ' SER . . . . . 0.497 ' CB ' HD13 ' A' 1331 ' ' LEU . 55.6 m -93.72 109.14 39.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.57 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1329 ' ' PRO . . . . . 0.625 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 33.8 Cg_endo -64.85 -29.2 58.68 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.845 2.363 . . . . 0.0 112.51 -176.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -62.67 -32.78 73.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.707 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1331 ' ' LEU . . . . . 0.497 HD13 ' CB ' ' A' 1328 ' ' SER . 10.7 mp -70.39 -26.96 63.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.19 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.625 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 0.8 OUTLIER -64.8 -43.1 94.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.003 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 16.1 m -70.52 -41.02 73.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.312 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1334 ' ' GLN . . . . . 0.431 ' HB3' ' HA ' ' A' 1331 ' ' LEU . 48.6 tt0 -53.58 -48.08 69.54 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.727 177.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1335 ' ' LEU . . . . . 0.48 HD22 ' HB2' ' A' 1260 ' ' SER . 9.8 tt -68.81 -47.48 65.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.495 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1336 ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -55.98 -40.61 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.705 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.35 91.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.899 0.38 . . . . 0.0 110.969 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' 1342 ' ' VAL . . . -72.06 -36.31 69.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.711 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1339 ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.45 -39.8 92.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1340 ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' 1336 ' ' ALA . 30.2 mmt180 -71.59 -32.17 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.201 178.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.7 87.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.407 176.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.602 ' O ' HG13 ' A' 1346 ' ' ILE . 98.0 t -58.52 -52.3 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.122 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1343 ' ' THR . . . . . 0.608 ' HA ' HD12 ' A' 1346 ' ' ILE . 17.4 m -60.29 -36.29 77.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.76 -177.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.88 -46.35 88.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.135 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.8 m -69.04 -27.13 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.494 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' 1343 ' ' THR . 85.8 mt -62.88 -54.99 26.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.58 0.229 . . . . 0.0 110.679 178.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -68.48 -28.44 67.03 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.494 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -59.7 -38.05 80.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.404 176.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.654 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -75.73 -37.53 59.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' 1346 ' ' ILE . 49.3 mm -60.21 -38.13 76.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.601 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 85.5 m -59.75 -31.45 69.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.891 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 25.0 mmt -76.4 -28.2 56.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1353 ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 45.7 t -74.19 -39.61 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.208 0.528 . . . . 0.0 110.019 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 27.6 p -87.83 174.43 8.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.494 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 52.12 84.12 0.05 Allowed 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.665 0.603 . . . . 0.0 112.048 175.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.8 84.84 0.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 176.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.024 -177.525 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.68 -0.568 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.25 125.82 74.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.368 0.604 . . . . 0.0 110.319 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1202 ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' 1203 ' ' PRO . 25.3 t0 -160.07 110.96 1.41 Allowed Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.108 178.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1203 ' ' PRO . . . . . 0.451 ' HD2' ' NH2' ' A' 1207 ' ' ARG . 51.7 Cg_exo -55.13 107.56 0.24 Allowed 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.404 2.736 . . . . 0.0 114.209 -174.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -112.0 179.81 3.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.463 172.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1205 ' ' THR . . . . . . . . . . . . . 7.0 m 70.13 20.17 6.46 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.77 0.795 . . . . 0.0 109.761 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -162.56 -45.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.835 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1207 ' ' ARG . . . . . 0.451 ' NH2' ' HD2' ' A' 1203 ' ' PRO . 31.3 ttm180 -72.08 -51.01 23.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.882 0.372 . . . . 0.0 110.086 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1208 ' ' ASP . . . . . 0.587 ' OD2' ' HA ' ' A' 1268 ' ' ALA . 0.8 OUTLIER -50.6 -41.88 55.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.185 178.794 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1209 ' ' VAL . . . . . 0.45 HG13 ' OD2' ' A' 1208 ' ' ASP . 36.0 m -78.41 -29.91 15.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.202 -174.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.61 -38.98 20.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 111.017 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 52.3 t30 -64.9 -32.93 74.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.186 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1212 ' ' ALA . . . . . 0.43 ' HB1' HD13 ' A' 1316 ' ' LEU . . . -58.24 -42.71 86.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.103 173.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.91 -39.92 96.0 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.363 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -63.07 -44.65 95.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.47 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -61.27 -48.91 79.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.78 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1216 ' ' VAL . . . . . 0.596 HG13 ' CE2' ' A' 1278 ' ' PHE . 94.5 t -62.36 -44.64 99.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.846 178.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1217 ' ' GLY . . . . . 0.543 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -64.09 -46.4 91.28 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.367 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.53 -31.05 71.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.743 0.306 . . . . 0.0 111.168 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1219 ' ' ALA . . . . . 0.529 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -66.79 -40.35 88.09 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1220 ' ' SER . . . . . 0.563 ' O ' ' HB2' ' A' 1224 ' ' LEU . 27.6 m -66.05 -30.87 71.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.347 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1221 ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' 1217 ' ' GLY . 63.6 mttp -68.44 -54.35 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.992 0.425 . . . . 0.0 110.75 177.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -68.92 -39.96 79.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.813 -175.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1223 ' ' LEU . . . . . 0.788 ' HB3' HG11 ' A' 1286 ' ' VAL . 29.9 mt -101.66 -46.65 4.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -166.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1224 ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' A' 1220 ' ' SER . 3.4 mm? -70.05 91.54 0.69 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.154 0.502 . . . . 0.0 111.843 -172.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 31.3 p -165.22 -173.94 3.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.289 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -92.35 6.58 46.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.813 0.34 . . . . 0.0 110.745 178.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 82.4 mt -77.35 111.68 13.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.986 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1228 ' ' LEU . . . . . 0.481 ' HA ' ' HD3' ' A' 1229 ' ' PRO . 3.3 pp -92.27 130.1 38.92 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.349 -177.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1229 ' ' PRO . . . . . 0.787 ' HG2' ' HA ' ' A' 1287 ' ' GLU . 5.1 Cg_exo -75.45 142.29 26.38 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.912 2.408 . . . . 0.0 111.751 176.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1230 ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 22.9 Cg_exo -64.55 154.11 73.71 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.684 2.256 . . . . 0.0 111.089 176.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 44.0 m -80.0 99.67 7.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.783 0.325 . . . . 0.0 111.16 -176.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 18.2 m -77.27 -44.79 28.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.935 0.398 . . . . 0.0 110.213 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -111.68 -120.44 3.93 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 11.0 p -129.41 173.18 10.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.995 0.426 . . . . 0.0 110.606 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 49.4 t80 -68.31 -39.87 81.86 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -64.48 -38.3 90.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.957 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.04 -44.28 97.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.374 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.98 95.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.673 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -63.22 -42.62 99.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.695 177.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 43.2 t -59.5 -42.97 93.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.094 0.473 . . . . 0.0 110.285 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.23 -40.92 98.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.908 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1242 ' ' LEU . . . . . 0.527 ' HB3' HD12 ' A' 1350 ' ' ILE . 9.1 mt -62.83 -43.01 99.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.909 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -57.58 -34.42 69.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.185 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -77.47 -51.67 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.64 93.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.901 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1246 ' ' ALA . . . . . 0.524 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -59.76 -49.84 76.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.993 -178.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.28 79.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.248 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.79 -45.17 59.41 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.341 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 37.5 tp -66.64 -33.67 76.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.589 0.233 . . . . 0.0 110.807 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -57.05 -43.96 82.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.301 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1251 ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' A' 1255 ' ' GLU . 48.5 tt0 -72.76 -32.15 65.43 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.422 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.86 77.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.953 0.406 . . . . 0.0 110.418 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1253 ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' 1257 ' ' VAL . . . -67.87 -39.12 83.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.096 0.474 . . . . 0.0 110.162 173.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 29.1 m -62.56 -34.85 77.77 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.693 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1255 ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' 1251 ' ' GLN . 33.7 mm-40 -57.2 -47.63 80.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.291 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1256 ' ' LEU . . . . . 0.675 ' HB3' HD21 ' A' 1335 ' ' LEU . 36.1 mt -60.93 -40.51 93.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.742 177.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1257 ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' 1253 ' ' ALA . 58.3 t -58.26 -51.39 71.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.691 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -60.04 -49.9 75.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.702 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.46 80.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.461 -175.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1260 ' ' SER . . . . . 0.476 ' HB3' HD13 ' A' 1335 ' ' LEU . 96.9 p -60.65 -31.98 71.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.003 0.43 . . . . 0.0 111.378 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -101.66 9.28 41.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.633 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -116.0 -71.49 0.48 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.212 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1263 ' ' THR . . . . . 0.429 HG23 ' HB2' ' A' 1266 ' ' ASP . 1.9 t -159.45 138.49 8.07 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.954 0.407 . . . . 0.0 111.177 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1264 ' ' PRO . . . . . 0.689 ' HA ' HD12 ' A' 1267 ' ' LEU . 52.8 Cg_exo -55.9 -26.0 55.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.459 2.773 . . . . 0.0 112.454 175.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -70.77 -28.68 64.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.526 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1266 ' ' ASP . . . . . 0.429 ' HB2' HG23 ' A' 1263 ' ' THR . 11.8 t70 -80.73 -34.15 34.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1267 ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' 1264 ' ' PRO . 49.3 mt -56.64 -34.73 67.58 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.783 174.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1268 ' ' ALA . . . . . 0.587 ' HA ' ' OD2' ' A' 1208 ' ' ASP . . . -56.35 -45.94 80.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.261 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -70.71 -41.54 71.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.922 0.391 . . . . 0.0 110.218 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.44 92.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.88 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1271 ' ' SER . . . . . 0.442 ' OG ' HG12 ' A' 1209 ' ' VAL . 51.4 m -60.66 -49.5 77.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.24 176.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.76 -34.94 91.29 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.078 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -71.18 -55.91 7.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1274 ' ' PHE . . . . . 0.489 ' HZ ' HG11 ' A' 1342 ' ' VAL . 76.1 t80 -54.76 -48.59 72.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.633 -174.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -61.77 -44.37 97.97 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.919 -177.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -77.1 -39.97 47.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.794 0.33 . . . . 0.0 110.891 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 4.8 t70 -63.08 -38.82 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.23 0.538 . . . . 0.0 109.725 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1278 ' ' PHE . . . . . 0.596 ' CE2' HG13 ' A' 1216 ' ' VAL . 57.5 t80 -57.09 -43.21 82.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.937 176.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 49.9 m -59.85 -41.13 90.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.065 0.459 . . . . 0.0 110.239 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 2.2 m -68.29 -31.87 71.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.864 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 49.5 t80 -73.81 -47.0 41.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.534 177.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1282 ' ' LEU . . . . . 0.529 HD23 ' HB1' ' A' 1219 ' ' ALA . 29.2 tp -61.56 -40.86 96.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.179 -175.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1283 ' ' GLU . . . . . 0.497 ' HG2' HD11 ' A' 1223 ' ' LEU . 41.6 mt-10 -63.24 -27.96 69.71 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.698 0.285 . . . . 0.0 111.57 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -74.38 -42.67 58.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.882 0.372 . . . . 0.0 110.131 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -66.02 -45.25 88.79 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.568 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1286 ' ' VAL . . . . . 0.788 HG11 ' HB3' ' A' 1223 ' ' LEU . 18.3 m -67.8 -26.71 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 122.644 -0.327 . . . . 0.0 111.126 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1287 ' ' GLU . . . . . 0.787 ' HA ' ' HG2' ' A' 1229 ' ' PRO . 36.1 tt0 -65.31 -52.97 50.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.12 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1288 ' ' MET . . . . . 0.461 ' HE3' ' HB2' ' A' 1288 ' ' MET . 22.1 ptm -70.93 -24.97 62.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 178.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1289 ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' 1298 ' ' ARG . . . -59.34 -35.63 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.162 0.506 . . . . 0.0 109.93 171.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1290 ' ' GLY . . . . . 0.741 ' HA3' ' HD2' ' A' 1229 ' ' PRO . . . -76.38 -31.73 53.73 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.692 174.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1291 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -83.97 15.87 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.374 0.27 . . . . 0.0 110.823 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1292 ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -59.1 144.6 82.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.778 -176.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1293 ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 24.1 Cg_exo -64.48 -33.33 57.54 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.844 2.363 . . . . 0.0 112.424 177.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 53.2 p -146.69 165.79 28.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 111.301 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -66.4 -40.29 89.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.28 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.48 -34.12 77.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.394 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.98 -43.69 82.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.954 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1298 ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' 1289 ' ' ALA . 49.0 ttp180 -59.33 -48.82 80.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.548 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.82 76.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.85 -51.85 36.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1301 ' ' VAL . . . . . 0.581 ' O ' ' HG ' ' A' 1305 ' ' LEU . 12.4 p -62.7 -36.64 76.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.185 -177.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1302 ' ' VAL . . . . . 0.533 ' HA ' HD12 ' A' 1305 ' ' LEU . 77.0 t -63.97 -38.69 83.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.497 176.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 40.1 m -63.71 -38.68 92.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.608 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1304 ' ' ASN . . . . . 0.556 ' HB2' HD23 ' A' 1349 ' ' LEU . 9.5 m120 -61.43 -43.06 99.53 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1305 ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' 1301 ' ' VAL . 92.7 mt -60.45 -39.88 89.15 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.896 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1306 ' ' LYS . . . . . 0.402 ' HA ' ' HG ' ' A' 1309 ' ' SER . 35.2 ttpt -64.71 -42.79 95.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.785 0.326 . . . . 0.0 110.212 175.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.82 -42.49 91.9 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.466 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -37.61 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 122.736 -0.273 . . . . 0.0 111.037 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1309 ' ' SER . . . . . 0.402 ' HG ' ' HA ' ' A' 1306 ' ' LYS . 34.1 p -66.11 -48.21 71.61 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.794 0.33 . . . . 0.0 111.164 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1310 ' ' MET . . . . . . . . . . . . . 93.3 mmm -63.89 -39.49 94.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.765 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 69.6 m -63.51 -39.3 94.07 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.729 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 49.6 m -63.16 -40.57 97.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.504 0.668 . . . . 0.0 109.6 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1313 ' ' SER . . . . . 0.431 ' O ' ' HG ' ' A' 1317 ' ' LEU . 60.1 m -60.68 -50.5 73.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.683 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1314 ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' 1317 ' ' LEU . 57.8 mttm -63.54 -34.58 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.139 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1315 ' ' LEU . . . . . 0.59 HD22 ' HA ' ' A' 1339 ' ' ALA . 38.0 tp -63.57 -49.32 73.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1316 ' ' LEU . . . . . 0.43 HD13 ' HB1' ' A' 1212 ' ' ALA . 70.3 mt -66.97 -26.92 67.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.24 -178.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1317 ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' 1313 ' ' SER . 90.4 mt -64.67 -34.86 79.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 0.0 110.263 175.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.57 -37.75 73.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.954 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.48 87.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.976 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1320 ' ' LYS . . . . . 0.442 ' HA ' HG21 ' A' 1209 ' ' VAL . 39.6 ttmt -63.28 -50.65 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.166 0.507 . . . . 0.0 110.584 177.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.41 83.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.872 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1322 ' ' LEU . . . . . 0.418 ' CD2' ' HB2' ' A' 1260 ' ' SER . 35.1 tp -77.93 -19.37 54.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.719 -177.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 8.6 p -85.12 -27.88 25.94 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.754 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 8.6 t -89.64 -30.75 17.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.811 0.338 . . . . 0.0 110.316 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -124.59 77.23 63.59 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.871 0.367 . . . . 0.0 110.245 173.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -79.38 -2.76 12.54 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.433 2.088 . . . . 0.0 113.054 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -93.16 -6.29 48.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.389 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 35.7 t -83.93 111.23 31.22 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1329 ' ' PRO . . . . . 0.619 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 37.4 Cg_endo -66.45 -28.2 46.28 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.927 2.418 . . . . 0.0 112.418 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 17.6 m120 -62.94 -35.88 81.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.255 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1331 ' ' LEU . . . . . 0.406 ' HB2' HD13 ' A' 1322 ' ' LEU . 6.4 mp -71.09 -26.67 63.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.707 -175.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1332 ' ' LYS . . . . . 0.619 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 0.6 OUTLIER -64.97 -48.09 75.27 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.7 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 4.3 m -64.24 -43.34 95.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.3 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.11 -50.16 74.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.018 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1335 ' ' LEU . . . . . 0.675 HD21 ' HB3' ' A' 1256 ' ' LEU . 8.6 tt -63.72 -48.87 75.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.455 -178.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -60.48 -34.55 74.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.441 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -71.53 -47.95 51.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.756 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1338 ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' 1342 ' ' VAL . . . -62.11 -38.55 89.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1339 ' ' ALA . . . . . 0.59 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -60.17 -43.02 96.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.005 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1340 ' ' ARG . . . . . 0.489 ' HD3' ' HA ' ' A' 1340 ' ' ARG . 25.1 mmt180 -71.45 -27.96 63.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.15 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.97 -42.45 85.14 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 173.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1342 ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' 1346 ' ' ILE . 97.1 t -60.76 -48.68 87.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.885 174.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 33.5 m -52.75 -49.3 65.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.5 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1344 ' ' ASP . . . . . 0.569 ' O ' ' HG2' ' A' 1348 ' ' GLN . 26.5 t70 -63.14 -45.0 94.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.791 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 19.4 m -58.61 -38.27 77.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1346 ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' 1342 ' ' VAL . 88.5 mt -60.73 -49.27 85.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.085 175.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -61.67 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1348 ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' 1344 ' ' ASP . 79.8 mm-40 -60.75 -35.72 77.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.743 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.2 tm? -63.43 -51.28 66.41 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1350 ' ' ILE . . . . . 0.527 HD12 ' HB3' ' A' 1242 ' ' LEU . 34.8 mm -61.39 -32.63 53.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.747 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 55.3 m -57.92 -54.96 41.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -28.85 69.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.3 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 61.3 m -67.28 -20.85 65.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.546 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 9.0 t -126.19 12.77 7.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.946 0.403 . . . . 0.0 110.86 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -81.18 105.91 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.53 -174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 63.44 -92.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.209 176.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.661 -0.685 . . . . 0.0 110.507 -176.527 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.754 0.312 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.11 -33.57 74.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.388 -175.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 1.025 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 21.1 m -77.48 -28.68 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.118 -175.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -82.81 -40.33 20.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.451 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.83 -32.67 72.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -64.22 -46.15 85.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.468 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 42.1 mt -64.63 -35.15 80.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.46 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -57.48 -52.37 65.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.982 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.78 -55.57 12.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.559 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.448 HG13 ' CE2' ' A' 1278 ' ' PHE . 88.6 t -59.5 -47.36 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 111.06 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -61.0 -49.98 72.62 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.477 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -61.63 -45.45 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.735 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.35 86.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.887 0.375 . . . . 0.0 110.274 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . 0.416 ' HA ' HD21 ' A' 1282 ' ' LEU . 19.6 t -63.28 -38.71 92.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 14.1 mptt -77.98 -43.65 29.0 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -78.53 -24.38 45.73 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -174.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.739 ' HB3' HG21 ' A' 1286 ' ' VAL . 97.1 mt -97.79 -38.02 9.63 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.875 -176.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . 0.431 HD22 HG13 ' A' 1302 ' ' VAL . 82.8 mt . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.149 0.5 . . . . 0.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 12.9 mm100 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.66 0.267 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -67.41 -51.3 53.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.061 0.458 . . . . 0.0 109.907 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.34 80.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.178 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -57.16 -52.54 64.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.323 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' 1244 ' ' GLU . 42.0 m -65.03 -40.22 94.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.652 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 19.6 ttp180 -63.25 -36.5 83.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.553 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 19.3 tp -65.52 -46.39 79.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.821 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -57.68 -45.13 86.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.692 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' 1240 ' ' SER . 32.2 mt-10 -63.13 -40.85 98.81 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.253 0.549 . . . . 0.0 110.485 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.47 82.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.666 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.09 94.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.838 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.59 -35.33 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.309 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -74.49 -42.35 33.78 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.231 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.2 -31.82 72.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.799 0.333 . . . . 0.0 110.602 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -57.7 -39.46 77.26 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' A' 1255 ' ' GLU . 23.0 tt0 -76.31 -34.21 59.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.227 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.16 86.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.765 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' 1257 ' ' VAL . . . -66.4 -38.38 87.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.267 0.556 . . . . 0.0 109.998 174.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 92.5 m -62.71 -36.46 83.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.846 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' 1251 ' ' GLN . 47.6 mt-10 -63.28 -40.26 96.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.948 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.611 ' HB3' HD21 ' A' 1335 ' ' LEU . 35.2 mt -62.86 -36.87 84.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.757 0.313 . . . . 0.0 110.312 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' 1253 ' ' ALA . 76.8 t -64.25 -52.0 61.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.057 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . 0.496 ' HG2' ' HA ' ' A' 1255 ' ' GLU . 4.6 pt20 -67.16 -36.49 81.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.973 0.416 . . . . 0.0 110.901 -177.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.03 62.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.702 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . 0.448 ' HA ' HD21 ' A' 1267 ' ' LEU . 73.2 p -64.17 -24.33 67.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.064 0.459 . . . . 0.0 110.809 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -104.32 18.99 21.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.36 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.46 -91.15 0.97 Allowed Glycine 0 N--CA 1.44 -1.062 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 29.8 p -143.04 153.69 60.67 Favored Pre-proline 0 C--O 1.234 0.279 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . 0.53 ' HA ' HD12 ' A' 1267 ' ' LEU . 41.7 Cg_exo -60.04 -23.94 74.89 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.831 2.354 . . . . 0.0 111.986 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -74.28 -30.49 62.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -73.12 -40.75 64.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' 1264 ' ' PRO . 82.0 mt -55.47 -35.58 65.66 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.74 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -58.03 -56.32 23.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.145 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -67.63 -32.32 72.94 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.809 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.04 97.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.861 174.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . 0.558 ' OG ' ' HA ' ' A' 1209 ' ' VAL . 9.0 t -65.94 -45.73 80.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.458 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -60.54 -40.03 97.23 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.511 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -76.24 -44.67 36.38 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.755 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 72.3 t80 -53.39 -49.69 66.7 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 123.33 0.394 . . . . 0.0 111.045 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . 0.412 ' HA2' HG23 ' A' 1216 ' ' VAL . . . -65.04 -40.12 96.83 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.521 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -71.83 -46.01 59.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.549 0.214 . . . . 0.0 111.296 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.14 -31.28 69.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.437 . . . . 0.0 110.241 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.448 ' CE2' HG13 ' A' 1216 ' ' VAL . 81.2 t80 -56.29 -37.85 70.44 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.849 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 23.0 t -57.7 -51.4 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.036 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 32.0 m -59.13 -39.59 82.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.81 -51.4 67.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.668 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' 1286 ' ' VAL . 26.4 tp -67.47 -41.89 83.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.162 -175.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.4 -32.59 70.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.64 0.257 . . . . 0.0 111.208 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -77.77 -42.13 35.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.881 0.372 . . . . 0.0 110.524 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.76 93.18 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.778 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.739 HG21 ' HB3' ' A' 1223 ' ' LEU . 24.4 t -67.49 -30.77 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 110.459 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.61 -50.86 69.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.703 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . . . . . . . . . 24.8 ptm -71.01 -28.39 64.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.606 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.06 82.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.009 0.433 . . . . 0.0 110.434 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -75.33 -10.81 84.46 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.363 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -95.77 -2.0 48.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.63 -0.335 . . . . 0.0 110.819 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . 0.443 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -65.61 121.07 73.36 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.359 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 22.6 Cg_exo -65.67 -41.9 13.54 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 123.211 2.607 . . . . 0.0 112.888 -175.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 22.0 m -94.48 127.92 40.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . 0.499 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 11.1 pt20 -66.62 -26.36 67.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.571 0.224 . . . . 0.0 110.966 -177.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.55 -43.65 96.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.308 0.575 . . . . 0.0 109.568 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 35.9 t70 -73.47 -38.79 65.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.049 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.499 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 56.6 ttt180 -58.31 -48.87 79.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.042 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -65.68 -33.26 75.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.07 0.462 . . . . 0.0 110.449 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.05 -50.56 65.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.017 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' 1305 ' ' LEU . 11.5 p -63.78 -33.66 63.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.783 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' 1298 ' ' ARG . 73.5 t -65.2 -37.4 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 110.633 175.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 36.9 m -61.85 -40.73 96.35 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.0 0.428 . . . . 0.0 110.231 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . 0.561 ' HB2' HD23 ' A' 1349 ' ' LEU . 29.5 m-20 -64.76 -42.8 94.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.929 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.5 mt -60.17 -39.42 86.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.432 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -61.98 -41.58 98.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.464 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.61 -46.91 65.34 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.415 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . 0.462 HD13 ' O ' ' A' 1308 ' ' ILE . 0.0 OUTLIER -77.29 -34.27 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.403 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 62.7 m -62.89 -43.88 97.61 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.113 0.482 . . . . 0.0 110.969 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . 0.674 ' HB3' ' HE2' ' A' 1314 ' ' LYS . 0.1 OUTLIER -68.55 -49.36 60.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.847 177.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.7 m -59.12 -39.13 81.37 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 12.4 p -67.22 -40.08 86.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.32 0.581 . . . . 0.0 110.084 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . . . . . . . . . 49.7 m -61.8 -46.6 88.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.574 175.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.674 ' HE2' ' HB3' ' A' 1310 ' ' MET . 60.4 mttm -64.35 -33.74 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.863 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.645 HD22 ' HA ' ' A' 1339 ' ' ALA . 26.2 tp -65.02 -46.96 79.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.588 ' O ' ' HG3' ' A' 1320 ' ' LYS . 79.3 mt -57.91 -38.89 76.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.387 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.11 -34.72 72.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.171 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.57 70.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.554 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.26 87.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.127 0.489 . . . . 0.0 110.596 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . 1.025 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 8.0 mtpm? -58.98 -48.27 82.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.566 177.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -63.64 -33.11 74.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' 1331 ' ' LEU . 28.4 tp -74.57 -16.7 60.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.417 . . . . 0.0 110.937 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 25.3 m -79.22 -30.29 43.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.028 0.442 . . . . 0.0 110.247 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 7.0 p -91.84 -26.7 18.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.63 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . 0.403 ' O ' HD12 ' A' 1322 ' ' LEU . 4.0 m-20 -121.66 72.74 31.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.065 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -82.46 -9.04 11.45 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.743 2.295 . . . . 0.0 112.326 -175.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . 0.559 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -97.19 2.34 50.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 -177.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 14.5 m -93.07 101.21 5.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.289 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . 0.578 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 18.1 Cg_exo -66.58 -32.47 38.81 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.001 2.468 . . . . 0.0 112.777 -175.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 8.8 t30 -66.77 -31.08 71.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.639 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' 1322 ' ' LEU . 21.0 tp -68.75 -25.01 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.724 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.578 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 3.7 mptp? -63.71 -45.38 90.23 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.227 0.537 . . . . 0.0 109.606 174.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 22.3 m -68.73 -35.43 77.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.263 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -65.39 -39.47 92.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 0.0 109.944 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' 1256 ' ' LEU . 8.2 tt -63.38 -48.74 76.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.718 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.5 -37.8 76.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.54 83.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.985 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' 1342 ' ' VAL . . . -66.55 -38.76 87.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . 0.645 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -63.83 -38.35 90.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.173 0.511 . . . . 0.0 110.457 177.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -37.66 88.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.059 176.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.17 84.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.79 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' 1346 ' ' ILE . 96.4 t -58.71 -51.47 71.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.939 0.399 . . . . 0.0 110.363 177.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 23.4 m -60.0 -37.07 78.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.702 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.88 -47.38 83.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.774 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 45.7 m -65.23 -37.8 88.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.508 ' O ' HG12 ' A' 1350 ' ' ILE . 91.2 mt -58.25 -54.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.007 0.432 . . . . 0.0 109.912 176.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -62.41 -33.59 75.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.261 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.67 -47.27 86.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.452 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.561 HD23 ' HB2' ' A' 1304 ' ' ASN . 2.7 tm? -71.27 -37.7 71.89 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' 1346 ' ' ILE . 33.0 mm -65.71 -36.67 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.171 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 41.5 m -66.59 -34.66 78.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.934 0.397 . . . . 0.0 110.42 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 64.3 mtt -80.31 -27.87 38.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.807 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.333 -0.135 0 CA-C-O 121.1 0.476 . . . . 0.0 109.883 179.132 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.4 -42.38 77.86 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.632 0.253 . . . . 0.0 111.667 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.558 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 34.3 m -71.25 -22.57 22.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.919 0.39 . . . . 0.0 110.697 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -80.82 -48.59 12.22 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.053 0.454 . . . . 0.0 110.064 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 39.6 t30 -62.15 -37.22 84.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.075 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -56.21 -36.52 68.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.317 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . 0.607 HD11 ' HD2' ' A' 1320 ' ' LYS . 38.7 mt -66.49 -36.3 82.39 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.089 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -60.41 -38.08 82.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.41 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . 0.417 ' HB1' ' OG ' ' A' 1279 ' ' SER . . . -69.88 -44.85 68.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.104 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.547 HG13 ' CE2' ' A' 1278 ' ' PHE . 67.7 t -70.51 -47.54 64.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.574 -177.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -65.4 -47.47 78.77 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.089 -0.576 . . . . 0.0 112.799 -176.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' 1222 ' ' ARG . 31.3 t70 -65.49 -35.46 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.191 -0.203 . . . . 0.0 111.011 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . 0.431 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -61.76 -47.67 84.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.991 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 33.8 m -62.53 -42.02 99.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.214 0.53 . . . . 0.0 110.495 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -66.67 -40.15 88.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.19 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' 1218 ' ' ASP . 0.2 OUTLIER -73.57 -47.52 39.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.094 -175.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.479 HD12 ' HG ' ' A' 1282 ' ' LEU . 62.8 mt -84.44 -25.86 28.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -169.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--N 1.325 -0.5 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.617 -176.591 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.469 0.478 0 CA-C-O 120.439 0.161 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.83 -31.42 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.878 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.96 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.308 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -71.86 -42.12 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.161 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 16.7 m -59.8 -35.09 73.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.962 0.411 . . . . 0.0 110.482 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -72.12 -46.72 55.47 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.196 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . 0.449 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 36.1 tp -60.06 -41.77 93.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.79 177.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -60.52 -36.64 78.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.86 -42.2 86.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.666 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -73.32 -35.51 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.919 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.91 63.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.434 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -58.44 -35.53 72.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.303 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -72.54 -43.63 43.8 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.26 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.7 tp -68.6 -30.55 69.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.672 0.272 . . . . 0.0 110.902 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -58.39 -40.59 82.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 0.0 110.477 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -76.14 -34.36 59.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.72 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' 1255 ' ' GLU . . . -60.72 -34.1 73.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' 1257 ' ' VAL . . . -69.92 -44.05 70.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.095 174.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.0 m -55.07 -36.15 65.29 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.693 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' 1252 ' ' ALA . 66.9 mm-40 -54.96 -50.09 69.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.245 175.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.442 ' HB3' HD21 ' A' 1335 ' ' LEU . 64.2 mt -66.7 -32.58 73.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.964 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' 1253 ' ' ALA . 57.9 t -63.66 -52.12 61.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.747 0.308 . . . . 0.0 111.03 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -70.31 -30.7 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.102 0.477 . . . . 0.0 110.474 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -72.26 -27.6 62.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . 0.449 ' HB2' HD22 ' A' 1335 ' ' LEU . 28.1 t -56.53 -32.46 65.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.928 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . 0.454 HH11 ' HD2' ' A' 1261 ' ' ARG . 13.5 mtp180 -109.5 17.52 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -113.74 -99.17 2.33 Favored Glycine 0 N--CA 1.439 -1.156 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 13.1 p -140.88 160.26 59.11 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.543 0.211 . . . . 0.0 110.545 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . 0.614 ' HA ' HD12 ' A' 1267 ' ' LEU . 32.3 Cg_exo -60.59 -26.36 82.7 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.72 2.28 . . . . 0.0 111.938 174.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -70.96 -37.95 72.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.448 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -65.32 -44.32 88.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.748 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' 1264 ' ' PRO . 87.0 mt -54.22 -44.26 71.54 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.894 176.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -59.79 -54.99 39.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.54 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.58 -31.81 70.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.517 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -70.08 -43.83 70.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.722 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 46.7 m -58.21 -45.56 87.45 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.43 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.32 -44.74 96.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.718 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' 1273 ' ' ARG . 28.1 mtm180 -73.37 -44.23 59.04 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.297 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . 0.508 ' HD2' HD21 ' A' 1316 ' ' LEU . 73.0 t80 -57.76 -41.84 82.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.729 -177.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -68.19 -42.89 82.49 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.632 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.2 -47.2 65.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.672 0.272 . . . . 0.0 110.989 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.52 -35.99 81.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.651 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.547 ' CE2' HG13 ' A' 1216 ' ' VAL . 74.4 t80 -62.59 -39.4 93.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.627 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . 0.417 ' OG ' ' HB1' ' A' 1215 ' ' ALA . 22.0 m -57.24 -48.81 77.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.374 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 24.6 m -71.54 -37.77 71.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.691 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . 0.451 ' HE2' HG21 ' A' 1308 ' ' ILE . 80.9 t80 -57.5 -51.56 68.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.793 177.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' 1286 ' ' VAL . 41.7 tp -64.12 -40.4 96.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.982 -177.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . 0.427 ' HA ' HD13 ' A' 1223 ' ' LEU . 37.7 mt-10 -57.71 -48.63 79.02 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.728 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -64.33 -34.56 78.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.929 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . 0.459 ' O ' ' HG2' ' A' 1288 ' ' MET . . . -64.24 -47.34 85.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.355 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' 1282 ' ' LEU . 7.5 t -74.43 -24.35 18.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.274 0.559 . . . . 0.0 109.904 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.27 -42.53 83.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.677 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.643 ' O ' ' HG2' ' A' 1291 ' ' GLN . 12.9 ptm -68.54 -24.9 64.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.042 0.449 . . . . 0.0 109.853 176.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . 0.678 ' HB1' ' HG3' ' A' 1298 ' ' ARG . . . -73.3 -8.71 56.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.151 0.501 . . . . 0.0 110.362 173.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -91.1 -27.63 17.96 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.153 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' 1288 ' ' MET . 29.4 pt20 -78.13 -12.58 60.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.211 0.529 . . . . 0.0 109.731 177.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . 0.482 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -85.44 115.98 63.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.36 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.6 Cg_exo -74.74 -27.66 10.35 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.068 2.512 . . . . 0.0 112.66 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 26.7 m -84.82 129.45 34.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.906 0.384 . . . . 0.0 111.038 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.66 -38.28 90.5 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.967 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.97 -38.92 76.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 0.0 110.384 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.94 -41.86 97.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.265 0.555 . . . . 0.0 109.802 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.678 ' HG3' ' HB1' ' A' 1289 ' ' ALA . 65.8 ttt180 -60.56 -43.05 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.461 174.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.36 79.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.021 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -58.54 -54.02 51.81 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.579 ' O ' ' HG ' ' A' 1305 ' ' LEU . 3.7 p -68.2 -34.38 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.032 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.573 ' HA ' HD12 ' A' 1305 ' ' LEU . 60.5 t -67.5 -30.76 49.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.69 0.281 . . . . 0.0 111.213 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 34.4 m -63.41 -38.1 89.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.853 0.359 . . . . 0.0 110.153 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -65.37 -42.11 93.07 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.369 0.604 . . . . 0.0 109.971 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.2 mt -58.3 -48.14 81.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.715 -176.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.24 -41.82 97.54 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.35 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -55.14 -45.43 82.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.609 -177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . 0.451 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -77.52 -36.06 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 122.62 -0.341 . . . . 0.0 110.465 179.131 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . 0.465 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 50.3 m -64.75 -46.96 79.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 111.281 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . 0.599 ' O ' ' HG3' ' A' 1314 ' ' LYS . 19.1 ptm -66.04 -38.33 88.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.225 -178.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 22.4 m -70.72 -35.19 72.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.245 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 38.9 t -62.56 -44.39 96.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.504 0.669 . . . . 0.0 109.336 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.533 ' O ' ' HG ' ' A' 1317 ' ' LEU . 64.0 m -58.43 -51.32 70.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.641 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' 1310 ' ' MET . 85.9 mttt -65.75 -32.87 74.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.155 -177.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.585 HD22 ' HA ' ' A' 1339 ' ' ALA . 46.3 tp -65.39 -46.96 78.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.996 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.552 ' O ' ' HG3' ' A' 1320 ' ' LYS . 99.4 mt -65.57 -32.74 74.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.777 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' 1313 ' ' SER . 95.8 mt -61.79 -35.25 77.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.002 0.429 . . . . 0.0 110.434 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.86 -36.23 75.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.343 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -65.58 -33.29 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.721 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . 0.607 ' HD2' HD11 ' A' 1213 ' ' LEU . 6.2 mtpm? -64.33 -47.72 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.129 0.49 . . . . 0.0 110.187 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . 0.424 ' C ' HD21 ' A' 1331 ' ' LEU . . . -66.5 -33.66 76.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.782 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' 1325 ' ' ASP . 24.6 tp -81.7 -16.81 50.03 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 10.0 p -85.39 -26.06 26.67 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.411 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 6.5 t -91.54 -30.27 16.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 109.913 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . 0.42 ' O ' HD12 ' A' 1322 ' ' LEU . 10.0 t70 -128.16 92.91 40.35 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.342 176.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -92.85 14.83 1.56 Allowed 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 122.793 2.328 . . . . 0.0 112.316 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -102.22 -42.71 5.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.732 -174.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 18.4 m -61.68 111.68 4.83 Favored Pre-proline 0 CA--C 1.533 0.296 0 O-C-N 123.293 0.37 . . . . 0.0 111.714 -175.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1328 ' ' SER . 21.8 Cg_exo -65.54 -31.78 50.06 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.021 2.481 . . . . 0.0 111.931 -178.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -62.76 -28.24 69.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.417 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . 0.424 HD21 ' C ' ' A' 1321 ' ' ALA . 20.5 tp -76.17 -34.41 59.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.441 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' 1260 ' ' SER . 4.4 mptp? -58.02 -53.05 62.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.16 0.505 . . . . 0.0 109.924 174.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 43.5 m -64.27 -39.57 94.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.146 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.79 -43.47 94.4 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.715 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . 0.449 HD22 ' HB2' ' A' 1260 ' ' SER . 9.7 tt -64.07 -48.19 77.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.988 177.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . 0.624 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -56.71 -39.55 74.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.236 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.93 99.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.166 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' 1342 ' ' VAL . . . -69.67 -37.68 76.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.497 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . 0.585 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.23 -43.72 98.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.794 177.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' 1336 ' ' ALA . 29.6 mmt180 -59.59 -41.92 91.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.194 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.57 99.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.977 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' 1346 ' ' ILE . 89.7 t -62.3 -52.91 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.457 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . 0.415 ' HA ' HD12 ' A' 1346 ' ' ILE . 25.7 m -61.76 -34.69 76.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 110.812 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.98 -46.52 84.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.536 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 48.8 m -72.79 -28.36 62.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.425 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' 1342 ' ' VAL . 91.7 mt -61.23 -54.43 35.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.947 0.403 . . . . 0.0 110.188 175.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 6.9 p30 -71.76 -28.87 63.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.298 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -60.88 -46.56 90.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.836 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.0 -52.06 67.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.205 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.449 ' CD1' ' HG ' ' A' 1242 ' ' LEU . 41.0 mm -62.35 -45.82 97.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.389 -177.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 50.2 m -69.48 -43.95 72.13 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 93.0 mmm -76.25 -27.23 56.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.605 0.241 . . . . 0.0 111.578 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . 0.461 ' HB3' ' HE1' ' A' 1288 ' ' MET . 94.7 m . . . . . 0 C--N 1.323 -0.561 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.442 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' 1207 ' ' ARG . 22.4 mmt180 . . . . . 0 C--O 1.224 -0.242 0 CA-C-O 120.438 0.161 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . 0.721 ' HA ' ' HB3' ' A' 1211 ' ' ASN . 23.4 m-20 -62.5 -22.73 66.5 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -174.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . . . . . . . . . 33.4 m -71.32 -28.66 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.885 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -83.53 -45.97 12.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.845 173.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . 0.721 ' HB3' ' HA ' ' A' 1208 ' ' ASP . 34.6 t30 -51.99 -43.6 63.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.096 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . 0.567 ' HB1' HD13 ' A' 1316 ' ' LEU . . . -53.81 -54.55 36.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.32 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' 1316 ' ' LEU . 59.2 mt -63.8 -39.61 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -58.87 -44.32 91.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.564 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.7 -48.74 53.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.58 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . . . . . . . . . 88.9 t -60.54 -42.75 92.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.97 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -70.11 -26.31 74.45 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.57 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' A' 1221 ' ' LYS . 14.0 t70 -83.87 -39.19 20.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.365 . . . . 0.0 110.969 -177.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . 0.452 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -63.05 -44.7 95.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.304 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . 0.588 ' O ' ' HB2' ' A' 1224 ' ' LEU . 15.0 p -67.96 -26.79 66.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.408 0.623 . . . . 0.0 110.294 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' 1218 ' ' ASP . 27.2 ttmt -69.16 -57.04 5.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.798 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -70.7 -54.06 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.927 -177.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.491 ' HB3' HG21 ' A' 1286 ' ' VAL . 83.5 mt -67.35 -42.59 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -169.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . 0.588 ' HB2' ' O ' ' A' 1220 ' ' SER . 4.6 mm? . . . . . 0 C--N 1.333 -0.147 0 CA-C-O 121.06 0.457 . . . . 0.0 112.057 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 121.317 0.579 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.62 -38.29 83.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.025 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -69.31 -30.12 68.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.102 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -68.0 -44.71 75.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.552 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 35.2 t -63.02 -35.48 80.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.677 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -61.73 -40.21 94.27 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.859 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . 0.469 HD12 ' SD ' ' A' 1288 ' ' MET . 1.0 OUTLIER -61.54 -38.99 89.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.656 176.414 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . 0.451 ' N ' HD22 ' A' 1243 ' ' ASN . 0.9 OUTLIER -66.84 -41.38 87.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.826 0.346 . . . . 0.0 110.458 -178.163 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.89 -50.9 71.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.288 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -66.33 -34.04 77.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.189 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.12 74.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.254 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.91 93.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.697 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.71 -44.3 96.55 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.102 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 26.0 tp -73.07 -35.15 66.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.77 0.319 . . . . 0.0 110.765 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -61.7 -40.16 94.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.12 0.486 . . . . 0.0 110.289 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' 1255 ' ' GLU . 23.7 tt0 -73.3 -33.2 65.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.276 176.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -62.0 -38.11 87.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.964 0.411 . . . . 0.0 110.43 176.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' 1257 ' ' VAL . . . -65.02 -39.3 93.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.135 0.493 . . . . 0.0 109.793 172.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 76.1 m -62.08 -37.82 86.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.713 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' 1251 ' ' GLN . 42.7 mm-40 -55.68 -49.83 71.9 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.992 174.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.472 ' HB3' HD21 ' A' 1335 ' ' LEU . 52.4 mt -62.21 -34.77 77.1 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.263 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' 1253 ' ' ALA . 80.6 t -62.2 -52.28 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.753 0.311 . . . . 0.0 110.703 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -61.7 -43.1 99.49 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.158 0.504 . . . . 0.0 110.587 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . 0.505 ' HB1' ' CA ' ' A' 1267 ' ' LEU . . . -67.88 -33.31 74.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.818 -178.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . 0.532 ' HA ' HD21 ' A' 1322 ' ' LEU . 35.5 t -61.12 -32.37 72.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.963 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -58.51 -29.68 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.385 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 137.42 91.88 0.28 Allowed Glycine 0 CA--C 1.499 -0.929 0 C-N-CA 120.117 -1.039 . . . . 0.0 115.449 162.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . 0.549 HG23 ' HB2' ' A' 1266 ' ' ASP . 0.0 OUTLIER -168.21 117.65 0.64 Allowed Pre-proline 0 N--CA 1.446 -0.625 0 CA-C-N 114.412 -0.894 . . . . 0.0 109.186 169.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' 1263 ' ' THR . 35.2 Cg_exo -60.57 -43.19 34.41 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.373 2.715 . . . . 0.0 113.253 -170.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -67.65 -28.49 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . 0.549 ' HB2' HG23 ' A' 1263 ' ' THR . 2.1 m-20 -75.34 -56.0 5.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.189 176.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.505 ' CA ' ' HB1' ' A' 1259 ' ' ALA . 47.1 tp -54.79 -50.77 67.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.591 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -61.61 -51.86 66.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.107 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . 0.665 ' HA ' ' HE ' ' A' 1269 ' ' ARG . 1.0 OUTLIER -61.6 -36.54 81.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.704 -179.363 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.68 95.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.637 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 16.6 m -59.8 -47.15 86.86 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.293 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -62.79 -34.44 89.75 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.632 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -75.7 -42.76 50.09 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.545 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . 0.409 ' CD2' HD21 ' A' 1316 ' ' LEU . 68.0 t80 -57.37 -47.03 82.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.617 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -66.38 -28.85 73.98 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.185 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -75.02 -51.91 12.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.09 -29.84 70.6 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.691 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.558 ' HE1' ' HA ' ' A' 1309 ' ' SER . 83.0 t80 -57.18 -47.68 80.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.048 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 91.0 p -63.75 -40.34 96.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.342 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 19.2 m -62.22 -37.14 84.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.226 0.536 . . . . 0.0 110.558 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . 0.419 ' HE2' HG21 ' A' 1308 ' ' ILE . 74.2 t80 -71.63 -51.16 24.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.753 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' 1286 ' ' VAL . 28.5 tp -61.64 -44.2 97.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.358 -175.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.56 -44.97 89.88 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.646 0.26 . . . . 0.0 111.277 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.1 99.66 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.028 0.442 . . . . 0.0 110.621 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.56 -45.62 95.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.183 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' 1223 ' ' LEU . 92.6 t -65.69 -36.01 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.437 0.16 . . . . 0.0 110.923 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' 1291 ' ' GLN . 36.6 tt0 -61.26 -45.98 92.24 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.602 0.239 . . . . 0.0 110.623 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.494 ' HE1' ' HB2' ' A' 1353 ' ' CYS . 21.0 ptm -78.23 -26.82 47.5 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.985 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -68.17 -35.15 77.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.962 0.411 . . . . 0.0 110.426 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -71.67 -13.07 74.65 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.944 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' 1287 ' ' GLU . 9.6 pt20 -114.8 12.81 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.843 0.354 . . . . 0.0 111.334 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -72.18 123.81 89.99 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.914 174.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 22.8 Cg_exo -64.87 -55.83 0.46 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.144 2.562 . . . . 0.0 113.363 -174.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . 0.427 ' HB2' ' HB3' ' A' 1297 ' ' ASP . 16.2 m -76.97 128.2 34.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.703 -177.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -64.42 -33.69 76.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.809 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.69 -45.3 79.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.475 0.655 . . . . 0.0 109.707 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' A' 1294 ' ' SER . 34.8 t70 -64.25 -42.57 96.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.345 178.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.483 ' HA ' HG12 ' A' 1301 ' ' VAL . 71.5 ttt180 -63.82 -43.37 96.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.619 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.94 80.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.863 0.363 . . . . 0.0 110.527 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -63.59 -53.44 51.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.821 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.67 ' HA ' ' ND2' ' A' 1304 ' ' ASN . 12.2 p -63.34 -32.19 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.284 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.592 ' HA ' HD12 ' A' 1305 ' ' LEU . 72.9 t -69.41 -35.57 67.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.017 0.437 . . . . 0.0 110.682 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 12.7 t -68.09 -36.71 80.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.026 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . 0.67 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 41.7 m-20 -59.13 -40.12 84.46 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.235 0.541 . . . . 0.0 109.604 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.637 HD23 HD11 ' A' 1349 ' ' LEU . 89.5 mt -58.05 -42.67 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.523 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -67.86 -41.86 82.25 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.361 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.11 -45.13 63.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.436 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . 0.585 HG13 HG12 ' A' 1346 ' ' ILE . 0.0 OUTLIER -78.95 -41.1 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.972 179.416 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . 0.558 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 68.3 m -59.11 -46.71 87.61 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.744 0.306 . . . . 0.0 111.031 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . . . . . . . . . 51.1 mtm -58.82 -53.09 62.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.861 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 42.2 m -59.52 -38.76 81.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.314 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 50.8 m -65.7 -39.99 91.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.404 0.621 . . . . 0.0 110.069 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' 1317 ' ' LEU . 48.9 m -62.07 -50.97 69.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.386 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.596 ' HA ' HD12 ' A' 1317 ' ' LEU . 49.4 mttm -61.65 -32.67 72.85 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.33 -178.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.407 HD23 ' CZ ' ' A' 1274 ' ' PHE . 41.6 tp -65.89 -48.93 69.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 110.928 177.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.567 HD13 ' HB1' ' A' 1212 ' ' ALA . 79.9 mt -66.01 -26.57 67.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.24 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' 1314 ' ' LYS . 95.0 mt -59.87 -27.66 66.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.776 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.81 57.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.184 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.46 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -51.38 -50.07 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.777 174.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -78.35 -29.01 47.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.429 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' 1260 ' ' SER . 36.1 tp -78.09 -21.55 50.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.574 -175.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 21.5 p -74.4 -28.95 61.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.101 0.477 . . . . 0.0 110.452 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 17.3 p -92.53 -30.44 15.67 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 176.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . 0.466 ' O ' HD12 ' A' 1322 ' ' LEU . 10.4 t70 -127.69 89.83 49.82 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.156 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -92.09 16.57 1.42 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.63 2.22 . . . . 0.0 112.203 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -105.91 -39.14 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.028 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 23.6 m -62.74 115.31 16.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.925 0.393 . . . . 0.0 111.503 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 21.7 Cg_exo -64.89 -33.95 50.54 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.079 2.519 . . . . 0.0 112.043 -178.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -63.43 -25.96 68.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.749 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 14.6 tp -76.02 -30.65 58.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.875 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.3 mptm? -62.16 -47.35 84.93 Favored 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 10.0 m -62.12 -36.56 82.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.207 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.36 -46.29 87.23 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 110.338 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.1 tt -67.01 -46.75 73.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.299 -179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -55.86 -42.28 75.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.051 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.86 86.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.024 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.05 -35.27 79.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -61.57 -39.92 92.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.638 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' 1336 ' ' ALA . 36.4 mmt180 -60.42 -40.5 91.22 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 177.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.63 94.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.726 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' 1338 ' ' ALA . 79.8 t -65.49 -52.3 53.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.68 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 41.8 m -56.22 -46.7 79.42 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.039 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.06 -45.47 94.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.222 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 27.5 m -65.29 -37.7 87.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.131 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.585 HG12 HG13 ' A' 1308 ' ' ILE . 79.9 mt -61.83 -53.23 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.031 0.443 . . . . 0.0 110.378 177.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -64.04 -37.73 88.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.852 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -62.32 -36.12 81.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.635 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.661 ' HG ' ' CB ' ' A' 1304 ' ' ASN . 2.8 tt -64.83 -50.89 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.618 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 37.4 mm -63.29 -44.34 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.159 -177.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 95.8 m -56.3 -36.6 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 111.204 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 21.9 mmt -78.12 -46.75 19.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.578 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . 0.618 ' SG ' ' HA ' ' A' 1350 ' ' ILE . 28.7 p . . . . . 0 C--O 1.233 0.203 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -174.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.637 0.256 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.05 -31.38 71.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.563 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 29.7 m -80.58 -27.88 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.368 -176.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -82.77 -44.5 15.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 9.9 t30 -60.15 -33.94 72.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.585 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' 1216 ' ' VAL . . . -59.63 -47.24 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.648 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . 0.596 HD21 ' HB2' ' A' 1316 ' ' LEU . 25.7 mt -64.82 -35.65 81.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.721 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -59.74 -43.55 94.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.969 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.68 -46.62 71.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.25 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.538 HG13 ' CE2' ' A' 1278 ' ' PHE . 76.6 t -60.6 -48.6 87.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.062 0.458 . . . . 0.0 110.865 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.79 -39.24 97.23 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.076 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.26 -48.8 79.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.47 . . . . 0.0 110.64 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . 0.554 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -61.94 -49.15 77.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.176 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . 0.53 ' O ' ' HB3' ' A' 1224 ' ' LEU . 24.5 t -65.47 -24.56 67.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.952 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 57.1 tptt -78.24 -57.77 3.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.859 0.361 . . . . 0.0 111.016 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -73.75 -54.57 7.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.896 -173.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.452 ' HB3' HG21 ' A' 1286 ' ' VAL . 57.4 mt -63.29 -39.35 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.863 -171.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' 1220 ' ' SER . 14.6 tp . . . . . 0 N--CA 1.441 -0.897 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.157 -173.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.728 0.299 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -62.88 -49.39 75.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.1 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -61.38 -36.3 79.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.058 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . 0.805 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 61.7 tt0 -62.76 -51.91 65.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.033 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . 0.506 ' O ' ' HG2' ' A' 1244 ' ' GLU . 8.8 m -60.21 -36.05 76.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.368 0.604 . . . . 0.0 109.981 177.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -66.09 -44.63 83.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.893 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . 0.564 HD22 ' HB1' ' A' 1284 ' ' ALA . 2.7 mm? -65.63 -35.6 81.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -62.66 -42.7 99.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.759 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' 1240 ' ' SER . 29.7 mm-40 -65.73 -44.99 84.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.366 0.603 . . . . 0.0 110.164 178.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -69.25 -42.16 75.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.725 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . 0.512 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -60.3 -53.84 52.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.989 -176.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.52 97.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.864 0.364 . . . . 0.0 111.002 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.45 94.28 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.041 178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 26.0 tp -71.01 -34.61 71.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.488 0.185 . . . . 0.0 110.757 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -59.62 -44.54 93.4 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 110.552 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' 1255 ' ' GLU . 27.1 tt0 -72.62 -32.63 66.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.226 176.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.32 91.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.92 0.391 . . . . 0.0 110.945 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' 1257 ' ' VAL . . . -63.77 -41.57 97.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.33 0.586 . . . . 0.0 110.006 174.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 95.7 m -62.83 -33.66 75.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.158 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' 1251 ' ' GLN . 13.0 mm-40 -59.14 -41.72 88.96 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.712 176.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.58 ' HB3' HD21 ' A' 1335 ' ' LEU . 36.3 mt -67.06 -31.92 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.713 176.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' 1253 ' ' ALA . 60.6 t -63.87 -50.29 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.796 178.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -73.31 -29.08 62.45 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.531 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.69 94.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.463 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . 0.579 ' OG ' ' HA ' ' A' 1332 ' ' LYS . 14.8 t -56.51 -27.54 57.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.997 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -107.77 24.21 13.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.712 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -129.6 -99.64 0.9 Allowed Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.974 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 71.0 p -140.99 154.07 67.95 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.591 0.195 . . . . 0.0 111.101 -173.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.44 -34.35 88.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.887 2.392 . . . . 0.0 112.599 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -73.48 -26.76 61.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.547 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.45 -44.06 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.703 HD21 HD23 ' A' 1322 ' ' LEU . 5.4 mp -58.54 -42.1 87.05 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.662 174.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -57.35 -54.87 41.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.243 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' 1269 ' ' ARG . 37.1 ttp180 -56.33 -42.98 78.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.118 0.485 . . . . 0.0 110.317 177.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.96 99.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.13 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 32.8 m -64.47 -41.77 96.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.938 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -65.41 -45.9 88.3 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.438 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -63.05 -48.67 77.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 72.8 t80 -57.18 -48.57 78.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.973 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -67.24 -44.81 85.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.853 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.31 -42.51 83.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.92 -177.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.7 -35.58 67.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.538 ' CE2' HG13 ' A' 1216 ' ' VAL . 68.6 t80 -61.68 -39.84 92.87 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 176.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . 0.613 ' O ' ' HG3' ' A' 1283 ' ' GLU . 50.2 m -55.26 -48.8 73.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.385 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 12.5 m -68.37 -35.88 78.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.776 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . 0.45 ' HE2' HG21 ' A' 1308 ' ' ILE . 77.9 t80 -61.19 -47.28 86.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.717 177.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.554 HD23 ' HB1' ' A' 1219 ' ' ALA . 29.7 tp -68.38 -37.39 80.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -177.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' 1279 ' ' SER . 86.8 mt-10 -57.53 -43.73 84.56 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.041 0.448 . . . . 0.0 110.035 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . 0.564 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -68.45 -36.13 78.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.814 177.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . 0.427 ' HA3' HD21 ' A' 1305 ' ' LEU . . . -63.62 -45.33 94.84 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.372 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' 1282 ' ' LEU . 33.1 t -69.88 -28.67 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.126 0.489 . . . . 0.0 109.957 177.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . 0.452 ' HB3' ' O ' ' A' 1284 ' ' ALA . 42.2 tt0 -59.73 -41.83 91.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.775 173.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.421 ' O ' ' HG3' ' A' 1291 ' ' GLN . 83.4 mmm -59.29 -47.4 85.52 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.489 174.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -58.66 -37.3 75.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.253 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -70.23 -39.51 71.58 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.862 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' 1288 ' ' MET . 0.0 OUTLIER -82.62 -13.49 56.41 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.629 -0.336 . . . . 0.0 111.448 -176.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -59.44 129.26 86.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.165 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.44 -64.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.861 2.374 . . . . 0.0 112.708 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 16.4 m -89.95 144.56 25.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.384 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . 0.606 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 53.7 mt-30 -74.75 -11.41 60.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.358 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.26 -38.51 65.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 173.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -72.75 -36.15 67.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.606 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 34.2 ttt180 -62.2 -45.72 92.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.225 175.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.77 81.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.595 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -61.92 -51.49 67.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.323 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.602 ' O ' ' HG ' ' A' 1305 ' ' LEU . 13.1 p -64.15 -35.15 72.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.944 -177.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.521 ' HA ' HD12 ' A' 1305 ' ' LEU . 62.9 t -69.25 -36.68 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 50.3 m -62.21 -38.42 89.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.54 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . 0.696 ' HB2' HD23 ' A' 1349 ' ' LEU . 40.0 m-20 -64.1 -43.02 96.64 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.248 0.547 . . . . 0.0 109.581 175.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.5 mt -57.54 -49.69 75.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.939 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -59.39 -45.64 90.9 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.27 -48.52 63.67 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.273 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' 1308 ' ' ILE . 0.1 OUTLIER -73.73 -36.64 47.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.903 0.352 . . . . 0.0 110.274 -179.266 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 48.8 m -63.35 -42.26 98.9 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . 0.489 ' O ' ' HG3' ' A' 1314 ' ' LYS . 26.2 ptt? -72.11 -36.93 69.57 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.204 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 48.0 m -67.8 -41.46 83.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.997 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 29.6 p -64.53 -39.68 94.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.457 0.646 . . . . 0.0 109.937 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.544 ' O ' ' HG ' ' A' 1317 ' ' LEU . 64.6 m -61.34 -50.98 70.73 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.925 176.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' 1317 ' ' LEU . 57.2 mttm -63.74 -29.78 70.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.813 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' 1339 ' ' ALA . 35.3 tp -67.12 -50.63 60.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.698 175.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.596 ' HB2' HD21 ' A' 1213 ' ' LEU . 87.9 mt -64.66 -26.96 68.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.477 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 1313 ' ' SER . 92.1 mt -58.33 -38.53 77.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.702 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -74.9 -34.16 62.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.44 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.17 96.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.829 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . 0.563 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 27.8 mtmt -63.34 -44.28 95.31 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.219 0.533 . . . . 0.0 110.872 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.31 93.34 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.721 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.703 HD23 HD21 ' A' 1267 ' ' LEU . 33.1 tp -75.19 -23.67 57.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.706 -176.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 9.1 p -79.75 -14.51 58.68 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.125 -0.359 . . . . 0.0 111.173 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 12.1 t -106.95 -22.02 12.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.056 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 8.5 t0 -135.98 86.89 25.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -86.16 0.87 8.07 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.441 2.094 . . . . 0.0 112.667 -178.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -89.15 -35.2 16.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . 0.471 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 49.7 m -64.45 113.14 9.48 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.052 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . 0.616 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 10.9 Cg_exo -71.3 -29.28 17.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.175 2.583 . . . . 0.0 112.78 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.18 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 111.018 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.03 -28.41 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.717 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.616 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 2.7 mptp? -66.99 -51.67 52.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 2.3 m -61.75 -42.92 99.6 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.73 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.03 -38.95 92.55 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.946 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . 0.58 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.0 tt -66.7 -49.22 66.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.21 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.98 76.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -68.92 -33.9 74.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' 1342 ' ' VAL . . . -73.65 -39.79 64.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.694 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . 0.48 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -62.62 -37.2 85.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.153 0.501 . . . . 0.0 110.334 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -60.61 -39.96 90.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.596 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.7 90.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.768 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' 1346 ' ' ILE . 95.5 t -60.75 -50.9 78.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.774 178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 62.2 m -52.41 -45.39 65.89 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.359 0.412 . . . . 0.0 111.524 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.74 -51.99 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.384 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 5.8 p -66.82 -31.15 71.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.085 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.576 ' O ' HG12 ' A' 1350 ' ' ILE . 74.3 mt -59.21 -50.49 79.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -71.33 -29.12 64.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.779 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -62.33 -38.46 89.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.265 0.555 . . . . 0.0 110.053 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.696 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.4 tm? -70.91 -42.53 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.394 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' 1346 ' ' ILE . 35.9 mm -65.6 -27.15 40.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.35 -178.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 62.0 m -60.85 -30.59 70.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.265 0.555 . . . . 0.0 110.508 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . 0.434 ' HG2' ' HB ' ' A' 1301 ' ' VAL . 45.4 tpp -78.4 -34.33 48.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.512 177.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . 0.805 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 37.3 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.687 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' 1207 ' ' ARG . 1.5 mmp_? . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 120.545 0.212 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.5 -41.16 84.71 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.595 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.527 ' HB ' ' CD ' ' A' 1320 ' ' LYS . 2.3 m -83.98 -26.7 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.798 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -80.84 -53.86 6.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.787 0.327 . . . . 0.0 111.122 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -65.58 -27.08 68.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -57.9 -34.88 70.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.032 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 39.4 mt -72.15 -34.93 68.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -75.69 -35.4 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.383 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.58 80.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.982 0.42 . . . . 0.0 110.488 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.566 HG13 ' CE2' ' A' 1278 ' ' PHE . 96.9 t -68.67 -39.02 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.347 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.69 -54.32 32.17 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.946 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . 0.541 ' HA ' ' HE2' ' A' 1221 ' ' LYS . 52.2 m-20 -54.71 -46.99 74.28 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.705 0.288 . . . . 0.0 110.995 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . 0.454 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -60.78 -47.78 84.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . 0.514 ' HA ' HD23 ' A' 1224 ' ' LEU . 11.7 p -68.32 -39.13 82.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.691 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' 1218 ' ' ASP . 44.5 mtmt -62.09 -38.25 88.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.75 0.31 . . . . 0.0 110.954 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -77.2 -60.16 2.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.36 0.6 . . . . 0.0 110.794 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.72 ' HB3' HG21 ' A' 1286 ' ' VAL . 85.0 mt -65.8 -44.34 85.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.916 -168.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' 1220 ' ' SER . 4.1 mm? . . . . . 0 C--N 1.332 -0.153 0 CA-C-O 121.12 0.486 . . . . 0.0 111.848 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 C--O 1.227 -0.12 0 CA-C-O 120.415 0.15 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -54.68 -46.36 74.08 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.03 81.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.742 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -64.41 -52.96 55.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.424 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 28.4 m -60.49 -30.79 69.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.039 0.447 . . . . 0.0 110.549 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -74.59 -33.96 62.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.378 0.608 . . . . 0.0 109.585 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . 0.45 HD21 ' CD1' ' A' 1349 ' ' LEU . 28.7 tp -66.15 -39.34 89.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.126 176.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -56.54 -44.53 80.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.975 0.417 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.18 -39.61 93.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.069 177.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . 0.587 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -66.43 -36.91 83.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.115 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.17 -52.66 64.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.24 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.27 74.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.203 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.18 -49.24 41.29 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.1 tp -69.86 -29.31 66.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.568 0.223 . . . . 0.0 111.0 -176.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -56.71 -46.1 81.45 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.949 0.404 . . . . 0.0 110.307 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' 1255 ' ' GLU . 24.1 tt0 -75.48 -31.71 60.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.371 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.68 87.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.83 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.62 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.152 0.501 . . . . 0.0 110.184 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 92.9 m -65.83 -33.91 76.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.079 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' 1251 ' ' GLN . 35.9 mm-40 -58.81 -40.03 82.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.014 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.783 ' HB3' HD21 ' A' 1335 ' ' LEU . 17.2 mt -64.25 -37.02 86.0 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.603 176.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 48.5 t -64.5 -48.5 84.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.985 0.421 . . . . 0.0 110.403 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -64.71 -33.99 77.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.598 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.38 89.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.919 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . 0.673 ' HB3' ' HG3' ' A' 1332 ' ' LYS . 41.4 m -65.59 -23.58 66.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.326 0.584 . . . . 0.0 110.718 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -97.23 7.6 46.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.459 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -122.9 -97.98 1.37 Allowed Glycine 0 N--CA 1.437 -1.275 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.613 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' 1264 ' ' PRO . 16.8 p -133.42 158.38 75.78 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.648 0.261 . . . . 0.0 111.081 -174.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . 0.435 ' HA ' HD12 ' A' 1267 ' ' LEU . 10.8 Cg_endo -57.1 -28.66 79.96 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.064 2.509 . . . . 0.0 112.163 174.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -78.04 -28.52 49.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.205 -175.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.75 -42.42 95.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.512 HD11 HD22 ' A' 1322 ' ' LEU . 66.6 mt -58.82 -36.25 74.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.308 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -63.79 -55.28 24.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.712 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -60.05 -41.52 92.5 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.853 0.359 . . . . 0.0 110.449 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.4 83.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.096 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 2.5 m -58.53 -48.31 81.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.359 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.68 -40.0 98.11 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.859 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -65.7 -53.55 39.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.723 0.297 . . . . 0.0 110.58 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -58.19 -45.58 87.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.196 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.79 -42.19 98.61 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.483 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -69.72 -44.25 70.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.075 0.464 . . . . 0.0 110.851 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 6.8 t70 -70.52 -33.63 71.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.655 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.566 ' CE2' HG13 ' A' 1216 ' ' VAL . 86.7 t80 -57.74 -36.16 71.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.044 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 18.0 m -60.08 -43.95 95.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.402 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 7.0 m -62.87 -35.23 79.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.829 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . 0.587 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 76.0 t80 -76.12 -55.01 5.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.332 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' 1286 ' ' VAL . 33.4 tp -60.7 -46.43 90.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.439 -172.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . 0.489 ' HG2' HD11 ' A' 1223 ' ' LEU . 44.9 mt-10 -58.85 -42.68 89.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.257 -0.177 . . . . 0.0 111.044 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.15 89.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.94 0.4 . . . . 0.0 111.036 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . 0.421 ' HA2' HD22 ' A' 1242 ' ' LEU . . . -63.11 -46.44 93.29 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.453 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.72 HG21 ' HB3' ' A' 1223 ' ' LEU . 42.5 t -68.58 -35.97 72.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.792 0.33 . . . . 0.0 110.701 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' 1291 ' ' GLN . 37.9 tt0 -58.96 -52.98 63.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.788 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' 1288 ' ' MET . 19.8 ptm -67.62 -26.64 66.34 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.721 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.84 93.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.989 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -72.11 -20.63 79.14 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.026 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' 1287 ' ' GLU . 14.8 mm100 -83.76 -6.27 59.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.78 0.324 . . . . 0.0 110.813 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -64.0 121.87 73.98 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.274 178.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 25.6 Cg_exo -64.05 -58.76 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 123.009 2.472 . . . . 0.0 113.065 -176.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . 0.477 ' HB2' ' OD1' ' A' 1297 ' ' ASP . 21.0 m -78.0 148.81 34.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.519 -174.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -62.34 -52.61 62.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.722 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -63.61 -38.79 92.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . 0.477 ' OD1' ' HB2' ' A' 1294 ' ' SER . 4.9 m-20 -61.22 -45.04 96.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.095 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' 1302 ' ' VAL . 42.1 ttt180 -63.25 -45.98 89.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.674 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -67.01 -35.09 79.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.764 0.316 . . . . 0.0 111.266 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -65.82 -45.37 82.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.581 ' O ' ' HG ' ' A' 1305 ' ' LEU . 7.5 p -68.93 -33.12 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.111 -178.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.576 ' HA ' HD12 ' A' 1305 ' ' LEU . 85.4 t -69.58 -33.79 58.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.2 p -64.93 -39.25 93.22 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.266 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . 0.802 ' HB2' HD23 ' A' 1349 ' ' LEU . 41.4 m-80 -62.39 -37.11 84.5 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.298 0.571 . . . . 0.0 109.904 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' 1301 ' ' VAL . 90.5 mt -61.03 -38.53 86.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.434 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -47.12 80.09 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -50.89 -48.07 46.02 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.715 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -37.93 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.249 -178.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 56.2 p -69.88 -37.55 76.07 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 122.139 -0.35 . . . . 0.0 111.224 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . . . . . . . . . 89.0 mmm -70.68 -42.56 70.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.657 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . 0.631 ' HA ' ' HG2' ' A' 1314 ' ' LYS . 50.0 m -66.3 -35.4 80.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.121 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 5.7 p -69.95 -36.12 75.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.252 0.549 . . . . 0.0 110.039 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.406 ' O ' ' HG ' ' A' 1317 ' ' LEU . 70.6 m -61.0 -51.71 68.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.545 174.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.631 ' HG2' ' HA ' ' A' 1311 ' ' SER . 16.2 ptpt -72.07 -25.79 61.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.925 -176.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.574 HD22 ' HA ' ' A' 1339 ' ' ALA . 18.9 tp -63.05 -49.54 74.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 173.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.583 ' O ' ' HE2' ' A' 1320 ' ' LYS . 69.9 mt -61.88 -34.81 76.69 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.833 -177.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' 1313 ' ' SER . 92.9 mt -54.37 -42.29 70.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 110.67 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.77 88.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.593 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . 0.454 ' HA ' HD12 ' A' 1335 ' ' LEU . . . -60.83 -41.19 95.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.602 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . 0.583 ' HE2' ' O ' ' A' 1316 ' ' LEU . 43.4 mmtt -59.69 -52.43 65.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.32 93.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.56 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.963 ' HG ' ' HB3' ' A' 1331 ' ' LEU . 0.7 OUTLIER -72.21 -32.93 67.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.943 -176.22 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 60.9 p -70.2 -28.9 65.66 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.915 -0.491 . . . . 0.0 110.609 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 12.4 p -83.87 -34.65 24.54 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.869 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -132.49 94.92 21.38 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.931 0.395 . . . . 0.0 110.301 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . 0.597 ' HA ' HD23 ' A' 1322 ' ' LEU . 69.6 Cg_endo -91.67 18.13 1.23 Allowed 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 122.627 2.218 . . . . 0.0 112.047 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -101.11 -18.19 16.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.94 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.1 m -80.54 114.37 47.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.87 -31.49 47.52 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.581 2.187 . . . . 0.0 111.47 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 39.4 t30 -62.14 -34.73 76.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.109 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . 0.963 ' HB3' ' HG ' ' A' 1322 ' ' LEU . 6.9 mp -68.09 -41.05 82.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.673 ' HG3' ' HB3' ' A' 1260 ' ' SER . 2.3 mptm? -61.05 -48.74 80.38 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.697 0.284 . . . . 0.0 110.46 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 18.6 t -63.36 -38.62 91.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.169 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -59.92 -53.83 53.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.723 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . 0.783 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.6 tt -60.14 -48.47 81.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.536 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -57.53 -37.97 73.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.75 0.309 . . . . 0.0 111.624 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.17 -48.5 67.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.753 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.97 -35.48 78.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.092 -179.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . 0.574 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.84 -44.62 96.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.927 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . 0.85 ' HE ' ' HA ' ' A' 1340 ' ' ARG . 1.3 mmp_? -67.82 -32.51 73.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.299 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.4 99.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.33 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' 1338 ' ' ALA . 95.7 t -61.31 -51.65 70.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.2 176.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 33.9 m -56.76 -45.52 82.0 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.32 -41.7 98.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.823 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 21.1 m -65.85 -38.57 89.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.561 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.489 ' O ' HG12 ' A' 1350 ' ' ILE . 87.6 mt -59.24 -52.02 65.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.903 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -55.33 -50.07 70.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -59.55 -41.31 89.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.988 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.802 HD23 ' HB2' ' A' 1304 ' ' ASN . 2.7 tm? -63.86 -47.39 80.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' 1346 ' ' ILE . 39.8 mm -65.75 -42.57 92.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.877 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 41.3 m -61.01 -41.29 96.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 18.3 tpt -70.57 -32.23 69.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.432 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 69.4 m . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.785 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 N--CA 1.46 0.069 0 CA-C-O 120.709 0.29 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -36.53 84.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.244 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.621 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 2.0 t -79.54 -35.77 17.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.992 0.425 . . . . 0.0 109.87 -177.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.73 -37.61 82.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.269 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 62.5 t30 -64.53 -39.92 94.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.07 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.19 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.5 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . 0.63 HD21 ' HB2' ' A' 1316 ' ' LEU . 46.7 mt -63.64 -35.37 80.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.073 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' 1214 ' ' ARG . 23.2 ttp85 -62.87 -39.1 93.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.049 177.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -69.91 -42.96 72.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.513 HG13 ' CE2' ' A' 1278 ' ' PHE . 96.5 t -64.23 -47.41 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.139 0.495 . . . . 0.0 110.323 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.56 -34.0 88.74 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.975 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.01 -47.43 83.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . 0.659 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -64.61 -37.41 87.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 40.9 t -61.56 -47.8 83.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.028 0.442 . . . . 0.0 110.224 175.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 24.1 tptm -65.59 -35.98 82.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.27 0.557 . . . . 0.0 110.91 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -76.3 -41.15 49.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.691 -174.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.871 ' HB3' HG21 ' A' 1286 ' ' VAL . 58.4 mt -107.15 -40.3 5.47 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -168.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 121.174 0.512 . . . . 0.0 110.994 -174.881 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.021 0.439 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -60.59 -48.39 82.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.013 178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -75.64 -30.02 59.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.454 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -58.68 -55.84 29.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.187 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 19.4 m -61.18 -38.07 85.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.476 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -65.96 -44.7 84.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.356 -175.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.17 -45.59 92.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.664 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -60.18 -47.61 85.23 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.705 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -43.9 97.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.731 0.301 . . . . 0.0 111.228 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . 0.553 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -69.52 -36.29 76.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.136 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -58.35 -51.82 68.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.292 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.42 -32.89 72.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.023 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -67.76 -47.97 58.18 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.124 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . 0.476 HD12 ' HB3' ' A' 1252 ' ' ALA . 31.2 tp -69.65 -27.18 64.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.613 0.244 . . . . 0.0 110.854 -178.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -57.28 -43.87 83.49 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.856 0.36 . . . . 0.0 110.428 175.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.602 ' O ' ' HB ' ' A' 1254 ' ' THR . 44.4 tp60 -74.18 -35.43 63.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.601 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . 0.476 ' HB3' HD12 ' A' 1249 ' ' LEU . . . -61.16 -41.21 96.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.698 0.285 . . . . 0.0 110.921 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.66 -37.62 85.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.387 0.613 . . . . 0.0 109.787 173.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . 0.602 ' HB ' ' O ' ' A' 1251 ' ' GLN . 25.6 m -56.8 -39.83 74.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.303 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' 1251 ' ' GLN . 18.1 mm-40 -58.29 -41.12 83.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.123 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.537 ' HB3' HD21 ' A' 1335 ' ' LEU . 22.9 mt -64.22 -40.37 95.91 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.564 0.221 . . . . 0.0 110.596 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 44.8 t -60.57 -45.21 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.938 0.399 . . . . 0.0 110.425 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' 1254 ' ' THR . 25.6 mm-40 -65.45 -42.81 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.206 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -62.28 -32.66 73.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.364 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . . . . . . . . . 48.9 m -61.67 -28.62 69.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.183 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -102.28 13.86 33.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.272 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.47 -94.05 1.3 Allowed Glycine 0 N--CA 1.441 -1.019 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.936 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 14.3 p -136.85 156.15 76.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.455 0.169 . . . . 0.0 110.738 -174.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . 0.594 ' HA ' HD12 ' A' 1267 ' ' LEU . 24.2 Cg_exo -65.03 -26.87 58.03 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.581 2.187 . . . . 0.0 111.553 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -73.71 -38.19 64.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.56 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.37 -36.13 82.08 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' 1264 ' ' PRO . 55.1 mt -57.19 -50.71 71.99 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.818 173.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.11 92.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.122 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -63.82 -40.94 97.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.293 0.568 . . . . 0.0 110.2 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -65.41 -27.41 68.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.121 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . 0.496 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 19.8 m -62.21 -46.52 88.52 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.823 0.344 . . . . 0.0 110.618 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . 0.522 ' O ' ' HG2' ' A' 1276 ' ' GLN . . . -69.0 -43.76 71.1 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.159 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -61.72 -32.75 73.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.303 -0.448 . . . . 0.0 111.347 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . 0.436 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 92.2 t80 -76.22 -48.71 19.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.653 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.05 -41.11 99.67 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.184 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' 1272 ' ' GLY . 3.6 pt20 -64.25 -45.14 89.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.059 0.456 . . . . 0.0 111.229 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.96 -38.18 85.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.376 -177.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' 1309 ' ' SER . 62.1 t80 -54.32 -42.18 69.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.342 178.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 7.6 t -60.15 -42.83 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 24.2 m -57.69 -40.95 80.63 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.842 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . 0.553 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 85.7 t80 -71.13 -51.54 24.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.268 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.659 HD23 ' HB1' ' A' 1219 ' ' ALA . 31.5 tp -62.2 -43.93 97.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.364 -174.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.31 -31.28 71.12 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.825 0.345 . . . . 0.0 111.051 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -72.43 -38.16 68.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . 0.469 ' O ' ' HG2' ' A' 1288 ' ' MET . . . -68.19 -32.99 77.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.137 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' 1223 ' ' LEU . 56.8 t -72.16 -26.28 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.121 0.486 . . . . 0.0 110.346 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -62.13 -43.53 98.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.817 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.751 ' O ' ' HG2' ' A' 1291 ' ' GLN . 17.2 ptm -76.72 -23.68 53.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.726 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . 0.458 ' HA ' HG11 ' A' 1301 ' ' VAL . . . -62.3 -24.89 67.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.233 0.54 . . . . 0.0 109.988 172.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -76.63 -40.96 25.65 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.683 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.751 ' HG2' ' O ' ' A' 1288 ' ' MET . 25.2 pt20 -63.15 -24.4 67.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.702 0.251 . . . . 0.0 110.894 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -54.15 113.31 4.88 Favored Pre-proline 0 C--O 1.232 0.163 0 O-C-N 123.822 0.701 . . . . 0.0 111.434 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -77.03 -25.62 8.62 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.561 2.174 . . . . 0.0 112.148 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 13.9 m -114.79 145.87 41.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.79 -28.57 69.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.438 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -58.44 -45.58 88.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.29 -39.0 60.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 110.098 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.494 ' O ' HG23 ' A' 1302 ' ' VAL . 72.7 ttt180 -58.78 -51.53 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.728 178.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.24 -43.92 92.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.522 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -57.58 -53.32 59.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.441 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.614 ' O ' ' HG ' ' A' 1305 ' ' LEU . 14.5 p -64.84 -35.81 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.011 -176.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' 1298 ' ' ARG . 73.2 t -63.79 -42.26 95.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 120.429 0.157 . . . . 0.0 111.207 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.0 p -70.46 -28.0 64.66 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . 0.53 ' HB3' ' HG ' ' A' 1349 ' ' LEU . 80.5 m-20 -66.85 -46.5 74.83 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.413 0.625 . . . . 0.0 109.358 172.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' 1301 ' ' VAL . 87.3 mt -60.48 -42.95 97.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.453 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.388 173.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.73 -53.37 44.43 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.24 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . 0.519 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -72.05 -36.91 58.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.229 -177.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . 0.515 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 37.2 p -65.02 -45.63 84.71 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.754 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . 0.472 ' O ' ' HD3' ' A' 1314 ' ' LYS . 49.5 mtt -67.72 -39.27 84.32 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.886 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 66.6 m -58.84 -41.29 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.378 . . . . 0.0 110.455 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 43.9 m -65.94 -38.87 89.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.467 0.651 . . . . 0.0 109.919 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.525 ' O ' ' HG ' ' A' 1317 ' ' LEU . 58.6 m -62.16 -51.59 67.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.683 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.604 ' HA ' HD12 ' A' 1317 ' ' LEU . 0.2 OUTLIER -61.46 -33.68 74.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.769 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 34.9 tp -61.83 -51.34 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.71 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.63 ' HB2' HD21 ' A' 1213 ' ' LEU . 99.4 mt -65.72 -30.1 70.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.067 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' 1314 ' ' LYS . 94.6 mt -59.1 -42.67 91.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.78 0.324 . . . . 0.0 110.342 175.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -68.71 -35.37 77.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.237 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.12 92.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.156 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . 0.621 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 46.6 mtmt -58.26 -50.78 72.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.263 0.554 . . . . 0.0 110.169 176.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.5 98.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.823 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.691 HD11 ' HD2' ' A' 1332 ' ' LYS . 28.0 tp -71.24 -31.39 67.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.728 -175.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 37.7 m -74.98 -19.97 59.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.979 0.419 . . . . 0.0 110.781 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 22.7 p -108.04 -4.12 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.139 0.495 . . . . 0.0 111.049 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -151.91 78.22 6.75 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.566 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -92.93 5.57 3.17 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.041 2.494 . . . . 0.0 114.198 -171.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -101.33 13.9 33.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 0.0 111.215 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 42.8 m -108.5 105.16 56.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.615 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.43 -37.84 96.16 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.307 2.671 . . . . 0.0 113.015 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -76.64 -17.63 59.05 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.292 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 16.8 tp -73.02 -31.36 64.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.691 ' HD2' HD11 ' A' 1322 ' ' LEU . 1.9 mptp? -63.18 -47.82 80.99 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 170.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 15.1 m -61.62 -41.64 97.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.289 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -62.56 -44.98 94.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.615 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.3 tt -61.62 -45.76 92.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . 0.663 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -58.54 -41.3 85.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.772 178.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.33 91.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.867 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.63 -36.04 82.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.598 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.55 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . 0.663 ' HG2' ' O ' ' A' 1336 ' ' ALA . 28.3 mmt180 -68.43 -33.96 75.13 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.73 79.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.867 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' 1338 ' ' ALA . 95.0 t -62.88 -52.62 57.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 176.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 74.1 m -62.05 -38.44 88.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.675 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . 0.602 ' O ' ' HG2' ' A' 1348 ' ' GLN . 14.4 t70 -57.13 -50.62 72.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.809 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 17.5 m -64.56 -35.69 81.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.47 ' O ' HG12 ' A' 1350 ' ' ILE . 85.5 mt -59.89 -48.37 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.24 -40.94 97.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.062 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' 1344 ' ' ASP . 75.5 mm-40 -55.42 -35.96 65.95 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.612 178.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.53 ' HG ' ' HB3' ' A' 1304 ' ' ASN . 5.7 mt -69.82 -57.48 5.03 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.106 176.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' 1346 ' ' ILE . 48.8 mm -55.2 -43.03 68.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.467 -175.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 85.9 m -56.25 -39.18 72.18 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.556 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 25.3 mmt -81.02 -39.28 26.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.063 0.458 . . . . 0.0 110.908 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 60.0 m . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.485 -172.276 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.384 0.135 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -63.88 -36.06 82.7 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.542 HG23 ' HD2' ' A' 1320 ' ' LYS . 29.7 m -72.4 -28.88 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.405 0.622 . . . . 0.0 110.009 -175.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.21 -38.99 21.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.695 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 52.0 t30 -64.83 -34.66 78.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.648 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.75 78.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.74 -33.64 76.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 110.778 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' 1214 ' ' ARG . 14.3 ttp180 -64.88 -37.38 87.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.096 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.0 78.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.501 ' HA ' ' CE2' ' A' 1278 ' ' PHE . 95.9 t -63.84 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -68.48 -48.33 51.72 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.715 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -56.59 -52.06 66.26 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 122.348 0.259 . . . . 0.0 110.919 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . 0.499 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -56.82 -48.38 78.13 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.995 -177.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 25.0 t -60.36 -51.62 68.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.836 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -72.73 -38.26 67.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -174.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -73.11 -33.81 65.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.775 0.321 . . . . 0.0 111.123 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.772 ' HB3' HG21 ' A' 1286 ' ' VAL . 90.7 mt -89.62 -62.83 1.39 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.636 -176.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' 1224 ' ' LEU . 1.2 pp . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 121.323 0.582 . . . . 0.0 111.511 -175.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 120.814 0.34 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -66.2 -54.42 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.215 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -75.24 -40.67 58.79 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -174.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.62 -50.31 65.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.36 -177.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 20.2 m -66.27 -40.33 90.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.639 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -66.14 -38.47 88.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.875 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . 0.536 HD22 ' HB1' ' A' 1284 ' ' ALA . 1.9 mm? -54.77 -39.81 68.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.162 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -70.36 -46.35 64.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -175.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -47.48 81.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.069 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -65.48 -36.88 85.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.85 90.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.094 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.5 97.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.324 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.63 -38.54 96.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.214 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . 0.462 HD21 HD11 ' A' 1308 ' ' ILE . 29.9 tp -77.33 -32.96 55.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.681 0.277 . . . . 0.0 110.585 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -57.7 -51.98 67.33 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.454 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' A' 1255 ' ' GLU . 21.6 tt0 -66.56 -32.91 74.55 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.635 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -58.75 -41.56 86.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.946 0.403 . . . . 0.0 110.719 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.41 90.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.207 0.527 . . . . 0.0 110.063 175.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 78.1 m -59.19 -44.26 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.034 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' 1251 ' ' GLN . 43.3 mt-10 -65.02 -35.29 80.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.654 ' HB3' HD21 ' A' 1335 ' ' LEU . 13.7 mt -59.88 -43.13 94.91 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.687 0.279 . . . . 0.0 110.349 173.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 74.2 t -61.77 -43.62 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.724 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . 0.451 ' HA ' ' OE1' ' A' 1258 ' ' GLN . 12.8 mm-40 -66.05 -45.97 79.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.604 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.13 74.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.109 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . . . . . . . . . 70.9 m -52.93 -38.97 62.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.966 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -107.32 25.21 11.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.653 0.263 . . . . 0.0 111.315 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.44 -83.36 0.61 Allowed Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 55.7 p -139.83 144.86 40.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . 0.559 ' HA ' HD23 ' A' 1267 ' ' LEU . 49.8 Cg_exo -57.45 -30.4 87.97 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.622 2.215 . . . . 0.0 111.841 175.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -69.2 -31.24 69.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.019 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.76 -33.83 74.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.471 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' 1264 ' ' PRO . 3.7 mm? -53.0 -39.6 63.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.454 174.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -64.37 -45.98 85.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.967 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -57.99 -44.12 86.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.429 0.633 . . . . 0.0 109.503 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -67.82 -39.33 83.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.836 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . 0.412 ' OG ' HG12 ' A' 1209 ' ' VAL . 49.8 m -62.19 -43.32 99.09 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.555 -177.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.57 -44.98 96.35 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.155 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -65.69 -49.54 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.703 0.287 . . . . 0.0 111.136 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . 0.626 ' CZ ' HD23 ' A' 1315 ' ' LEU . 39.7 t80 -58.05 -40.65 81.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.258 -175.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -73.57 -34.23 57.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.446 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -73.51 -51.92 15.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.632 0.253 . . . . 0.0 111.206 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -63.76 -26.79 68.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.871 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.642 ' CE1' ' HA ' ' A' 1309 ' ' SER . 84.4 t80 -58.09 -50.15 74.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.358 175.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 10.7 m -56.35 -46.9 79.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 11.2 m -57.4 -46.17 83.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.005 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 91.0 t80 -66.88 -46.26 75.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.499 HD23 ' HB1' ' A' 1219 ' ' ALA . 23.0 tp -66.35 -38.53 87.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -176.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . 0.445 ' HG2' HD21 ' A' 1223 ' ' LEU . 48.4 mt-10 -62.95 -38.65 91.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.813 0.34 . . . . 0.0 110.688 176.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . 0.536 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -66.77 -33.9 76.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.103 176.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.38 -39.92 97.92 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.686 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.772 HG21 ' HB3' ' A' 1223 ' ' LEU . 47.1 t -67.32 -39.15 82.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.05 0.453 . . . . 0.0 110.019 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.34 -47.59 81.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.945 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.67 ' O ' ' HG2' ' A' 1291 ' ' GLN . 5.0 ptm -73.87 -24.97 59.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.183 0.516 . . . . 0.0 110.508 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . 0.734 ' HB1' ' HG3' ' A' 1298 ' ' ARG . . . -70.65 -8.15 49.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.401 0.62 . . . . 0.0 109.899 173.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -88.89 -35.89 8.05 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.103 174.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' 1288 ' ' MET . 20.8 pt20 -70.66 -20.91 62.66 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -59.42 117.21 20.31 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.273 176.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.0 Cg_exo -72.88 -16.8 25.91 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.984 2.456 . . . . 0.0 112.449 -175.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 19.2 m -121.59 142.66 49.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.25 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -66.7 -40.18 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.998 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.9 -40.24 94.78 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.43 -41.25 89.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.835 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.734 ' HG3' ' HB1' ' A' 1289 ' ' ALA . 12.7 ttp180 -64.71 -37.88 89.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.622 176.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -62.17 -37.8 86.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.977 0.417 . . . . 0.0 110.366 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -59.79 -51.78 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.249 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.593 ' O ' ' HG ' ' A' 1305 ' ' LEU . 6.9 p -67.54 -35.46 73.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.195 -177.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' 1298 ' ' ARG . 53.0 t -61.76 -39.83 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.721 0.296 . . . . 0.0 110.877 177.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 43.9 t -63.03 -41.15 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.777 0.322 . . . . 0.0 110.353 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . 0.523 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 34.7 m-20 -62.03 -39.8 93.54 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.334 0.588 . . . . 0.0 109.647 177.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.3 mt -64.57 -38.87 92.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.627 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -61.42 -38.41 87.03 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.59 -52.32 51.06 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.047 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . 0.462 HD11 HD21 ' A' 1249 ' ' LEU . 0.0 OUTLIER -71.62 -35.34 55.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.859 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . 0.642 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 66.3 m -60.9 -49.87 75.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.929 0.395 . . . . 0.0 110.827 177.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . 0.406 ' O ' ' HG3' ' A' 1314 ' ' LYS . 9.3 mmt -62.22 -46.28 89.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.866 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . 0.413 ' C ' HG22 ' A' 1342 ' ' VAL . 42.0 m -59.49 -41.26 89.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.636 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 39.0 t -63.32 -49.34 74.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.398 0.618 . . . . 0.0 110.014 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.412 ' O ' ' HG ' ' A' 1317 ' ' LEU . 42.2 t -52.09 -52.61 50.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.212 177.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' 1317 ' ' LEU . 62.5 mttm -73.52 -24.78 60.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.562 -174.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.626 HD23 ' CZ ' ' A' 1274 ' ' PHE . 38.0 tp -66.28 -42.96 87.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.138 0.494 . . . . 0.0 109.668 173.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.08 -33.8 76.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.729 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' 1314 ' ' LYS . 90.6 mt -59.36 -30.64 68.54 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.718 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.95 -40.99 75.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.214 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.99 76.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . 0.542 ' HD2' HG23 ' A' 1209 ' ' VAL . 19.0 mmmt -51.12 -56.34 13.22 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.547 175.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -73.12 -32.35 64.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.035 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' 1332 ' ' LYS . 30.4 tp -68.01 -24.19 65.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.196 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 16.5 t -74.82 -41.06 60.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 5.5 m -69.84 -46.05 66.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.211 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -119.56 91.31 44.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -92.43 6.84 3.18 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.824 2.349 . . . . 0.0 113.077 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -107.0 7.91 30.12 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 5.0 p -105.92 108.15 61.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.768 0.318 . . . . 0.0 111.169 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -56.98 -35.62 98.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.887 2.391 . . . . 0.0 112.448 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 10.2 t30 -67.93 -29.39 68.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.847 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' 1331 ' ' LEU . 14.5 tp -70.84 -34.75 71.99 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.587 ' HD2' HD11 ' A' 1322 ' ' LEU . 3.1 mptp? -64.04 -46.15 85.69 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.349 0.595 . . . . 0.0 109.495 172.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 23.1 t -63.32 -39.06 93.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.807 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.23 -37.86 88.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.671 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . 0.654 HD21 ' HB3' ' A' 1256 ' ' LEU . 10.2 tt -67.56 -47.15 70.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . 0.618 ' O ' ' HD3' ' A' 1340 ' ' ARG . . . -56.98 -40.13 75.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.993 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -63.74 -43.49 96.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.72 -33.53 75.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.857 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . 0.532 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.96 -36.92 82.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . 0.618 ' HD3' ' O ' ' A' 1336 ' ' ALA . 6.4 mpt_? -65.74 -36.83 84.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.234 176.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.02 91.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.764 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' 1346 ' ' ILE . 48.4 t -64.23 -52.21 58.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.334 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.7 m -60.84 -33.77 73.55 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.773 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -58.11 -58.2 9.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.339 176.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . 0.443 ' CB ' ' HB ' ' A' 1308 ' ' ILE . 51.1 m -60.34 -35.29 75.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.396 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.546 ' O ' HG12 ' A' 1350 ' ' ILE . 93.2 mt -62.31 -55.45 23.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 3.1 p30 -75.71 -29.19 58.88 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.292 -172.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -71.75 -35.08 70.0 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.65 178.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.97 -47.13 87.09 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' 1346 ' ' ILE . 35.1 mm -64.39 -36.97 78.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.953 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 92.8 m -62.58 -42.13 99.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 111.064 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 86.6 mtp -72.28 -49.9 31.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.057 0.456 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 70.1 m . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.366 -173.426 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 . . . . . 0 N--CA 1.463 0.195 0 CA-C-O 121.485 0.66 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.23 -46.44 54.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.653 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . . . . . . . . . 29.2 m -63.9 -30.05 48.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 121.062 0.458 . . . . 0.0 110.818 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.81 -41.67 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.158 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.36 -36.8 81.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.228 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' 1216 ' ' VAL . . . -59.25 -49.32 78.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.27 176.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . 0.495 HD21 ' HB2' ' A' 1316 ' ' LEU . 33.2 mt -64.16 -38.85 92.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.755 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -57.85 -45.91 85.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.232 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.76 79.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' 1212 ' ' ALA . 96.6 t -58.92 -42.66 86.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.795 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.29 -46.79 92.13 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.42 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -64.45 -43.49 94.12 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.667 0.27 . . . . 0.0 110.63 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . 0.661 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -62.18 -50.96 69.73 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.608 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . 0.401 ' O ' HD23 ' A' 1224 ' ' LEU . 41.6 m -62.29 -40.92 97.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.837 0.351 . . . . 0.0 111.178 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 83.8 tttt -67.72 -45.22 75.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.056 0.455 . . . . 0.0 110.846 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 37.8 ttp-105 -78.29 -50.36 11.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.742 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.516 ' O ' HG21 ' A' 1286 ' ' VAL . 97.2 mt -81.25 -10.78 59.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -168.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . 0.463 HD22 ' HA ' ' A' 1224 ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.209 0.528 . . . . 0.0 109.863 170.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 52.4 tt0 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.937 0.398 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.18 -42.72 99.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.965 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.53 71.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.008 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.1 -46.34 87.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 32.5 p -65.65 -36.73 84.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.003 0.43 . . . . 0.0 110.337 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 17.2 ttp-105 -69.11 -40.91 78.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.419 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . 0.549 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 37.0 tp -61.63 -44.17 97.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.156 174.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -57.98 -43.54 86.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.236 177.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.58 -48.04 79.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.29 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -63.89 -36.48 84.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.03 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -62.02 -49.14 77.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.23 -38.69 80.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.436 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.39 -47.88 74.62 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.21 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' 1252 ' ' ALA . 33.6 tp -69.48 -32.66 71.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.654 0.264 . . . . 0.0 110.823 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . 0.409 ' OD1' HG23 ' A' 1343 ' ' THR . 64.3 m-20 -57.69 -44.73 86.02 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.054 0.454 . . . . 0.0 109.986 173.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' A' 1255 ' ' GLU . 24.4 tt0 -69.62 -37.21 76.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.24 177.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . 0.847 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -58.32 -44.46 88.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.946 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' 1257 ' ' VAL . . . -64.69 -39.19 93.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.946 175.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' 1251 ' ' GLN . 98.9 m -58.56 -46.82 86.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.805 176.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' 1251 ' ' GLN . 10.3 mm-40 -55.28 -47.77 75.03 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.384 176.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.555 ' HA ' ' HB1' ' A' 1270 ' ' ALA . 19.0 tp -62.14 -44.56 96.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.571 -178.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' 1253 ' ' ALA . 98.9 t -57.24 -51.92 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 120.671 0.272 . . . . 0.0 111.007 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.81 -44.4 96.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.958 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -66.7 -36.5 82.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.86 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . . . . . . . . . 48.7 m -68.29 -19.4 64.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.065 0.46 . . . . 0.0 111.536 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -101.7 11.74 38.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.086 0.469 . . . . 0.0 109.908 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.14 -93.53 1.11 Allowed Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.111 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 15.5 p -133.21 155.16 81.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.539 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -57.13 -33.45 95.86 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.232 2.622 . . . . 0.0 112.077 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -70.88 -42.8 69.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.049 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -70.81 -36.96 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 63.5 tp -55.47 -42.42 74.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.759 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.04 75.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -58.82 -41.31 86.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 109.851 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . 0.555 ' HB1' ' HA ' ' A' 1256 ' ' LEU . . . -63.73 -35.59 81.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.445 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 22.2 m -61.88 -47.7 83.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.408 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -66.42 -37.58 92.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.638 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . 0.459 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 12.4 tpp180 -55.51 -57.84 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 110.732 174.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . 0.847 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 71.9 t80 -60.92 -45.92 92.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.525 -174.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.57 -34.29 89.07 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.516 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . 0.427 HE21 ' HB3' ' A' 1276 ' ' GLN . 1.0 OUTLIER -70.24 -50.59 38.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.736 0.303 . . . . 0.0 110.603 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.25 -32.28 73.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.17 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.628 ' HE1' ' HA ' ' A' 1309 ' ' SER . 81.7 t80 -59.97 -46.12 90.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.802 176.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . 0.524 ' O ' ' HG3' ' A' 1283 ' ' GLU . 22.8 t -58.05 -49.67 76.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.21 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 23.3 m -59.42 -42.41 91.76 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.029 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . 0.551 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 76.9 t80 -62.2 -48.76 78.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.855 178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.661 HD23 ' HB1' ' A' 1219 ' ' ALA . 24.2 tp -64.29 -38.94 92.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.987 -176.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' 1279 ' ' SER . 44.1 mt-10 -60.53 -41.2 93.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.7 0.286 . . . . 0.0 110.898 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -75.91 -38.63 57.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.957 0.408 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.11 -46.84 93.17 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.556 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.516 HG21 ' O ' ' A' 1223 ' ' LEU . 7.6 p -74.1 -24.04 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 122.575 -0.368 . . . . 0.0 110.62 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' 1291 ' ' GLN . 38.6 tt0 -58.41 -49.78 76.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.137 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . . . . . . . . . 22.2 ptm -72.76 -26.86 61.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 110.414 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . 0.453 ' HA ' HG11 ' A' 1301 ' ' VAL . . . -65.11 -29.01 69.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -82.36 -10.27 83.81 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.318 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' 1287 ' ' GLU . 46.9 mm-40 -93.22 -7.57 44.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 110.23 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -67.39 119.3 64.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.317 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -69.01 -31.9 22.83 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.916 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' A' 1297 ' ' ASP . 22.8 m -101.19 134.48 44.16 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.307 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.54 -39.53 88.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.113 0.482 . . . . 0.0 110.067 178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.96 -29.92 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.323 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . 0.48 ' HB2' ' HB2' ' A' 1294 ' ' SER . 11.8 t70 -74.7 -36.99 62.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.657 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' 1302 ' ' VAL . 50.2 ttt180 -64.75 -41.54 95.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.043 176.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -55.65 -35.7 66.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.033 0.444 . . . . 0.0 110.779 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . 0.446 ' HB3' ' O ' ' A' 1297 ' ' ASP . 27.4 tt0 -59.96 -50.62 73.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.83 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.509 ' HA ' ' ND2' ' A' 1304 ' ' ASN . 7.7 p -76.52 -30.44 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.998 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.513 ' HA ' HD12 ' A' 1305 ' ' LEU . 61.5 t -63.99 -35.19 72.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 120.758 0.313 . . . . 0.0 110.244 175.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 69.8 m -60.53 -41.88 95.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.946 0.403 . . . . 0.0 110.352 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . 0.686 ' HB3' ' HG ' ' A' 1349 ' ' LEU . 33.2 m-20 -63.93 -45.39 89.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.613 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.541 HD23 HD11 ' A' 1349 ' ' LEU . 93.2 mt -58.47 -51.38 70.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.025 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -58.57 -45.73 88.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.738 0.304 . . . . 0.0 110.711 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -55.07 -50.8 57.7 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.588 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . 0.462 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -74.28 -39.59 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.893 -178.249 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . 0.628 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 49.0 m -62.01 -50.16 73.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.63 0.252 . . . . 0.0 111.181 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . . . . . . . . . 54.2 mtt -64.64 -40.03 94.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.885 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . 0.548 ' HA ' ' HD2' ' A' 1314 ' ' LYS . 51.4 m -63.46 -35.03 79.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.623 0.249 . . . . 0.0 110.839 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 62.2 m -65.5 -40.53 93.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.526 0.679 . . . . 0.0 110.135 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.573 ' O ' ' HG ' ' A' 1317 ' ' LEU . 45.5 t -59.99 -52.78 63.9 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.229 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.548 ' HD2' ' HA ' ' A' 1311 ' ' SER . 51.1 mttm -57.42 -39.86 77.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.109 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' 1339 ' ' ALA . 34.8 tp -59.45 -48.09 82.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.009 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.495 ' HB2' HD21 ' A' 1213 ' ' LEU . 96.2 mt -70.28 -26.73 63.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.484 -177.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' 1313 ' ' SER . 94.0 mt -59.51 -41.72 90.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.978 0.418 . . . . 0.0 109.912 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.03 -38.57 75.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.687 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.98 99.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -58.4 -47.98 82.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.348 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.36 68.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.0 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' 1325 ' ' ASP . 28.8 tp -76.63 -26.28 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.306 -177.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 98.4 p -74.21 -23.85 59.25 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.382 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 11.2 t -95.14 -26.29 16.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . 0.447 ' O ' HD12 ' A' 1322 ' ' LEU . 12.0 t70 -134.02 90.69 25.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.304 175.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -91.01 19.69 1.08 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.755 2.303 . . . . 0.0 112.287 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -104.16 -45.39 4.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.738 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . 0.412 ' HA ' ' HD2' ' A' 1329 ' ' PRO . 42.4 m -59.16 113.41 6.83 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.985 -174.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' 1328 ' ' SER . 30.7 Cg_endo -64.66 -32.18 58.09 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.68 2.254 . . . . 0.0 111.746 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 46.8 t30 -60.51 -38.71 85.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.159 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 17.3 tp -68.27 -37.27 80.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.29 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.44 ' HD2' HD11 ' A' 1322 ' ' LEU . 5.0 mptp? -61.23 -50.04 74.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.963 0.411 . . . . 0.0 110.28 173.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 13.2 t -63.7 -39.2 93.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.832 -177.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -61.62 -47.78 83.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.83 0.348 . . . . 0.0 110.494 177.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.19 -47.71 84.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.937 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.39 -39.68 80.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.79 -42.84 80.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.023 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' 1342 ' ' VAL . . . -66.63 -39.09 88.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.764 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . 0.562 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.35 -42.18 98.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.671 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -62.44 -38.9 91.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.082 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.96 91.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.562 ' O ' HG13 ' A' 1346 ' ' ILE . 91.8 t -62.78 -52.43 59.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.076 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . 0.475 ' HA ' HD12 ' A' 1346 ' ' ILE . 79.3 m -60.17 -38.56 83.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.58 -42.96 89.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.805 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 18.5 m -73.92 -34.58 64.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.897 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' 1342 ' ' VAL . 95.3 mt -59.36 -54.86 28.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.817 0.342 . . . . 0.0 110.821 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 8.9 p30 -70.68 -28.37 64.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.278 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.64 -44.13 96.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.086 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.686 ' HG ' ' HB3' ' A' 1304 ' ' ASN . 2.3 tt -62.04 -48.33 80.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.549 ' CD1' ' HG ' ' A' 1242 ' ' LEU . 43.2 mm -61.37 -55.39 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.077 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 33.3 m -61.86 -38.54 88.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.917 -175.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 27.4 ttt -74.05 -33.82 63.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.772 0.32 . . . . 0.0 111.178 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . 0.488 ' SG ' HD23 ' A' 1349 ' ' LEU . 93.2 m . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 . . . . . 0 C--O 1.224 -0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.2 -24.06 64.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -173.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.481 ' O ' ' HG ' ' A' 1213 ' ' LEU . 10.6 m -81.33 -29.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 119.806 -0.757 . . . . 0.0 109.493 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 20.3 t70 -82.64 -41.53 19.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.584 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -63.65 -38.17 90.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.827 178.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' 1216 ' ' VAL . . . -60.18 -45.63 92.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.191 176.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' 1316 ' ' LEU . 61.7 mt -61.95 -38.29 87.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.738 177.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . 0.451 ' HA ' ' NE ' ' A' 1214 ' ' ARG . 0.0 OUTLIER -59.79 -48.14 82.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.997 177.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.57 77.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.194 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.476 HG13 ' CE2' ' A' 1278 ' ' PHE . 89.9 t -63.15 -54.38 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.45 -43.83 96.14 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.975 -0.557 . . . . 0.0 113.033 -174.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.01 -46.58 77.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.715 0.293 . . . . 0.0 111.392 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.44 91.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.537 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . 0.595 ' HA ' HD21 ' A' 1282 ' ' LEU . 30.3 t -57.05 -38.17 72.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.059 -178.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 61.7 mttp -78.84 -52.02 8.91 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' 1222 ' ' ARG . 48.9 mtm105 -77.11 -31.95 56.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.487 ' HB3' HG21 ' A' 1286 ' ' VAL . 60.2 mt -71.06 -55.48 8.15 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.389 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' 1224 ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 122.095 0.95 . . . . 0.0 110.957 -177.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 N--CA 1.47 0.534 0 CA-C-O 120.61 0.243 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.1 -41.55 83.73 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.49 0.662 . . . . 0.0 109.824 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . 0.41 ' HB2' ' CG ' ' A' 1287 ' ' GLU . . . -74.54 -24.78 59.01 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.51 -172.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . 0.563 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 42.4 tt0 -71.94 -58.66 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.362 -171.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.3 m -65.26 -31.11 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.186 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -67.68 -43.96 78.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.816 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . 0.544 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 61.2 tp -68.21 -41.64 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.695 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -57.69 -36.69 72.29 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.195 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.3 -52.13 37.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.462 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.91 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.46 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . 0.643 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -56.78 -53.16 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.271 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -64.73 -37.91 89.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.852 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.31 -47.71 77.04 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.409 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 29.2 tp -70.92 -36.19 72.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.64 0.257 . . . . 0.0 110.837 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . 0.463 ' OD1' ' HA ' ' A' 1343 ' ' THR . 20.2 m-20 -60.81 -41.75 96.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 110.368 175.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.489 ' O ' ' HB ' ' A' 1254 ' ' THR . 0.9 OUTLIER -67.89 -37.69 82.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.89 177.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.26 99.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.834 0.349 . . . . 0.0 110.83 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.78 94.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.325 0.583 . . . . 0.0 109.918 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' 1251 ' ' GLN . 94.7 m -58.52 -38.81 78.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.753 176.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' 1251 ' ' GLN . 38.3 mt-10 -63.71 -38.8 92.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.014 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.41 -33.33 75.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.579 0.228 . . . . 0.0 110.56 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 43.6 t -68.39 -42.93 84.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.071 0.462 . . . . 0.0 110.142 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . 0.573 ' HA ' ' CZ ' ' A' 1261 ' ' ARG . 27.3 mt-30 -66.73 -33.6 75.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.75 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -78.89 -27.6 43.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.004 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . 0.543 ' OG ' ' HA ' ' A' 1332 ' ' LYS . 35.1 t -52.97 -55.04 26.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.826 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . 0.573 ' CZ ' ' HA ' ' A' 1258 ' ' GLN . 1.7 ppt_? -95.62 32.75 1.75 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.549 0.69 . . . . 0.0 110.35 176.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -119.73 -98.87 1.77 Allowed Glycine 0 N--CA 1.436 -1.341 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 80.5 p -147.89 154.89 44.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.932 0.366 . . . . 0.0 110.994 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . 0.697 ' HA ' HD12 ' A' 1267 ' ' LEU . 45.0 Cg_exo -58.68 -32.39 96.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.737 2.291 . . . . 0.0 111.23 173.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -61.71 -38.64 88.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.399 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.13 -32.8 38.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.194 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' 1264 ' ' PRO . 57.9 mt -55.53 -42.55 74.72 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 174.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -59.62 -51.6 69.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.133 0.492 . . . . 0.0 110.421 176.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -54.35 -47.84 72.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.457 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.74 98.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.091 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 44.4 m -56.32 -43.6 79.16 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.963 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -61.0 -47.47 91.12 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.721 -175.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -71.92 -38.97 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.546 -0.385 . . . . 0.0 110.985 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . 0.5 ' HD2' HD21 ' A' 1316 ' ' LEU . 67.6 t80 -60.67 -48.05 83.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.783 0.325 . . . . 0.0 110.5 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -68.3 -40.43 87.35 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.686 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -68.32 -46.62 69.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.624 0.25 . . . . 0.0 111.311 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.19 -30.0 67.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.447 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.476 ' CE2' HG13 ' A' 1216 ' ' VAL . 70.4 t80 -57.32 -38.12 73.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.622 176.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' 1283 ' ' GLU . 8.1 t -58.93 -44.7 91.41 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 25.4 m -66.12 -41.54 90.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . 0.447 ' HE2' HG21 ' A' 1308 ' ' ILE . 77.8 t80 -60.45 -49.55 77.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.246 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.595 HD21 ' HA ' ' A' 1220 ' ' SER . 34.1 tp -64.09 -38.44 91.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.372 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' 1279 ' ' SER . 43.0 mt-10 -56.24 -45.27 80.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.707 0.289 . . . . 0.0 110.772 177.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.03 77.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.123 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . 0.535 ' HA3' HD21 ' A' 1305 ' ' LEU . . . -67.33 -43.06 89.35 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.216 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.487 HG21 ' HB3' ' A' 1223 ' ' LEU . 21.5 t -71.37 -31.53 43.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.099 0.476 . . . . 0.0 110.093 178.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . 0.41 ' CG ' ' HB2' ' A' 1238 ' ' ALA . 7.7 tp10 -58.86 -47.96 83.05 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.466 175.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' 1285 ' ' GLY . 13.7 ptm -70.94 -23.78 62.3 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.416 -176.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -60.4 -19.25 55.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.946 0.403 . . . . 0.0 110.498 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -76.05 -32.51 52.59 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.484 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -85.56 7.01 24.67 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.132 0.491 . . . . 0.0 110.786 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -100.2 105.31 35.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.472 171.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.1 -35.43 2.4 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.723 2.282 . . . . 0.0 113.25 -176.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' 1297 ' ' ASP . 15.2 m -74.91 140.0 43.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.609 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -40.79 81.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.551 -174.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -80.11 -32.14 39.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.067 0.46 . . . . 0.0 110.236 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . 0.644 ' HB3' ' HB2' ' A' 1294 ' ' SER . 32.6 t70 -64.08 -40.92 97.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.568 173.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' 1302 ' ' VAL . 38.9 ttm180 -67.38 -40.05 85.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.856 175.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.29 76.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.07 -46.78 85.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.037 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.53 ' HA ' ' ND2' ' A' 1304 ' ' ASN . 4.7 p -69.52 -34.75 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.829 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.572 ' HA ' HD12 ' A' 1305 ' ' LEU . 98.3 t -66.43 -32.74 59.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.982 0.42 . . . . 0.0 110.65 176.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 46.4 m -64.89 -40.13 94.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.408 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . 0.572 ' HB3' ' HG ' ' A' 1349 ' ' LEU . 54.5 m-20 -60.18 -43.07 96.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.666 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' 1302 ' ' VAL . 94.4 mt -56.53 -51.93 66.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.871 -1.058 . . . . 0.0 111.024 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -59.51 -48.35 82.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.663 0.268 . . . . 0.0 110.34 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -50.65 -49.11 41.46 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.906 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . 0.447 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -78.22 -34.26 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 122.667 -0.313 . . . . 0.0 110.886 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 63.3 m -62.46 -48.18 80.78 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.959 0.409 . . . . 0.0 110.922 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . 0.535 ' O ' ' HG3' ' A' 1314 ' ' LYS . 0.2 OUTLIER -65.34 -42.89 92.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.692 178.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.9 m -62.64 -38.61 90.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.796 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 42.1 t -60.99 -44.08 97.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.7 0.762 . . . . 0.0 109.217 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.603 ' O ' ' HG ' ' A' 1317 ' ' LEU . 52.3 m -60.36 -49.67 76.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.685 175.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' 1310 ' ' MET . 65.1 mttm -58.78 -39.99 82.68 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.186 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.588 HD22 ' HA ' ' A' 1339 ' ' ALA . 42.0 tp -62.49 -47.74 82.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.5 HD21 ' HD2' ' A' 1274 ' ' PHE . 80.9 mt -65.9 -30.07 70.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.921 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' 1313 ' ' SER . 91.7 mt -65.37 -39.52 92.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.34 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.09 -39.31 86.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.225 175.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.09 95.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.944 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -56.21 -52.45 64.37 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.998 0.428 . . . . 0.0 110.477 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.29 82.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.765 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.4 HD11 ' HE2' ' A' 1332 ' ' LYS . 34.4 tp -72.7 -26.52 61.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.044 0.449 . . . . 0.0 110.817 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 51.1 m -76.81 -25.92 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.956 0.408 . . . . 0.0 110.629 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 13.9 p -90.73 -30.58 16.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.087 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -131.68 74.72 77.46 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.26 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . 0.533 ' HB3' ' HG3' ' A' 1264 ' ' PRO . 69.2 Cg_endo -78.75 -5.9 14.95 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.579 2.186 . . . . 0.0 113.254 -174.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -97.08 10.55 39.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.839 0.352 . . . . 0.0 110.941 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 17.9 t -98.53 104.85 26.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . 0.563 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 27.2 Cg_exo -63.25 -27.73 72.39 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.101 2.534 . . . . 0.0 112.847 -175.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 44.3 t30 -60.94 -38.04 84.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . 0.491 ' HA ' ' HB3' ' A' 1334 ' ' GLN . 10.9 mp -66.67 -26.13 66.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.604 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.563 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 1.3 mptm? -63.32 -50.46 69.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.701 0.286 . . . . 0.0 110.641 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 3.8 p -74.27 -31.55 62.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.084 0.468 . . . . 0.0 110.595 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . 0.491 ' HB3' ' HA ' ' A' 1331 ' ' LEU . 26.8 tt0 -60.42 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.263 176.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . 0.485 HD22 ' HB2' ' A' 1260 ' ' SER . 9.8 tt -64.16 -43.48 95.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.029 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.48 78.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.121 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.92 85.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.861 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.94 -36.94 84.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.597 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . 0.588 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.84 -43.36 98.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.755 177.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -63.43 -34.21 77.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.666 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.89 92.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.366 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' 1338 ' ' ALA . 50.0 t -66.02 -51.63 58.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.887 175.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . 0.463 ' HA ' ' OD1' ' A' 1250 ' ' ASN . 88.1 m -53.93 -49.64 68.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.379 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.71 -44.64 90.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.313 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 19.5 m -66.03 -36.54 83.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.406 ' CG1' HG13 ' A' 1308 ' ' ILE . 76.8 mt -62.69 -48.49 87.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.116 0.484 . . . . 0.0 109.888 174.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -55.89 -48.9 74.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.04 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.32 -24.49 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.513 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.572 ' HG ' ' HB3' ' A' 1304 ' ' ASN . 0.7 OUTLIER -71.42 -40.4 70.46 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.161 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' 1246 ' ' ALA . 43.8 mm -69.12 -36.07 71.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.593 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 29.8 m -57.89 -34.79 70.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.283 0.563 . . . . 0.0 110.414 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.9 tpt -78.62 -27.81 45.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.454 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 26.0 t . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.142 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' 1268 ' ' ALA . 4.6 t0 -61.86 -22.32 65.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.538 ' HA ' ' HB3' ' A' 1271 ' ' SER . 11.6 m -68.13 -32.2 54.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.113 0.482 . . . . 0.0 110.187 176.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -82.65 -36.48 25.98 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.274 0.559 . . . . 0.0 109.901 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 24.1 t30 -55.97 -42.57 76.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.959 173.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' 1216 ' ' VAL . . . -59.95 -46.28 89.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.128 176.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' 1209 ' ' VAL . 83.3 mt -60.7 -36.57 79.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -65.05 -41.85 94.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.913 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.77 96.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.945 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.529 HG13 ' CE2' ' A' 1278 ' ' PHE . 50.9 t -61.12 -35.11 63.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.176 0.512 . . . . 0.0 110.106 176.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -69.91 -39.75 74.88 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.141 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . 0.579 ' HA ' ' CE ' ' A' 1221 ' ' LYS . 44.2 m-20 -65.0 -45.19 86.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.672 0.272 . . . . 0.0 110.925 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . 0.635 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -61.63 -43.28 99.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . 0.496 ' HA ' HD23 ' A' 1224 ' ' LEU . 3.7 p -65.04 -39.88 93.98 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.148 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . 0.579 ' CE ' ' HA ' ' A' 1218 ' ' ASP . 52.9 mtmt -62.82 -49.81 73.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.777 0.323 . . . . 0.0 111.729 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 36.0 mtm-85 -78.84 -8.64 58.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.736 ' HB3' HG11 ' A' 1286 ' ' VAL . 70.3 mt -126.91 -53.92 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' 1220 ' ' SER . 4.0 mm? . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 121.132 0.491 . . . . 0.0 111.543 -173.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . 0.525 ' HA ' ' HB3' ' A' 1239 ' ' GLN . 36.1 tt0 . . . . . 0 CA--C 1.532 0.25 0 CA-C-O 120.813 0.34 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -59.15 -52.79 64.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.212 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -74.53 -34.35 62.99 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.208 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . 0.525 ' HB3' ' HA ' ' A' 1236 ' ' GLN . 60.1 tt0 -59.28 -53.72 55.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.968 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 19.3 m -66.92 -38.88 87.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . 0.4 ' HE ' ' HB2' ' A' 1241 ' ' ARG . 14.9 ttm180 -60.2 -44.86 94.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.256 179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . 0.434 HD22 ' SD ' ' A' 1288 ' ' MET . 30.7 tp -58.96 -48.59 80.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.66 175.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -60.65 -42.06 96.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.689 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.98 -39.6 95.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -73.16 -39.87 65.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -60.51 -50.36 73.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.956 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.66 -38.46 75.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.33 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.49 -33.74 63.86 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.081 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 30.0 tp -74.99 -31.4 61.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -57.43 -50.33 73.35 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.089 0.471 . . . . 0.0 110.978 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' 1255 ' ' GLU . 0.0 OUTLIER -70.94 -32.5 69.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.169 -178.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -59.21 -46.51 88.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' 1257 ' ' VAL . . . -64.81 -39.87 94.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.2 0.524 . . . . 0.0 110.025 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 98.7 m -59.02 -34.81 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.395 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' 1251 ' ' GLN . 34.4 mt-10 -67.46 -41.12 85.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.857 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' 1256 ' ' LEU . 39.4 mt -60.66 -38.76 85.97 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.846 0.355 . . . . 0.0 110.201 175.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' 1253 ' ' ALA . 65.6 t -61.31 -50.31 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.261 179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -74.07 -38.39 63.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.246 -174.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -68.59 -26.9 65.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.891 0.377 . . . . 0.0 111.191 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . 0.404 ' HB3' ' HD2' ' A' 1261 ' ' ARG . 39.2 t -52.68 -34.55 52.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.473 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . 0.514 HH22 ' HB2' ' A' 1336 ' ' ALA . 5.5 mpt_? -108.08 16.92 22.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -147.21 -111.86 0.68 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.775 -1.202 . . . . 0.0 113.606 -176.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . 0.456 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 0.1 OUTLIER -80.49 123.08 83.06 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-O 121.373 0.606 . . . . 0.0 112.24 -171.357 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' 1263 ' ' THR . 19.1 Cg_exo -68.08 -34.94 21.26 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.562 2.841 . . . . 0.0 112.383 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -68.55 -31.8 71.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.41 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -45.16 75.53 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.252 174.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 39.1 tp -52.47 -50.39 62.8 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.606 0.566 . . . . 0.0 110.558 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' 1208 ' ' ASP . . . -63.97 -51.17 65.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.108 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -61.06 -34.29 74.66 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 111.095 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.8 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.577 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . 0.538 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 20.8 m -67.49 -51.69 48.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.634 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -64.18 -37.86 95.13 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.753 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -66.27 -47.51 73.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.86 0.362 . . . . 0.0 110.419 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . 0.468 ' HZ ' HG11 ' A' 1342 ' ' VAL . 89.2 t80 -59.33 -48.33 82.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.765 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.67 -38.91 97.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.666 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.65 -46.93 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.777 -0.249 . . . . 0.0 111.081 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.76 -35.27 80.03 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.696 0.284 . . . . 0.0 110.642 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.529 ' CE2' HG13 ' A' 1216 ' ' VAL . 47.9 t80 -60.13 -43.76 95.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.535 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 50.8 m -57.93 -48.12 80.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.171 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 21.4 m -61.82 -41.26 97.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.886 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . 0.488 ' HE2' HG21 ' A' 1308 ' ' ILE . 84.7 t80 -61.68 -47.63 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.574 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.635 HD23 ' HB1' ' A' 1219 ' ' ALA . 23.7 tp -65.64 -36.56 84.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.382 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' A' 1287 ' ' GLU . 43.3 mt-10 -63.58 -43.45 96.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.707 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' 1287 ' ' GLU . . . -65.03 -30.89 71.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.997 0.427 . . . . 0.0 110.381 176.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.04 -45.79 95.88 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.281 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.736 HG11 ' HB3' ' A' 1223 ' ' LEU . 13.3 m -74.62 -24.3 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 122.518 -0.401 . . . . 0.0 110.509 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' 1283 ' ' GLU . 6.9 mm-40 -56.98 -52.5 64.98 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 173.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.497 ' HA ' ' HG3' ' A' 1291 ' ' GLN . 17.6 ptm -75.54 -26.87 58.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' 1286 ' ' VAL . . . -64.62 -30.09 71.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.104 0.478 . . . . 0.0 110.13 176.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -80.26 -11.4 84.35 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.756 -0.656 . . . . 0.0 113.07 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.497 ' HG3' ' HA ' ' A' 1288 ' ' MET . 1.2 pp0? -104.38 6.36 35.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.38 0.59 . . . . 0.0 111.044 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -75.83 116.59 56.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.117 178.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 34.9 Cg_exo -60.3 -41.61 48.96 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.927 2.418 . . . . 0.0 112.285 -177.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 59.1 m -107.59 138.8 43.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.412 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . 0.554 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 23.0 mt-30 -68.57 -17.35 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.941 -177.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.28 -46.33 87.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 173.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.81 -35.28 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.179 0.514 . . . . 0.0 109.831 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.554 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 38.4 ttt180 -63.98 -45.81 87.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.146 178.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -73.83 -29.2 62.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.773 0.321 . . . . 0.0 110.568 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.73 -50.81 69.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.787 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.664 HG23 HD21 ' A' 1349 ' ' LEU . 7.6 p -60.6 -40.11 83.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.502 ' HA ' HD12 ' A' 1305 ' ' LEU . 93.8 t -61.56 -37.85 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.876 0.37 . . . . 0.0 110.951 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 20.2 m -64.97 -39.94 94.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.044 0.449 . . . . 0.0 110.369 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . 0.432 ' CB ' HD23 ' A' 1349 ' ' LEU . 35.3 m-20 -66.63 -37.67 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.8 176.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.3 mt -63.11 -33.95 76.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.835 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -57.75 -42.66 84.4 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 173.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.93 -45.94 78.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.425 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . 0.488 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -82.37 -39.06 15.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.314 -178.553 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . 0.523 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 57.3 p -67.45 -45.1 77.0 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 122.246 -0.284 . . . . 0.0 111.31 -177.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . 0.639 ' HG2' ' HE2' ' A' 1314 ' ' LYS . 54.3 ttm -65.74 -39.99 91.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.945 0.402 . . . . 0.0 110.194 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 37.4 m -70.55 -29.79 66.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.37 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 42.0 t -61.45 -45.16 95.47 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.492 ' O ' ' HG ' ' A' 1317 ' ' LEU . 39.4 m -60.32 -49.73 76.45 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 114.618 -1.173 . . . . 0.0 110.533 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.639 ' HE2' ' HG2' ' A' 1310 ' ' MET . 66.5 mttm -57.19 -44.09 83.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.426 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.602 HD22 ' HA ' ' A' 1339 ' ' ALA . 37.2 tp -61.4 -47.02 87.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 111.026 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.454 HD21 ' HD2' ' A' 1274 ' ' PHE . 86.4 mt -67.32 -30.13 69.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.813 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' 1313 ' ' SER . 85.8 mt -65.29 -35.1 79.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.41 . . . . 0.0 110.399 175.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.25 83.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.129 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.79 83.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 0.0 110.358 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . 0.471 ' HA ' HG21 ' A' 1209 ' ' VAL . 13.3 tppt? -54.51 -49.67 69.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.613 173.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.67 64.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.243 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . . . . . . . . . 33.8 tp -75.86 -29.76 58.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.694 0.283 . . . . 0.0 111.587 -176.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 6.3 p -74.74 -17.03 60.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.015 0.436 . . . . 0.0 110.572 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 2.3 p -101.46 -31.66 10.79 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.785 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -131.09 90.83 37.87 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.0 175.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -91.71 15.03 1.73 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.494 2.13 . . . . 0.0 112.292 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -98.63 -38.6 9.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.737 -175.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 41.6 t -68.07 116.27 37.21 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.61 -175.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.11 -27.18 29.89 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.864 2.376 . . . . 0.0 111.05 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.27 -31.51 71.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.908 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.06 -37.93 72.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.032 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -59.09 -44.58 91.93 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.098 0.475 . . . . 0.0 109.792 172.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 35.4 t -60.55 -44.67 95.87 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.785 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -62.95 -44.64 95.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.797 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.06 -45.34 91.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.43 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . 0.514 ' HB2' HH22 ' A' 1261 ' ' ARG . . . -62.34 -38.7 90.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.294 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.04 -40.99 87.28 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.998 0.428 . . . . 0.0 110.715 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' 1342 ' ' VAL . . . -68.65 -42.6 77.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.662 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . 0.602 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.81 -41.12 97.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.094 0.474 . . . . 0.0 110.643 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -61.18 -41.88 97.59 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.109 175.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.7 97.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.823 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' 1346 ' ' ILE . 59.4 t -64.26 -52.73 52.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.724 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 18.1 m -61.66 -37.96 85.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.2 0.524 . . . . 0.0 110.641 -177.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' 1348 ' ' GLN . 33.2 t70 -64.11 -50.54 67.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.758 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 9.0 p -66.58 -33.93 76.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.597 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' 1342 ' ' VAL . 95.9 mt -55.2 -53.72 31.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 172.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -64.8 -33.48 76.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.334 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' 1344 ' ' ASP . 14.9 mm100 -59.56 -48.83 80.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.884 0.374 . . . . 0.0 110.658 177.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.664 HD21 HG23 ' A' 1301 ' ' VAL . 2.5 tm? -67.16 -38.67 85.87 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.458 -176.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' 1346 ' ' ILE . 44.5 mm -67.39 -43.63 87.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.556 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 85.8 m -60.76 -47.21 87.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.358 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 22.9 ptp -71.51 -27.76 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.681 0.277 . . . . 0.0 110.855 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 39.3 t . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.903 178.366 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . 0.506 ' HD3' ' HB3' ' A' 1210 ' ' ASP . 6.6 tpp180 . . . . . 0 C--O 1.222 -0.359 0 N-CA-C 111.471 0.174 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.04 -43.64 66.79 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.557 HG21 ' HA ' ' A' 1320 ' ' LYS . 31.5 m -64.14 -36.17 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.852 0.358 . . . . 0.0 111.37 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . 0.506 ' HB3' ' HD3' ' A' 1207 ' ' ARG . 25.2 t70 -83.55 -27.49 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.078 0.466 . . . . 0.0 110.692 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 59.1 t30 -63.59 -35.06 79.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.984 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' 1216 ' ' VAL . . . -60.71 -40.9 94.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.888 173.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . 0.79 HD21 ' HB2' ' A' 1316 ' ' LEU . 41.9 mt -67.52 -31.14 71.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.993 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . 0.435 ' HA ' ' HE ' ' A' 1214 ' ' ARG . 2.9 tpm_? -59.62 -41.06 89.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.17 -50.51 39.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.614 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.541 HG13 ' CE2' ' A' 1278 ' ' PHE . 87.2 t -58.84 -52.64 57.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.315 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . 0.443 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -62.52 -47.4 89.6 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.559 -177.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.64 -43.88 98.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.631 0.253 . . . . 0.0 110.689 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . 0.426 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -65.88 -42.81 89.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.967 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 48.5 m -62.1 -37.2 84.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.81 0.338 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' 1217 ' ' GLY . 67.2 mttm -74.15 -56.98 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.991 0.424 . . . . 0.0 110.318 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -56.41 -56.31 22.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.035 -175.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.675 ' HB3' HG21 ' A' 1286 ' ' VAL . 92.3 mt -68.13 -37.83 81.54 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -173.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.349 . . . . 0.0 111.457 -176.942 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . 0.509 ' HA ' ' HB3' ' A' 1239 ' ' GLN . 29.4 tt0 . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.482 0.182 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -54.24 -48.1 71.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 110.623 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -78.33 -34.94 48.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.319 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . 0.509 ' HB3' ' HA ' ' A' 1236 ' ' GLN . 53.0 tt0 -57.32 -45.13 84.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.734 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 17.6 m -63.37 -37.46 87.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . 0.432 ' HG2' ' HB2' ' A' 1284 ' ' ALA . 52.8 ttt180 -67.76 -39.07 84.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.346 -178.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . 0.794 HD22 ' HB1' ' A' 1284 ' ' ALA . 2.4 mm? -57.39 -41.15 79.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.856 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -66.75 -39.24 87.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.567 -174.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.65 -52.21 40.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.185 0.517 . . . . 0.0 110.287 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.1 -33.32 75.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.226 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.01 -53.67 55.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.225 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.4 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.74 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -64.86 -47.01 87.69 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.4 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . 0.424 HD23 HD11 ' A' 1346 ' ' ILE . 22.2 tp -66.24 -36.71 83.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.602 0.239 . . . . 0.0 110.768 -177.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -62.01 -39.89 93.8 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.838 0.351 . . . . 0.0 110.702 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.504 ' O ' ' HB ' ' A' 1254 ' ' THR . 25.7 tm0? -72.44 -39.62 67.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.963 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.08 96.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.013 0.435 . . . . 0.0 110.796 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' 1257 ' ' VAL . . . -62.44 -40.2 95.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.19 0.519 . . . . 0.0 109.916 174.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' 1251 ' ' GLN . 80.5 m -57.54 -40.15 78.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.973 176.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' 1251 ' ' GLN . 59.8 mt-10 -61.67 -45.14 95.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.583 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 68.9 mt -59.78 -42.09 92.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.717 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' 1253 ' ' ALA . 95.7 t -59.28 -48.97 85.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.844 0.354 . . . . 0.0 111.254 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -69.23 -43.52 73.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.926 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.1 69.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . . . . . . . . . 38.6 t -55.09 -37.35 66.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.764 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' 1261 ' ' ARG . 23.0 mtp180 -112.27 21.0 16.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.2 -177.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -126.7 -60.18 0.14 Allowed Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.326 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 1.8 t -167.78 133.43 1.63 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 121.101 0.477 . . . . 0.0 111.372 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . 0.77 ' HA ' HD12 ' A' 1267 ' ' LEU . 39.5 Cg_exo -61.06 -23.09 76.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.379 2.719 . . . . 0.0 112.436 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -76.44 -27.92 56.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -177.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . 0.429 ' HB2' HG23 ' A' 1263 ' ' THR . 10.7 t70 -75.25 -35.15 61.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' 1264 ' ' PRO . 75.6 mt -53.17 -44.75 68.12 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.852 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.9 79.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.076 0.465 . . . . 0.0 111.082 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.31 -45.54 94.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.008 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.65 -28.72 70.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.67 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 35.5 m -63.6 -43.62 96.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.708 0.29 . . . . 0.0 110.932 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -74.77 -27.41 64.97 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.617 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -69.52 -53.62 18.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 175.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 65.7 t80 -61.02 -47.52 86.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.936 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -61.03 -37.75 94.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.594 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.67 -50.02 47.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.619 0.247 . . . . 0.0 110.823 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -62.18 -37.71 86.29 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.413 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.698 ' HE1' ' HA ' ' A' 1309 ' ' SER . 83.6 t80 -61.08 -44.46 97.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.484 176.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 58.8 m -56.13 -51.14 69.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.088 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 32.7 m -61.96 -39.52 92.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.185 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 58.0 t80 -64.11 -46.04 85.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.502 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.426 HD23 ' HB1' ' A' 1219 ' ' ALA . 20.7 tp -66.27 -38.01 86.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.345 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.6 -50.42 70.16 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.192 173.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . 0.794 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -61.82 -37.21 83.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.15 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -60.05 -48.0 88.26 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.09 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.675 HG21 ' HB3' ' A' 1223 ' ' LEU . 33.3 t -68.72 -33.93 62.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.145 0.497 . . . . 0.0 110.02 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -59.23 -47.15 86.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.763 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.55 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 20.6 ptm -75.09 -25.25 58.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -69.48 -32.56 71.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 110.774 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -73.05 -28.56 66.31 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.495 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.55 ' HG2' ' HA ' ' A' 1288 ' ' MET . 12.3 pt20 -93.37 10.08 33.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.811 0.338 . . . . 0.0 110.724 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . 0.478 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -62.48 126.39 88.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.568 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 31.4 Cg_exo -59.62 -35.96 93.77 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.033 2.489 . . . . 0.0 112.419 -177.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 96.6 p -136.26 165.46 25.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.242 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -70.14 -20.29 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.28 -45.3 93.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.059 175.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -71.23 -40.43 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.536 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' 1302 ' ' VAL . 75.6 ttt180 -63.43 -46.53 85.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.361 -176.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.53 75.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.012 0.434 . . . . 0.0 110.819 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -69.25 -48.9 60.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.919 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.656 ' O ' ' HG ' ' A' 1305 ' ' LEU . 10.4 p -62.89 -39.14 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.139 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' 1298 ' ' ARG . 71.8 t -61.78 -43.98 98.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.674 0.273 . . . . 0.0 111.233 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 3.2 p -66.95 -32.88 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.146 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -66.34 -42.76 87.67 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.298 0.571 . . . . 0.0 109.777 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.5 mt -60.63 -32.78 71.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.338 -177.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.68 -37.1 82.87 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.627 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.56 -51.32 57.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.319 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . 0.442 HG13 ' CG1' ' A' 1346 ' ' ILE . 0.0 OUTLIER -74.45 -39.9 48.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 121.253 -0.179 . . . . 0.0 111.123 -178.477 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . 0.698 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 23.9 p -65.43 -44.54 87.03 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.545 0.212 . . . . 0.0 111.313 -177.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . 0.624 ' O ' ' HG3' ' A' 1314 ' ' LYS . 20.1 mmt -63.31 -46.77 85.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.708 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 66.3 m -62.72 -34.94 78.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.483 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 61.3 m -65.7 -37.72 87.24 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.681 0.753 . . . . 0.0 109.533 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' 1317 ' ' LEU . 47.4 m -64.75 -48.22 75.36 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.149 176.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' 1310 ' ' MET . 82.6 mttt -60.44 -38.58 84.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.574 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.645 HD22 ' HA ' ' A' 1339 ' ' ALA . 34.0 tp -61.07 -52.78 63.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.1 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.79 ' HB2' HD21 ' A' 1213 ' ' LEU . 95.9 mt -65.6 -30.15 70.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' 1314 ' ' LYS . 72.3 mt -59.53 -45.97 90.23 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 174.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.24 92.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.646 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.61 95.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 178.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . 0.557 ' HA ' HG21 ' A' 1209 ' ' VAL . 33.6 ttpt -64.21 -43.7 94.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.717 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.98 72.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.492 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.569 HD23 HD11 ' A' 1267 ' ' LEU . 28.1 tp -73.0 -26.31 61.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.736 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 29.5 t -63.73 -41.84 97.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.106 0.479 . . . . 0.0 109.839 175.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 3.1 m -79.79 -40.61 28.27 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.191 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . 0.449 ' O ' HD12 ' A' 1322 ' ' LEU . 2.7 m-20 -120.12 86.23 37.06 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -90.04 3.22 5.1 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.623 2.216 . . . . 0.0 112.949 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . 0.482 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -107.4 13.46 26.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.689 0.28 . . . . 0.0 111.24 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 34.2 t -99.79 103.49 22.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.382 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' A' 1327 ' ' ALA . 26.1 Cg_exo -62.8 -34.08 73.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.772 2.315 . . . . 0.0 111.628 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.13 -36.93 85.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 178.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 19.5 tp -68.79 -32.7 72.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.544 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.555 ' CE ' HD11 ' A' 1322 ' ' LEU . 2.1 mptm? -61.44 -39.79 92.11 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.381 0.61 . . . . 0.0 110.035 173.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 23.2 t -70.65 -42.79 70.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.696 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.6 -40.66 97.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.762 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.42 -53.15 61.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.118 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.93 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 111.033 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -64.35 -49.87 69.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.056 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' 1342 ' ' VAL . . . -62.91 -38.01 89.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.644 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . 0.645 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -59.67 -46.24 89.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.026 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' 1340 ' ' ARG . 33.2 mmt180 -68.66 -28.76 67.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.935 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.51 -40.02 94.86 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 174.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' 1338 ' ' ALA . 62.6 t -61.57 -49.8 82.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.695 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.4 m -53.7 -47.45 70.49 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.507 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.42 -53.53 57.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.42 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.8 m -61.03 -38.19 85.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.323 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.556 ' O ' HG12 ' A' 1350 ' ' ILE . 63.9 mt -59.22 -52.16 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.266 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -57.33 -47.5 81.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.392 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -60.07 -43.95 95.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.661 0.267 . . . . 0.0 110.91 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -60.25 -44.5 95.22 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.24 0.543 . . . . 0.0 109.698 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.606 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 35.0 mm -70.86 -35.24 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.271 -177.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 91.8 m -72.26 -26.03 61.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.933 0.397 . . . . 0.0 111.434 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 71.5 mtm -80.02 -36.23 36.15 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.145 -0.347 . . . . 0.0 111.267 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' 1350 ' ' ILE . 24.5 p . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 120.941 0.4 . . . . 0.0 110.731 178.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 21.1 tpt180 . . . . . 0 C--O 1.223 -0.309 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . 0.464 ' HB2' ' HB1' ' A' 1268 ' ' ALA . 14.9 m-20 -60.01 -35.79 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.636 ' HA ' ' OG ' ' A' 1271 ' ' SER . 29.7 m -80.4 -39.23 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.208 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . 0.58 ' HA ' ' HD3' ' A' 1320 ' ' LYS . 36.7 t70 -77.35 -30.97 54.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.853 0.358 . . . . 0.0 111.648 -176.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.39 -29.57 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 0.0 110.555 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' 1216 ' ' VAL . . . -66.42 -44.53 82.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.427 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . 0.696 HD11 ' HB3' ' A' 1316 ' ' LEU . 7.1 mp -63.56 -35.32 80.11 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.155 177.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -56.56 -43.75 80.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.782 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.74 -44.98 65.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.003 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.682 HG13 ' CE2' ' A' 1278 ' ' PHE . 84.9 t -58.98 -47.65 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.984 0.421 . . . . 0.0 110.834 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.94 -41.27 97.45 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.48 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.75 -44.12 82.32 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.649 -0.324 . . . . 0.0 110.148 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.15 71.42 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.016 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 38.4 m -58.12 -54.16 50.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.968 0.413 . . . . 0.0 110.699 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' 1221 ' ' LYS . 3.9 mptp? -76.0 -26.49 56.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 111.035 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -72.45 -25.21 61.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.261 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.502 HD21 ' HG2' ' A' 1283 ' ' GLU . 62.7 mt -111.27 -54.5 2.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.248 -172.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . 0.48 HD22 HG13 ' A' 1302 ' ' VAL . 83.0 mt . . . . . 0 N--CA 1.464 0.242 0 O-C-N 123.188 0.305 . . . . 0.0 111.76 -172.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.14 0.495 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.07 -47.51 82.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.123 175.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . 0.789 ' HA ' ' HG2' ' A' 1241 ' ' ARG . . . -79.31 -27.56 42.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.047 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -55.66 -53.79 52.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 14.6 m -64.99 -38.37 90.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.877 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . 0.789 ' HG2' ' HA ' ' A' 1238 ' ' ALA . 14.0 ptm180 -75.24 -28.43 59.86 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.981 -173.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . 0.466 HD22 ' HB1' ' A' 1284 ' ' ALA . 1.0 OUTLIER -60.38 -45.9 91.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.375 174.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -66.05 -39.51 90.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.264 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.78 -49.0 64.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.094 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.42 80.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -57.68 -53.33 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.39 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.21 -37.07 71.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.344 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -68.96 -44.69 66.5 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.219 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 32.2 tp -68.3 -31.16 70.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.642 0.258 . . . . 0.0 111.03 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 11.1 m120 -54.99 -50.45 68.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.136 0.493 . . . . 0.0 110.571 175.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 17.2 tm0? -72.49 -33.82 67.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.037 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -58.09 -42.11 84.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 177.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -67.29 -32.77 73.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.096 0.474 . . . . 0.0 110.301 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 29.9 m -63.3 -36.22 82.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.699 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.48 -43.32 99.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.203 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.39 -38.26 86.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.548 0.213 . . . . 0.0 110.912 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 48.9 t -60.71 -52.6 59.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-O 120.981 0.42 . . . . 0.0 110.663 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -64.54 -42.07 95.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.627 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.55 88.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.385 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . 0.513 ' OG ' ' HG ' ' A' 1335 ' ' LEU . 63.5 m -59.85 -31.07 69.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.79 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -97.03 4.39 51.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -177.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -117.6 -71.4 0.42 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.708 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' 1266 ' ' ASP . 2.7 t -156.47 136.14 8.34 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.749 0.309 . . . . 0.0 111.251 -177.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . 0.744 ' HA ' HD13 ' A' 1267 ' ' LEU . 50.5 Cg_exo -54.7 -30.76 68.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.483 2.788 . . . . 0.0 112.901 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -70.36 -20.67 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.328 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . 0.424 ' HB2' HG23 ' A' 1263 ' ' THR . 16.5 t70 -79.88 -32.05 40.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.329 . . . . 0.0 110.123 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.744 HD13 ' HA ' ' A' 1264 ' ' PRO . 6.6 mp -59.84 -34.2 72.78 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.121 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' 1208 ' ' ASP . . . -57.57 -55.14 38.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.217 179.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -69.23 -35.43 76.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.358 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.09 85.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.624 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . 0.636 ' OG ' ' HA ' ' A' 1209 ' ' VAL . 7.5 t -63.17 -41.57 99.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.789 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.69 92.27 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.986 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -74.37 -50.01 20.4 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . 0.413 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 73.5 t80 -56.53 -48.26 77.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.496 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.32 95.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.775 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.29 -51.88 27.1 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.526 0.203 . . . . 0.0 111.085 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -63.27 -36.05 82.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.517 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.682 ' CE2' HG13 ' A' 1216 ' ' VAL . 74.2 t80 -60.96 -45.03 96.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.537 175.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . 0.579 ' O ' ' HG3' ' A' 1283 ' ' GLU . 51.9 m -54.5 -54.43 41.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.047 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 14.3 m -60.86 -40.34 92.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.154 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 82.7 t80 -63.71 -48.31 77.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.64 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' 1286 ' ' VAL . 43.6 tp -64.44 -45.92 85.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.712 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' 1279 ' ' SER . 58.8 mt-10 -60.53 -35.78 76.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.9 0.381 . . . . 0.0 110.452 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . 0.466 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -71.37 -43.31 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.78 177.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -60.39 -47.12 92.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.175 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' 1282 ' ' LEU . 45.5 t -67.22 -30.0 47.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 0.0 110.107 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' 1291 ' ' GLN . 9.3 tp10 -59.52 -53.48 57.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.182 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.579 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 19.9 ptm -72.74 -26.63 61.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.98 90.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 171.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -83.93 31.68 3.34 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.604 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.579 ' HG2' ' HA ' ' A' 1288 ' ' MET . 77.5 mm-40 -116.39 -12.38 11.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.494 0.664 . . . . 0.0 109.234 171.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -67.71 128.7 93.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.315 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -62.27 -34.05 79.07 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.58 2.186 . . . . 0.0 112.117 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . 0.403 ' HB2' ' CB ' ' A' 1297 ' ' ASP . 19.1 m -91.16 126.79 36.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.063 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . 0.459 ' O ' ' HB3' ' A' 1298 ' ' ARG . 4.4 pt20 -66.9 -27.03 67.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.486 0.184 . . . . 0.0 111.254 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.85 -34.54 57.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.991 0.424 . . . . 0.0 109.957 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . 0.403 ' CB ' ' HB2' ' A' 1294 ' ' SER . 19.3 t70 -68.35 -34.85 76.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' A' 1295 ' ' GLN . 12.8 ttp85 -55.8 -43.75 77.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.946 170.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -66.35 -28.69 68.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.232 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . 0.403 ' HB3' ' O ' ' A' 1297 ' ' ASP . 34.1 tt0 -58.59 -48.88 79.47 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.605 ' O ' ' HG ' ' A' 1305 ' ' LEU . 16.8 t -59.95 -44.22 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.769 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.48 HG13 HD22 ' A' 1224 ' ' LEU . 90.7 t -57.62 -39.44 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.141 178.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . 0.511 ' HA ' ' HE3' ' A' 1306 ' ' LYS . 26.6 t -61.01 -36.52 79.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.038 0.447 . . . . 0.0 110.333 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -76.17 -39.97 53.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.241 0.543 . . . . 0.0 109.819 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' 1301 ' ' VAL . 95.6 mt -62.0 -36.63 82.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.538 -178.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . 0.564 ' HA ' ' OG ' ' A' 1309 ' ' SER . 16.1 ptpt -64.75 -28.83 69.85 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.888 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -58.97 -45.67 94.82 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.823 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -40.73 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 122.675 -0.309 . . . . 0.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . 0.633 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 24.3 p -65.13 -47.5 76.89 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.763 0.316 . . . . 0.0 111.619 -176.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . 0.549 ' O ' ' HG3' ' A' 1314 ' ' LYS . 90.7 mtp -67.6 -37.2 82.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.647 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . 0.807 ' HA ' ' HD2' ' A' 1314 ' ' LYS . 69.2 m -65.22 -33.37 75.84 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.728 177.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 49.6 m -67.22 -38.67 85.66 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.371 0.605 . . . . 0.0 109.47 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.551 ' O ' ' HG ' ' A' 1317 ' ' LEU . 41.5 m -62.04 -48.11 81.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.046 174.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.807 ' HD2' ' HA ' ' A' 1311 ' ' SER . 56.3 mttm -56.51 -43.41 79.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.564 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.17 -51.3 69.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.064 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.696 ' HB3' HD11 ' A' 1213 ' ' LEU . 89.4 mt -65.45 -30.17 70.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.434 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' 1313 ' ' SER . 78.6 mt -57.26 -47.38 81.56 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 110.387 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.6 -36.38 76.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.581 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.06 86.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.31 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . 0.58 ' HD3' ' HA ' ' A' 1210 ' ' ASP . 32.5 mtmt -59.14 -52.05 67.39 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 178.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.05 88.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.801 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.512 HD11 ' CE ' ' A' 1332 ' ' LYS . 20.4 tp -66.12 -29.37 69.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.834 0.349 . . . . 0.0 111.499 -175.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . 0.465 ' HA ' ' HB3' ' A' 1264 ' ' PRO . 43.5 m -72.03 -14.13 61.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.842 0.353 . . . . 0.0 111.313 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 11.9 t -125.67 10.6 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.118 0.485 . . . . 0.0 110.433 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . 0.413 ' N ' ' HD3' ' A' 1326 ' ' PRO . 28.7 t70 -156.83 56.36 1.17 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.307 -177.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . 0.431 ' HA ' HD12 ' A' 1322 ' ' LEU . 95.6 Cg_endo -85.0 17.39 1.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.462 2.108 . . . . 0.0 113.36 -172.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . 0.469 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -100.09 -7.58 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.787 0.327 . . . . 0.0 110.955 177.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 18.2 m -90.97 108.36 27.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.47 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' 1327 ' ' ALA . 28.2 Cg_exo -62.61 -34.51 74.36 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.981 2.454 . . . . 0.0 112.001 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 8.6 p30 -61.33 -30.43 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.673 177.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 12.1 tp -77.18 -34.76 56.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.064 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.512 ' CE ' HD11 ' A' 1322 ' ' LEU . 1.4 mptm? -64.51 -38.62 91.66 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.275 0.56 . . . . 0.0 109.817 172.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 39.8 m -66.81 -48.46 68.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.055 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.27 -37.14 84.33 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.956 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . 0.513 ' HG ' ' OG ' ' A' 1260 ' ' SER . 1.6 tm? -56.7 -53.0 62.73 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.78 84.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.28 81.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' 1342 ' ' VAL . . . -68.14 -38.05 81.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.726 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.54 96.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.632 177.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' 1340 ' ' ARG . 27.1 mmt180 -65.66 -37.53 86.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.311 176.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.83 88.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.455 176.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' 1346 ' ' ILE . 82.7 t -60.81 -52.61 59.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.732 178.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.3 m -61.03 -45.58 94.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.357 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -38.06 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.436 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 43.2 m -66.36 -37.67 85.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.704 0.288 . . . . 0.0 110.63 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' 1342 ' ' VAL . 94.0 mt -58.07 -52.99 51.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.086 175.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.44 -43.03 88.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.144 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -61.98 -42.96 99.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.5 -46.16 73.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.767 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' 1346 ' ' ILE . 29.4 mm -63.77 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 88.2 m -56.59 -55.71 30.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.297 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 24.2 ttt -58.91 -45.15 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.184 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 78.4 m . . . . . 0 C--N 1.323 -0.569 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -173.348 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.48 -29.37 70.42 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.499 ' CG2' ' HG2' ' A' 1320 ' ' LYS . 10.5 m -74.5 -25.84 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.106 0.479 . . . . 0.0 109.995 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.38 -44.84 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.143 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.72 -30.33 70.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.821 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' 1216 ' ' VAL . . . -63.75 -40.6 97.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.358 175.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' 1209 ' ' VAL . 39.7 mt -65.63 -40.09 92.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . 0.439 ' C ' ' HD3' ' A' 1214 ' ' ARG . 2.7 tmt_? -59.19 -41.23 88.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.23 -54.12 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.972 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.459 HG13 ' CE2' ' A' 1278 ' ' PHE . 48.9 t -62.06 -45.45 98.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.003 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -61.28 -48.12 87.23 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.743 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.82 -41.94 74.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.845 0.323 . . . . 0.0 110.987 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . 0.478 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -62.61 -44.29 96.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.696 0.284 . . . . 0.0 111.147 -178.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . 0.503 ' HA ' HD23 ' A' 1224 ' ' LEU . 13.3 p -62.05 -36.37 81.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 111.028 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' 1217 ' ' GLY . 49.0 mtmt -74.12 -50.52 19.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 178.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -68.29 -32.67 72.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.317 -172.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.604 ' HB3' HG11 ' A' 1286 ' ' VAL . 91.2 mt -95.89 -48.39 5.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -172.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . 0.696 HD21 HD11 ' A' 1282 ' ' LEU . 3.7 mm? . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 111.787 -177.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -62.28 -32.14 72.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.591 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -68.25 -34.57 76.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.057 0.456 . . . . 0.0 110.115 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -73.82 -45.26 52.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.398 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.6 m -62.38 -36.88 83.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.302 0.572 . . . . 0.0 110.128 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -61.48 -43.28 99.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.875 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 42.1 tp -65.1 -38.21 89.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.108 177.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 15.4 m120 -59.05 -44.21 91.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.307 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.1 -38.69 75.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.3 0.571 . . . . 0.0 109.976 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -61.61 -42.02 98.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.836 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . 0.486 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -58.03 -51.77 68.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.379 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.35 71.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.215 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.11 -50.52 22.29 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.001 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . 0.451 HD12 ' HB3' ' A' 1252 ' ' ALA . 33.0 tp -66.06 -31.37 72.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.561 0.22 . . . . 0.0 110.946 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -57.5 -41.32 80.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.92 0.391 . . . . 0.0 110.183 174.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' 1254 ' ' THR . 42.1 tt0 -72.49 -38.64 68.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . 0.844 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -55.74 -46.43 77.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.952 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' 1257 ' ' VAL . . . -66.38 -38.57 87.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 110.284 175.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' 1251 ' ' GLN . 39.2 m -58.25 -40.89 82.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.484 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.58 -29.19 69.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.179 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.529 ' HB3' HD21 ' A' 1335 ' ' LEU . 22.4 mt -73.34 -30.9 63.64 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.397 174.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' 1253 ' ' ALA . 66.5 t -60.9 -53.84 43.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.57 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.68 -38.58 91.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.043 0.449 . . . . 0.0 111.023 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.83 83.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.294 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . 0.461 ' HB3' HD22 ' A' 1335 ' ' LEU . 96.1 p -57.93 -32.41 67.75 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -111.97 21.88 15.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.972 0.415 . . . . 0.0 111.015 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.29 -87.79 0.96 Allowed Glycine 0 N--CA 1.436 -1.321 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 68.4 p -145.46 151.13 46.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.475 0.178 . . . . 0.0 111.225 -176.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . 0.682 ' HA ' HD12 ' A' 1267 ' ' LEU . 50.0 Cg_exo -58.91 -27.28 84.07 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.77 2.313 . . . . 0.0 111.571 173.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' 1269 ' ' ARG . 76.2 mt-30 -68.1 -42.35 80.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.507 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.33 -37.39 80.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' 1264 ' ' PRO . 45.1 mt -55.02 -47.99 74.0 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.86 174.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -59.47 -53.93 52.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' 1265 ' ' GLN . 19.3 mtm180 -57.49 -38.56 74.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.382 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -68.07 -41.31 82.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.074 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . 0.465 ' OG ' HG12 ' A' 1209 ' ' VAL . 34.6 m -62.56 -45.2 94.04 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.875 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.65 97.28 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.887 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -68.47 -42.65 78.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.514 0.197 . . . . 0.0 110.923 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . 0.844 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 68.7 t80 -57.92 -52.79 64.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.813 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -64.69 -35.76 92.32 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.213 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -69.6 -52.74 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.657 0.265 . . . . 0.0 111.131 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.85 -36.69 85.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.459 ' CE2' HG13 ' A' 1216 ' ' VAL . 88.3 t80 -59.12 -38.08 78.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.773 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 49.3 m -56.32 -50.83 70.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 10.2 m -61.76 -42.18 98.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.789 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . 0.643 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 79.8 t80 -60.11 -51.39 69.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.087 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.696 HD11 HD21 ' A' 1224 ' ' LEU . 23.1 tp -67.09 -39.56 86.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -175.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.42 -37.4 83.37 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.777 0.323 . . . . 0.0 110.904 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -69.94 -41.1 75.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.834 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.14 -47.28 90.92 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.691 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.604 HG11 ' HB3' ' A' 1223 ' ' LEU . 27.8 m -72.62 -24.53 21.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 122.578 -0.366 . . . . 0.0 111.363 -179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -63.24 -48.22 79.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.486 ' O ' ' HG3' ' A' 1291 ' ' GLN . 23.8 ptm -75.02 -25.49 58.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.719 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -61.85 -33.79 74.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.069 0.461 . . . . 0.0 110.537 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -71.7 -40.54 58.46 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.604 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' 1288 ' ' MET . 1.4 pp0? -77.91 -8.26 57.85 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 122.791 -0.24 . . . . 0.0 111.414 -176.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -52.95 128.75 47.35 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.181 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.95 -62.82 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.182 2.588 . . . . 0.0 113.096 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 77.8 p -95.22 165.81 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.017 0.436 . . . . 0.0 110.674 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.22 -23.23 61.97 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -73.43 -42.52 61.91 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.682 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -59.44 -42.72 92.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.967 0.413 . . . . 0.0 110.179 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' 1302 ' ' VAL . 42.4 ttm180 -63.73 -44.01 94.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.602 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.36 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.088 0.47 . . . . 0.0 111.024 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -61.91 -40.62 96.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.337 -177.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' A' 1305 ' ' LEU . 7.1 p -79.71 -39.1 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.47 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.538 ' HA ' HD12 ' A' 1305 ' ' LEU . 62.3 t -61.52 -35.71 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -176.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 67.3 p -58.09 -46.14 86.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 111.086 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . 0.821 ' HB2' HD23 ' A' 1349 ' ' LEU . 14.6 m-80 -71.88 -31.35 66.34 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.119 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.4 mt -60.5 -40.93 93.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.445 178.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -64.68 -47.02 79.94 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.29 -50.82 54.69 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.634 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -36.58 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.433 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 36.9 t -62.88 -51.92 65.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.648 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . 0.563 ' O ' ' HG3' ' A' 1314 ' ' LYS . 0.0 OUTLIER -62.18 -40.56 96.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 53.1 m -60.42 -37.97 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.615 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 53.3 m -63.61 -43.12 97.82 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.349 0.595 . . . . 0.0 109.971 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.63 ' O ' ' HG ' ' A' 1317 ' ' LEU . 66.7 m -60.78 -48.17 83.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.634 175.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' A' 1310 ' ' MET . 65.2 mttm -59.63 -35.52 74.54 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.031 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.571 HD22 ' HA ' ' A' 1339 ' ' ALA . 29.1 tp -65.89 -50.97 62.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.998 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' A' 1320 ' ' LYS . 91.1 mt -63.34 -30.11 71.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.493 -177.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' 1313 ' ' SER . 89.4 mt -58.46 -45.64 88.18 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.678 0.275 . . . . 0.0 110.824 177.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.47 -35.0 78.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.669 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.95 96.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.893 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . 0.499 ' HG2' ' CG2' ' A' 1209 ' ' VAL . 9.7 mtmp? -59.78 -56.27 23.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 0.0 110.668 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -61.72 -31.32 71.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.015 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.573 HD11 ' HD2' ' A' 1332 ' ' LYS . 20.1 tp -77.73 -16.4 58.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -177.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 50.6 m -81.5 -31.72 32.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.362 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 26.8 p -86.56 -41.28 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.47 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -116.31 90.03 28.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.276 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.29 13.46 2.26 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.729 2.286 . . . . 0.0 111.676 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -100.97 -24.64 14.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.879 -175.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . 0.439 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 10.9 t -74.75 118.33 69.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 110.946 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1328 ' ' SER . 24.4 Cg_exo -63.98 -45.78 9.72 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.226 2.617 . . . . 0.0 112.252 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 42.0 t30 -60.95 -28.14 68.76 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.725 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.6 -30.32 68.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.176 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.573 ' HD2' HD11 ' A' 1322 ' ' LEU . 4.2 mptp? -70.12 -46.79 64.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.177 0.513 . . . . 0.0 109.788 172.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 7.2 m -61.26 -43.79 98.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.155 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.58 -42.61 99.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.997 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' 1256 ' ' LEU . 7.3 tt -61.91 -47.37 85.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.84 80.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.163 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -69.0 -41.17 78.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.539 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.28 -41.91 84.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.309 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . 0.571 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.65 -36.83 81.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.131 0.491 . . . . 0.0 110.319 176.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -62.93 -43.55 98.48 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.906 175.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.44 99.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.628 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.583 ' O ' HG13 ' A' 1346 ' ' ILE . 64.3 t -63.47 -52.56 56.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.448 177.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . 0.486 ' HA ' HD12 ' A' 1346 ' ' ILE . 29.4 m -60.3 -36.65 78.39 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.134 0.493 . . . . 0.0 110.863 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.16 -47.25 74.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.465 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 25.5 m -66.69 -32.31 73.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.392 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.583 HG13 ' O ' ' A' 1342 ' ' VAL . 97.0 mt -59.09 -54.27 36.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.083 0.468 . . . . 0.0 110.141 175.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -66.27 -39.24 89.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -57.93 -38.01 75.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.401 . . . . 0.0 110.689 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.821 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.1 tm? -68.06 -39.6 82.97 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' 1346 ' ' ILE . 46.2 mm -70.3 -40.89 78.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.331 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 23.6 m -64.53 -26.86 68.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.241 0.543 . . . . 0.0 110.69 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 50.4 tpp -78.63 -48.24 15.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.718 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . 0.453 ' HB3' ' HE1' ' A' 1288 ' ' MET . 55.7 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.148 -176.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 . . . . . 0 N--CA 1.461 0.101 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.08 -35.1 46.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.347 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.723 HG21 ' HA ' ' A' 1320 ' ' LYS . 22.9 m -59.89 -38.67 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.156 0.503 . . . . 0.0 110.376 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.3 -33.92 23.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.416 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.24 -37.89 89.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.248 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' 1216 ' ' VAL . . . -63.86 -33.61 76.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.745 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 1209 ' ' VAL . 70.5 mt -62.07 -34.82 77.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . 0.425 ' HA ' ' HD2' ' A' 1214 ' ' ARG . 5.7 tpt180 -65.78 -40.34 91.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.244 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.17 95.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.461 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1212 ' ' ALA . 64.3 t -63.4 -41.43 92.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.483 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.97 -49.61 66.31 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.396 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -60.98 -52.11 66.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 120.313 0.102 . . . . 0.0 111.259 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . 0.503 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -53.11 -48.57 67.73 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.353 0.408 . . . . 0.0 111.205 -175.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . 0.713 ' O ' ' HG ' ' A' 1224 ' ' LEU . 38.2 m -65.63 -55.17 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.151 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 64.7 mttp -67.94 -27.29 66.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -172.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -57.28 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.887 0.375 . . . . 0.0 110.714 176.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.799 ' HB3' HG11 ' A' 1286 ' ' VAL . 89.5 mt -72.14 -60.35 2.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -169.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' 1220 ' ' SER . 4.1 pp . . . . . 0 N--CA 1.466 0.351 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.666 -170.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.201 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.36 -41.79 96.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.244 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.05 -37.5 84.18 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.029 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -61.75 -47.61 84.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.457 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 32.0 m -59.78 -43.25 94.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.085 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -68.12 -43.27 78.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.023 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . 0.405 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 56.4 tp -61.34 -45.88 92.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.098 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -61.69 -37.65 84.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.677 0.275 . . . . 0.0 111.307 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.85 -50.37 56.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.293 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.71 76.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.247 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -60.88 -53.43 57.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.193 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.43 80.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.761 -178.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -60.51 -44.3 97.88 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.532 175.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 37.4 tp -72.84 -31.42 64.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.684 0.278 . . . . 0.0 110.857 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . 0.478 ' ND2' HG23 ' A' 1343 ' ' THR . 13.1 m120 -58.81 -47.71 83.83 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.425 0.631 . . . . 0.0 109.647 174.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' 1254 ' ' THR . 0.0 OUTLIER -70.47 -33.38 71.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.864 179.484 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . 0.782 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -62.66 -40.16 96.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.744 177.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' 1257 ' ' VAL . . . -67.1 -38.09 85.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.217 0.532 . . . . 0.0 109.814 174.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' 1251 ' ' GLN . 94.5 m -59.35 -33.96 71.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.978 177.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.744 ' HG3' ' HG2' ' A' 1273 ' ' ARG . 76.5 mm-40 -55.97 -51.74 66.65 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.769 0.319 . . . . 0.0 110.295 174.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.662 ' HB3' HD11 ' A' 1335 ' ' LEU . 39.1 mt -62.31 -34.7 77.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.723 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' 1253 ' ' ALA . 93.1 t -61.04 -43.58 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 111.109 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -72.29 -33.66 67.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.17 0.51 . . . . 0.0 110.367 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . 0.742 ' HB1' HD22 ' A' 1267 ' ' LEU . . . -74.8 -25.34 58.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.164 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . 0.585 ' O ' ' HG3' ' A' 1332 ' ' LYS . 88.5 p -49.3 -28.83 5.21 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -169.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -63.82 -16.54 61.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.842 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 108.22 82.93 1.48 Allowed Glycine 0 CA--C 1.496 -1.133 0 C-N-CA 120.841 -0.695 . . . . 0.0 114.029 168.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' 1266 ' ' ASP . 73.4 p -143.63 114.43 5.6 Favored Pre-proline 0 N--CA 1.442 -0.871 0 CA-C-N 114.745 -0.727 . . . . 0.0 109.599 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.7 -48.58 18.65 Favored 'Trans proline' 0 N--CA 1.474 0.373 0 C-N-CA 123.512 2.808 . . . . 0.0 113.955 -171.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -70.37 -26.12 63.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.682 -175.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . 0.529 ' HB2' ' OG1' ' A' 1263 ' ' THR . 10.6 m-20 -80.28 -50.85 9.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.609 178.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.742 HD22 ' HB1' ' A' 1259 ' ' ALA . 3.1 mm? -51.36 -54.31 27.65 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.413 0.446 . . . . 0.0 111.212 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -60.84 -47.29 87.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.354 -177.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -61.56 -44.65 96.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.191 0.519 . . . . 0.0 110.052 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.36 -34.4 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.271 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . 0.412 ' OG ' HG12 ' A' 1209 ' ' VAL . 27.5 m -64.03 -45.1 90.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.741 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -69.39 -37.92 80.01 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.533 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . 0.744 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 6.1 tpm_? -60.11 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.534 176.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . 0.782 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 82.2 t80 -63.45 -50.02 71.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.317 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.59 -33.03 85.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.639 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -71.09 -50.65 31.45 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.711 -0.288 . . . . 0.0 110.688 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.43 -33.13 75.16 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.032 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' 1309 ' ' SER . 75.0 t80 -57.86 -44.56 86.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.164 175.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' 1283 ' ' GLU . 19.6 m -58.0 -48.6 79.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.889 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 25.3 m -61.57 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.156 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . 0.468 ' HE2' HG21 ' A' 1308 ' ' ILE . 86.0 t80 -61.55 -47.37 85.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.043 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.503 HD23 ' HB1' ' A' 1219 ' ' ALA . 23.2 tp -66.24 -37.91 86.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -176.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' 1279 ' ' SER . 52.3 mt-10 -64.54 -38.47 91.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.746 0.307 . . . . 0.0 110.597 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.07 85.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.209 0.528 . . . . 0.0 110.139 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . 0.609 ' O ' ' HG3' ' A' 1288 ' ' MET . . . -64.07 -44.31 96.0 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.403 177.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.799 HG11 ' HB3' ' A' 1223 ' ' LEU . 23.0 m -73.17 -24.27 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 O-C-N 122.38 -0.483 . . . . 0.0 111.066 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.36 -45.76 86.32 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 173.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.611 ' SD ' HG21 ' A' 1301 ' ' VAL . 2.5 ppp? -73.53 -26.56 60.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.061 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -70.76 -29.24 65.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.017 0.437 . . . . 0.0 110.298 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -75.68 -25.51 67.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.605 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' 1288 ' ' MET . 5.3 pp0? -85.73 -11.38 53.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.745 0.273 . . . . 0.0 110.759 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -69.43 113.44 16.94 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.171 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 1.7 Cg_endo -81.88 -17.96 8.0 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 123.287 2.658 . . . . 0.0 112.654 -174.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 9.4 m -97.9 131.44 44.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.923 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -67.61 -40.69 84.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -174.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -69.18 -44.19 72.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.492 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -57.04 -42.82 81.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.144 0.497 . . . . 0.0 110.176 175.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' 1302 ' ' VAL . 39.3 ttp180 -67.46 -40.29 85.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.869 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.28 90.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.978 0.418 . . . . 0.0 110.421 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -65.17 -44.51 88.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.205 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.611 HG21 ' SD ' ' A' 1288 ' ' MET . 14.4 p -66.64 -31.83 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.657 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' 1298 ' ' ARG . 77.1 t -65.37 -41.4 91.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.534 0.207 . . . . 0.0 111.247 177.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.0 p -65.55 -27.59 68.55 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.911 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . 0.722 ' HB2' HD23 ' A' 1349 ' ' LEU . 35.4 m-20 -70.34 -42.17 72.25 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' 1301 ' ' VAL . 92.2 mt -59.94 -42.02 93.1 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.696 178.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -58.05 -46.78 84.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.608 0.242 . . . . 0.0 110.358 175.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -55.01 -48.42 67.5 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.619 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . 0.468 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -72.27 -37.12 57.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.395 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 61.6 m -63.0 -49.6 74.03 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.886 0.374 . . . . 0.0 111.24 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . 0.467 ' O ' ' HG3' ' A' 1314 ' ' LYS . 26.2 ptt? -67.28 -34.2 76.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.634 -177.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 50.1 m -69.19 -36.8 77.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.513 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 58.8 m -64.01 -38.68 91.97 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.551 0.691 . . . . 0.0 109.455 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.566 ' O ' ' HG ' ' A' 1317 ' ' LEU . 49.5 m -59.37 -50.42 74.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.308 175.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.607 ' HA ' HD12 ' A' 1317 ' ' LEU . 59.3 mttm -63.98 -35.29 80.2 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.272 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.567 HD22 ' HA ' ' A' 1339 ' ' ALA . 45.3 tp -63.52 -48.95 75.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.662 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.06 -31.36 72.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' 1314 ' ' LYS . 96.2 mt -62.05 -38.03 87.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.618 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.51 -38.85 74.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.306 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.66 -35.59 81.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.06 0.457 . . . . 0.0 110.487 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . 0.723 ' HA ' HG21 ' A' 1209 ' ' VAL . 18.9 ttmm -55.43 -56.83 15.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.753 174.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.18 70.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.271 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.576 HD21 ' HA ' ' A' 1260 ' ' SER . 44.5 tp -76.84 -28.42 55.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.622 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 47.4 m -72.05 -30.28 65.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.815 0.341 . . . . 0.0 110.579 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 9.2 t -93.69 -20.97 19.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.075 0.464 . . . . 0.0 110.349 177.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 9.6 t0 -132.01 85.82 49.26 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.214 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -91.78 20.62 0.85 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.725 2.283 . . . . 0.0 111.55 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -108.28 -36.31 6.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.926 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.1 m -70.78 112.04 11.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.01 -34.16 71.52 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.872 2.381 . . . . 0.0 112.772 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -62.72 -25.71 68.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.121 0.486 . . . . 0.0 110.832 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.62 -32.42 47.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.083 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.2 mptm? -63.31 -48.76 76.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.108 0.48 . . . . 0.0 110.1 175.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 49.8 m -63.34 -40.59 97.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.713 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -64.73 -41.3 96.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . 0.662 HD11 ' HB3' ' A' 1256 ' ' LEU . 2.3 tm? -58.08 -52.33 65.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -62.53 -35.83 80.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.133 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -68.39 -43.37 77.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.827 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.78 -39.78 91.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.435 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . 0.567 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -60.89 -40.73 94.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' 1336 ' ' ALA . 34.5 mmt180 -68.52 -33.82 74.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.476 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -67.1 -42.16 85.07 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' 1338 ' ' ALA . 86.8 t -60.19 -51.4 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . 0.499 ' HA ' HD12 ' A' 1346 ' ' ILE . 28.6 m -59.35 -41.14 88.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.841 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' 1348 ' ' GLN . 22.2 t70 -58.85 -48.18 82.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.549 177.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 20.9 m -61.62 -36.5 80.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.633 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.636 ' O ' HG12 ' A' 1350 ' ' ILE . 89.1 mt -57.49 -51.2 72.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.923 174.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -58.36 -39.57 79.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.353 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' 1344 ' ' ASP . 12.7 mm100 -66.12 -35.24 79.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.722 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.2 tm? -73.18 -45.04 58.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.636 HG12 ' O ' ' A' 1346 ' ' ILE . 44.0 mm -58.73 -48.73 85.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 91.0 m -57.68 -38.02 74.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.929 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 96.0 mmm -66.18 -29.19 69.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 110.815 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 21.6 m . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.585 -178.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . 0.675 ' HA ' ' HB3' ' A' 1211 ' ' ASN . 1.6 m-20 -63.94 -22.72 67.05 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -174.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.53 ' O ' ' HG ' ' A' 1213 ' ' LEU . 45.4 t -68.54 -38.98 79.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.419 0.628 . . . . 0.0 109.308 176.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.49 -33.71 31.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.318 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . 0.675 ' HB3' ' HA ' ' A' 1208 ' ' ASP . 31.9 t30 -56.69 -41.94 78.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.158 175.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' 1216 ' ' VAL . . . -66.74 -36.1 81.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.727 177.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' 1209 ' ' VAL . 66.2 mt -62.74 -41.49 99.22 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 60.5 ttp85 -58.3 -40.45 82.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.068 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -65.28 -51.13 62.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.485 ' HA ' ' CE2' ' A' 1278 ' ' PHE . 73.5 t -58.88 -50.82 78.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.75 -46.24 90.33 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.78 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.17 -45.51 88.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.452 0.168 . . . . 0.0 110.921 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . 0.493 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -62.4 -33.44 74.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.012 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 56.4 m -66.54 -42.58 86.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.809 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -78.68 -26.66 44.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.872 0.368 . . . . 0.0 111.043 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -76.43 -42.61 43.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.359 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.541 HD11 ' HG2' ' A' 1283 ' ' GLU . 40.9 mt -110.53 -52.69 2.76 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' A' 1224 ' ' LEU . 55.7 tp . . . . . 0 N--CA 1.44 -0.948 0 CA-C-O 121.629 0.728 . . . . 0.0 110.963 -169.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.938 0.399 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -62.61 -38.66 91.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.403 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.73 92.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.428 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . 0.5 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 36.3 tt0 -62.27 -51.88 65.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.755 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 49.4 m -61.09 -32.38 72.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -71.51 -41.07 69.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.92 -42.13 88.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.983 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -58.05 -45.29 87.27 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.28 -46.35 61.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.668 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . 0.772 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -64.01 -36.3 83.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.075 -176.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -62.12 -53.43 55.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.153 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.51 72.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.253 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.71 -46.24 92.48 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.825 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' 1278 ' ' PHE . 29.5 tp -74.98 -29.84 61.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.65 0.262 . . . . 0.0 110.644 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 10.2 m120 -59.22 -44.64 92.29 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.323 0.582 . . . . 0.0 109.74 173.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.467 ' O ' ' HB ' ' A' 1254 ' ' THR . 24.7 tm0? -71.48 -38.3 71.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.844 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . 0.737 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -60.53 -44.0 96.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.136 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' 1257 ' ' VAL . . . -65.17 -39.12 92.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.869 0.366 . . . . 0.0 110.155 176.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . 0.467 ' HB ' ' O ' ' A' 1251 ' ' GLN . 52.0 m -54.37 -41.25 68.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.884 175.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' 1251 ' ' GLN . 8.8 mm-40 -59.19 -45.34 91.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.558 ' HB3' HD21 ' A' 1335 ' ' LEU . 26.7 mt -64.73 -37.04 86.24 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 121.111 -0.235 . . . . 0.0 110.711 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' 1253 ' ' ALA . 64.7 t -57.96 -49.87 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.855 0.36 . . . . 0.0 110.554 177.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . 0.413 HE21 ' HB2' ' A' 1258 ' ' GLN . 17.3 mt-30 -66.81 -43.91 82.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.297 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . 0.57 ' HB1' ' HA ' ' A' 1267 ' ' LEU . . . -59.65 -39.99 86.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.095 -176.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . 0.459 ' HB3' HD13 ' A' 1335 ' ' LEU . 97.8 p -58.35 -34.06 70.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.115 0.484 . . . . 0.0 110.591 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -102.45 21.42 15.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.732 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -125.68 -99.2 1.17 Allowed Glycine 0 N--CA 1.436 -1.317 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 43.3 p -137.49 153.37 74.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 120.514 0.197 . . . . 0.0 110.988 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -59.07 -29.34 90.34 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.671 2.247 . . . . 0.0 111.643 174.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.34 -45.65 83.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.469 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.04 -43.28 83.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.453 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.57 ' HA ' ' HB1' ' A' 1259 ' ' ALA . 42.1 tp -56.14 -45.99 79.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.391 178.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' 1271 ' ' SER . . . -61.11 -49.6 76.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -63.95 -36.75 85.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.905 0.384 . . . . 0.0 110.388 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.63 86.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' 1268 ' ' ALA . 37.5 m -55.76 -43.46 76.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.691 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.57 -38.42 96.27 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.249 -176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -72.1 -43.77 64.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.621 0.248 . . . . 0.0 110.508 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . 0.737 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 83.8 t80 -55.76 -50.82 69.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.426 -176.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.72 -35.55 92.17 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.408 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.74 -48.94 57.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.682 0.277 . . . . 0.0 110.932 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -33.1 74.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.093 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' 1216 ' ' VAL . 72.5 t80 -59.64 -44.76 93.39 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.711 0.291 . . . . 0.0 110.265 175.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . 0.557 ' O ' ' HG3' ' A' 1283 ' ' GLU . 47.1 m -58.27 -47.45 83.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.42 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 27.3 m -60.33 -44.51 95.42 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . 0.772 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 85.3 t80 -61.86 -45.72 92.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.979 178.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' 1286 ' ' VAL . 31.2 tp -66.29 -41.65 89.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.79 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' 1279 ' ' SER . 50.3 mt-10 -58.37 -39.54 79.85 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.764 0.316 . . . . 0.0 110.593 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -70.25 -42.14 72.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.772 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . 0.604 ' O ' ' HG3' ' A' 1288 ' ' MET . . . -61.93 -49.65 73.46 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.661 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' 1282 ' ' LEU . 10.0 t -69.15 -24.44 28.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.156 0.503 . . . . 0.0 110.007 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' 1291 ' ' GLN . 35.5 tt0 -65.94 -46.89 76.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.245 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.733 ' SD ' HG21 ' A' 1301 ' ' VAL . 3.8 ppp? -70.21 -28.82 65.59 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.81 73.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.113 0.482 . . . . 0.0 109.928 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -72.78 -28.44 67.07 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.964 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' 1287 ' ' GLU . 81.3 mm-40 -62.15 -44.96 95.46 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 175.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -62.52 116.3 22.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.499 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 5.8 Cg_exo -79.73 -32.52 1.53 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.16 2.573 . . . . 0.0 112.679 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 35.3 m -77.89 134.47 37.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.825 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -66.05 -41.04 91.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.378 -176.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.02 -35.71 81.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.608 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -73.88 -43.03 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.901 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.528 ' O ' HG23 ' A' 1302 ' ' VAL . 36.6 ttm180 -64.13 -52.92 56.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.285 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.82 67.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.372 -177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -64.74 -52.96 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.431 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.733 HG21 ' SD ' ' A' 1288 ' ' MET . 10.2 p -70.23 -29.12 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.167 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.552 ' HA ' HD12 ' A' 1305 ' ' LEU . 78.7 t -64.38 -31.36 53.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.161 0.505 . . . . 0.0 110.46 175.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 49.5 m -68.09 -37.34 81.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.253 175.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . 0.622 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 49.0 m-20 -62.94 -44.51 95.86 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.597 HD23 HD11 ' A' 1349 ' ' LEU . 96.0 mt -55.95 -51.3 68.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.322 -178.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -64.29 -38.93 92.8 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.44 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . 0.435 ' O ' ' HG3' ' A' 1310 ' ' MET . . . -57.6 -44.79 93.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.733 -178.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . 0.443 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -77.89 -36.54 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 122.506 -0.408 . . . . 0.0 110.363 178.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . 0.424 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 56.3 m -62.22 -38.78 90.47 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.883 0.373 . . . . 0.0 111.21 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . 0.79 ' O ' ' HD3' ' A' 1314 ' ' LYS . 0.0 OUTLIER -74.03 -36.19 64.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.021 178.413 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 70.7 m -61.19 -43.19 99.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.658 0.265 . . . . 0.0 110.983 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 9.9 p -69.0 -37.37 78.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.335 0.588 . . . . 0.0 110.324 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.414 ' O ' ' HG ' ' A' 1317 ' ' LEU . 42.1 t -60.89 -52.78 63.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.515 176.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.79 ' HD3' ' O ' ' A' 1310 ' ' MET . 3.6 mptp? -64.84 -29.85 70.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.947 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.653 HD22 ' HA ' ' A' 1339 ' ' ALA . 19.1 tp -62.48 -51.95 65.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 111.038 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.487 ' O ' ' HG3' ' A' 1320 ' ' LYS . 81.7 mt -60.88 -26.66 67.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.398 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' 1314 ' ' LYS . 96.8 mt -60.35 -35.26 75.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -71.28 -33.38 69.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.949 0.404 . . . . 0.0 110.242 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.95 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.692 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' 1316 ' ' LEU . 41.3 mtpt -58.55 -54.04 51.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.04 177.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -67.0 -33.18 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.196 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.435 HD11 ' NZ ' ' A' 1332 ' ' LYS . 34.7 tp -70.15 -23.75 63.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.06 -177.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 50.5 m -78.14 -23.28 47.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.972 0.415 . . . . 0.0 110.178 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 35.7 m -83.01 -52.14 6.93 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.626 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . 0.402 ' HB3' ' OG ' ' A' 1328 ' ' SER . 0.5 OUTLIER -123.16 88.46 51.14 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.941 176.428 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -76.24 -15.48 18.08 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 123.069 2.513 . . . . 0.0 113.549 -171.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -91.37 2.33 56.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . 0.402 ' OG ' ' HB3' ' A' 1325 ' ' ASP . 4.8 m -72.94 112.22 14.52 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.134 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -60.28 -53.15 3.2 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.461 2.774 . . . . 0.0 113.75 -174.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -70.93 -18.12 62.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.14 0.495 . . . . 0.0 110.909 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 15.2 tp -70.99 -25.27 62.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.764 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.435 ' NZ ' HD11 ' A' 1322 ' ' LEU . 4.9 mptp? -71.01 -50.89 29.19 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.079 173.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 5.1 p -64.44 -35.06 79.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.501 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -61.27 -44.06 97.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.877 0.37 . . . . 0.0 110.278 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . 0.558 HD21 ' HB3' ' A' 1256 ' ' LEU . 7.0 tt -66.19 -45.09 82.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.876 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -59.09 -41.64 88.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.989 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.75 78.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' 1342 ' ' VAL . . . -68.47 -41.23 80.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.777 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . 0.653 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -64.89 -35.49 81.31 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.165 0.507 . . . . 0.0 110.249 177.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -64.13 -41.7 97.11 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.88 175.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.47 96.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.673 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' 1338 ' ' ALA . 61.4 t -56.56 -50.09 74.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.853 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 39.5 m -58.82 -45.53 89.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.315 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -64.07 -38.68 91.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.476 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 73.8 m -68.73 -38.3 80.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.724 0.297 . . . . 0.0 110.962 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' 1342 ' ' VAL . 92.3 mt -59.15 -49.23 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 173.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -56.01 -45.22 79.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.755 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -55.93 -41.86 75.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.804 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.597 HD11 HD23 ' A' 1305 ' ' LEU . 0.5 OUTLIER -67.25 -39.71 86.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.563 HD11 ' HB2' ' A' 1246 ' ' ALA . 38.5 mm -71.19 -38.26 69.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.202 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 15.6 m -62.81 -30.54 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.195 0.521 . . . . 0.0 110.573 177.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 23.9 mmt -80.14 -46.04 17.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.139 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 40.8 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.148 0.499 . . . . 0.0 111.09 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.413 0.149 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -40.56 98.06 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.446 0.165 . . . . 0.0 111.253 177.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.583 ' CG2' ' HG2' ' A' 1320 ' ' LYS . 16.0 m -73.75 -30.16 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.955 0.407 . . . . 0.0 110.106 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -73.81 -44.47 55.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.555 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.36 -39.84 88.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.129 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.8 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.628 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' 1209 ' ' VAL . 41.3 mt -63.07 -38.22 90.32 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.912 177.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -67.03 -41.12 87.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.455 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -55.96 -45.0 79.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.509 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.566 HG13 ' CE2' ' A' 1278 ' ' PHE . 47.8 t -70.16 -40.23 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.426 176.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.34 -45.72 92.6 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.12 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -65.56 -44.27 87.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.609 -0.348 . . . . 0.0 110.535 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . 0.482 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -63.34 -42.71 98.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.597 -177.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . 0.458 ' HA ' HD23 ' A' 1224 ' ' LEU . 8.4 p -63.74 -37.62 88.06 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.211 -0.196 . . . . 0.0 111.458 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -78.63 -31.71 47.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.014 0.435 . . . . 0.0 111.576 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -71.96 -42.85 66.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.912 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.609 ' HB3' ' CG1' ' A' 1286 ' ' VAL . 48.8 mt -98.22 -59.78 1.68 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.592 -171.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . 0.529 HD12 HG13 ' A' 1302 ' ' VAL . 3.3 mm? . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.121 0.486 . . . . 0.0 109.875 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 25.0 tp60 . . . . . 0 C--O 1.233 0.232 0 N-CA-C 111.387 0.143 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.62 -35.77 81.79 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.92 0.391 . . . . 0.0 110.499 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -69.83 -47.82 61.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.863 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.8 -47.39 82.72 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.631 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 9.0 t -61.38 -36.85 81.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.958 0.408 . . . . 0.0 110.352 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -72.79 -46.66 52.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.553 0.692 . . . . 0.0 109.649 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . 0.441 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 48.8 tp -64.04 -41.67 97.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.082 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -64.77 -38.24 90.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.156 0.503 . . . . 0.0 110.035 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.71 -48.65 76.24 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.099 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.56 95.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.651 -177.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . 0.454 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -56.66 -51.77 67.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.926 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.2 75.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.522 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.69 -39.39 77.52 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.152 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.3 tp -73.39 -30.09 63.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.56 0.219 . . . . 0.0 110.651 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -56.46 -46.6 80.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.05 0.452 . . . . 0.0 110.094 174.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.556 ' O ' ' HG2' ' A' 1255 ' ' GLU . 51.3 tp60 -73.15 -29.64 63.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.412 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -60.67 -45.03 95.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.865 0.364 . . . . 0.0 110.413 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.71 80.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.459 0.647 . . . . 0.0 109.905 174.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . 0.513 ' HB ' ' O ' ' A' 1251 ' ' GLN . 43.6 m -58.89 -40.08 83.36 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.148 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' 1251 ' ' GLN . 57.2 mm-40 -60.57 -41.57 94.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.524 ' HB3' HD21 ' A' 1335 ' ' LEU . 34.3 mt -63.74 -37.02 85.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.61 0.243 . . . . 0.0 111.05 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 53.2 t -64.29 -46.21 93.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.04 0.447 . . . . 0.0 110.418 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -63.62 -33.99 76.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.299 0.571 . . . . 0.0 110.456 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -69.62 -30.37 68.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.078 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . 0.412 ' HB3' ' HG3' ' A' 1332 ' ' LYS . 45.5 m -60.51 -36.57 78.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.163 0.506 . . . . 0.0 110.483 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -99.95 20.23 14.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.241 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.19 -97.63 1.54 Allowed Glycine 0 N--CA 1.439 -1.142 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . . . . . . . . . 43.0 p -145.66 155.24 52.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.738 0.269 . . . . 0.0 110.897 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . 0.794 ' HA ' HD12 ' A' 1267 ' ' LEU . 9.3 Cg_endo -55.07 -34.99 89.32 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.008 2.472 . . . . 0.0 112.032 172.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -72.07 -33.31 67.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.709 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.11 -39.6 71.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' 1264 ' ' PRO . 35.1 mt -53.95 -48.37 70.33 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.591 172.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.69 67.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.386 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -63.45 -37.15 86.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 0.0 110.271 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.87 78.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.769 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . 0.522 ' OG ' HG12 ' A' 1209 ' ' VAL . 21.0 m -64.98 -40.77 95.46 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.97 -38.06 95.51 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.077 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . 0.544 ' HA ' ' HE ' ' A' 1273 ' ' ARG . 0.3 OUTLIER -71.66 -50.86 26.63 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 177.547 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . 0.591 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 84.0 t80 -56.95 -51.3 69.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.401 -177.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.32 -44.05 98.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.152 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' A' 1276 ' ' GLN . 6.7 tp60 -72.12 -39.65 68.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -176.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.61 -38.49 77.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.296 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.566 ' CE2' HG13 ' A' 1216 ' ' VAL . 63.8 t80 -55.16 -39.58 69.68 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.334 177.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 14.3 t -53.69 -49.86 67.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.973 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 31.7 m -63.78 -37.97 89.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.261 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . 0.454 ' HE2' HG21 ' A' 1308 ' ' ILE . 85.2 t80 -63.21 -50.62 69.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.92 177.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.482 HD23 ' HB1' ' A' 1219 ' ' ALA . 26.0 tp -65.24 -36.87 85.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 -176.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . 0.47 ' O ' HG22 ' A' 1286 ' ' VAL . 43.6 mt-10 -65.32 -27.63 68.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -76.06 -25.53 55.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.209 0.528 . . . . 0.0 110.428 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -66.5 -34.54 88.02 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.644 -0.707 . . . . 0.0 113.014 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.609 ' CG1' ' HB3' ' A' 1223 ' ' LEU . 34.2 m -72.48 -23.34 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.872 0.336 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.44 -36.41 84.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.539 ' O ' ' HG2' ' A' 1291 ' ' GLN . 68.0 mmm -72.18 -50.33 28.56 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.577 176.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . 0.402 ' HA ' HG11 ' A' 1301 ' ' VAL . . . -63.28 -33.61 75.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.254 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -77.34 -22.7 69.94 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.963 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' 1288 ' ' MET . 3.5 pt20 -89.8 0.03 57.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.078 0.466 . . . . 0.0 110.216 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . 0.45 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -93.25 111.42 51.86 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.827 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.5 Cg_exo -74.49 -43.09 0.52 Allowed 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.212 2.608 . . . . 0.0 112.666 -176.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 9.4 m -72.98 129.18 37.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.107 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -61.14 -37.62 83.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.322 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -66.11 -44.41 84.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.006 0.431 . . . . 0.0 110.389 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.52 -41.23 93.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.156 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' 1302 ' ' VAL . 40.9 ttm180 -62.87 -43.49 98.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.321 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -62.97 -38.35 90.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.532 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -61.0 -48.64 80.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.283 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.402 HG11 ' HA ' ' A' 1289 ' ' ALA . 12.3 p -68.53 -32.74 56.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 120.682 0.277 . . . . 0.0 110.709 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.529 HG13 HD12 ' A' 1224 ' ' LEU . 42.9 t -67.82 -31.54 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.395 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 55.7 m -54.82 -40.99 70.13 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.723 0.297 . . . . 0.0 111.25 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . 0.804 ' HB2' HD23 ' A' 1349 ' ' LEU . 2.6 m-80 -73.57 -36.39 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' 1302 ' ' VAL . 97.4 mt -59.64 -48.2 82.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.313 178.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -62.03 -46.48 88.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.964 175.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.17 -49.46 59.52 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.335 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' 1308 ' ' ILE . 0.0 OUTLIER -74.21 -35.48 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 110.464 -0.198 . . . . 0.0 110.464 -178.173 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . 0.542 ' HA ' ' CZ ' ' A' 1278 ' ' PHE . 28.1 t -66.69 -39.29 88.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.055 0.455 . . . . 0.0 110.887 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . 0.424 ' O ' ' HG3' ' A' 1314 ' ' LYS . 54.9 mtt -77.47 -39.89 44.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.119 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 64.3 m -65.3 -35.46 81.07 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.061 -0.255 . . . . 0.0 111.2 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 10.5 p -68.12 -38.14 81.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.138 0.494 . . . . 0.0 110.086 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.552 ' O ' ' HG ' ' A' 1317 ' ' LEU . 71.0 m -57.78 -50.6 72.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.149 173.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.51 ' HA ' HD12 ' A' 1317 ' ' LEU . 57.5 mttm -65.0 -31.97 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.043 -178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.31 -49.04 73.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.068 0.461 . . . . 0.0 110.608 176.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' 1320 ' ' LYS . 81.5 mt -66.23 -30.31 70.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' 1313 ' ' SER . 93.0 mt -61.18 -41.37 96.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 110.476 175.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -65.05 -36.4 84.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.322 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.88 82.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.959 178.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . 0.583 ' HG2' ' CG2' ' A' 1209 ' ' VAL . 5.7 mtpm? -57.33 -55.24 37.28 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.405 0.621 . . . . 0.0 110.071 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.47 87.6 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.163 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . . . . . . . . . 23.4 tp -70.17 -27.42 64.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.139 -177.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . 0.495 ' HA ' ' HB3' ' A' 1264 ' ' PRO . 50.3 m -73.77 -28.75 61.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.863 0.363 . . . . 0.0 110.578 176.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 34.7 p -88.21 -30.52 19.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 110.97 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 23.2 t0 -134.28 86.06 37.03 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.941 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -87.77 10.72 3.38 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 122.592 2.194 . . . . 0.0 112.491 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -103.9 -5.11 22.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.128 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 67.3 m -85.68 113.41 51.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.057 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.96 -43.08 16.78 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.784 2.323 . . . . 0.0 112.631 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 6.1 t30 -64.49 -30.63 71.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.008 0.432 . . . . 0.0 110.637 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' 1331 ' ' LEU . 12.1 tp -66.59 -33.88 76.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.55 -178.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.412 ' HG3' ' HB3' ' A' 1260 ' ' SER . 2.4 mptm? -65.14 -46.22 81.79 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.113 0.482 . . . . 0.0 110.298 173.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 19.2 m -66.13 -37.08 84.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.09 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -64.71 -45.36 86.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.0 tt -60.56 -44.09 96.54 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.07 77.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.029 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -70.24 -35.3 73.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 110.783 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' 1342 ' ' VAL . . . -72.23 -40.42 67.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.469 176.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -61.83 -36.97 82.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.1 0.476 . . . . 0.0 110.461 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -58.68 -46.39 87.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.942 173.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.4 98.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.836 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' 1346 ' ' ILE . 85.0 t -61.87 -53.02 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.515 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . 0.503 ' HA ' HD12 ' A' 1346 ' ' ILE . 27.4 m -61.86 -38.84 89.75 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.046 0.45 . . . . 0.0 110.688 -177.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.93 -50.25 74.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.825 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 54.0 m -68.35 -29.73 68.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.387 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.608 ' O ' HG12 ' A' 1350 ' ' ILE . 95.1 mt -58.73 -54.83 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.094 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 174.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -68.03 -38.75 82.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.846 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -57.03 -37.95 72.47 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.037 0.446 . . . . 0.0 110.644 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -67.97 -46.78 70.43 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.387 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' 1346 ' ' ILE . 40.9 mm -61.08 -44.66 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.295 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 87.4 m -49.61 -50.31 43.26 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.642 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 18.2 ptp -80.54 -27.37 37.6 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.411 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 98.7 m . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.536 0.208 . . . . 0.0 111.538 -178.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.41 -42.22 66.79 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.806 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 33.1 m -63.7 -28.82 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.034 0.445 . . . . 0.0 111.042 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -82.91 -45.02 14.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.675 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -60.94 -33.06 72.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.11 98.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.342 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . 0.553 HD11 ' HD2' ' A' 1320 ' ' LYS . 42.7 mt -66.55 -32.49 73.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 178.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -64.89 -48.59 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.982 175.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -59.23 -47.96 83.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.447 HG13 ' CE2' ' A' 1278 ' ' PHE . 97.2 t -62.0 -36.88 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.015 0.436 . . . . 0.0 110.147 176.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.75 -45.49 94.24 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.561 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -55.21 -49.91 70.74 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.15 0.5 . . . . 0.0 110.32 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . 0.78 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -64.2 -40.58 96.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.916 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . 0.559 ' O ' ' HB2' ' A' 1224 ' ' LEU . 50.0 m -67.17 -32.21 73.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.929 0.395 . . . . 0.0 111.03 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 84.6 tttt -76.75 -43.85 35.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.889 0.376 . . . . 0.0 110.814 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -69.03 -53.29 21.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.157 0.503 . . . . 0.0 111.559 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.777 ' HB3' HG21 ' A' 1286 ' ' VAL . 56.5 mt -91.24 -42.79 10.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.746 -165.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' 1220 ' ' SER . 3.9 mm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.561 0.696 . . . . 0.0 110.632 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--O 1.227 -0.079 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.89 -38.56 79.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.168 0.508 . . . . 0.0 110.29 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.59 76.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.066 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -62.93 -42.72 99.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.661 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 22.6 m -58.1 -36.28 72.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.195 0.522 . . . . 0.0 110.628 176.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -67.29 -36.15 80.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.316 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . 0.584 HD22 ' HB1' ' A' 1284 ' ' ALA . 3.7 mm? -60.29 -36.33 77.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.097 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . 0.402 HD22 ' N ' ' A' 1243 ' ' ASN . 1.0 OUTLIER -65.69 -47.41 75.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.99 0.424 . . . . 0.0 110.583 -176.107 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.46 -44.37 78.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.774 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -67.55 -36.96 81.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.59 -177.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.19 95.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.208 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.17 86.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.743 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -64.25 -49.47 65.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.082 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . 0.447 HD12 ' HB3' ' A' 1252 ' ' ALA . 34.4 tp -70.68 -31.32 68.17 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.827 -0.22 . . . . 0.0 110.818 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -52.71 -51.29 61.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.324 0.583 . . . . 0.0 109.726 173.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.473 ' O ' ' HG3' ' A' 1255 ' ' GLU . 52.1 tt0 -69.51 -36.4 76.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.766 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . 0.681 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -57.76 -47.53 82.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.969 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' 1257 ' ' VAL . . . -64.98 -40.26 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 0.0 110.223 175.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.4 m -55.59 -40.75 72.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.161 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' 1251 ' ' GLN . 36.0 mt-10 -67.64 -30.25 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.297 -178.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' 1256 ' ' LEU . 9.4 mt -70.1 -37.21 75.32 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.658 0.266 . . . . 0.0 110.306 173.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' 1253 ' ' ALA . 21.9 t -61.99 -56.98 14.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.765 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -65.17 -30.98 71.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.337 -176.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.53 69.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.905 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . 0.559 ' HB2' ' HG3' ' A' 1332 ' ' LYS . 95.9 p -65.26 -27.53 68.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.874 0.368 . . . . 0.0 111.284 -176.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -101.17 11.91 38.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -119.92 -69.39 0.31 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.327 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 2.0 t -164.95 142.85 5.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.825 0.345 . . . . 0.0 111.082 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . 0.685 ' HA ' HD12 ' A' 1267 ' ' LEU . 54.2 Cg_exo -55.51 -24.66 45.38 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.203 2.602 . . . . 0.0 112.26 175.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -69.49 -30.6 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.458 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 26.1 t0 -80.42 -31.13 37.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.76 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' 1264 ' ' PRO . 79.2 mt -57.2 -35.71 69.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.35 172.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' 1271 ' ' SER . . . -66.69 -48.57 68.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.624 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -57.92 -45.36 86.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.207 176.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.63 -35.53 80.83 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.137 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' 1268 ' ' ALA . 36.0 m -57.39 -49.74 75.21 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.981 175.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -66.67 -41.78 93.69 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.331 -0.937 . . . . 0.0 111.656 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . 0.436 ' HG2' ' OE2' ' A' 1255 ' ' GLU . 15.7 tpp180 -59.83 -52.41 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.33 . . . . 0.0 111.021 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . 0.681 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 74.3 t80 -58.24 -51.33 70.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.235 -176.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.5 -34.66 90.54 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.773 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.15 -52.34 19.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.778 0.323 . . . . 0.0 110.761 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -32.07 72.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.099 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.447 ' CE2' HG13 ' A' 1216 ' ' VAL . 76.7 t80 -60.63 -42.21 96.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.725 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 50.2 m -58.47 -40.41 82.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.835 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 41.6 m -69.1 -41.3 77.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . 0.481 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 90.7 t80 -65.25 -45.86 82.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.192 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.78 HD23 ' HB1' ' A' 1219 ' ' ALA . 27.4 tp -63.44 -42.38 98.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.263 -175.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . 0.496 ' HG2' HD11 ' A' 1223 ' ' LEU . 43.2 mt-10 -61.82 -33.37 74.02 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.756 0.312 . . . . 0.0 111.03 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . 0.584 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -63.94 -41.57 97.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -64.91 -37.26 94.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.233 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.777 HG21 ' HB3' ' A' 1223 ' ' LEU . 56.4 t -65.61 -33.24 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.595 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' 1291 ' ' GLN . 6.3 tp10 -58.08 -46.33 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.435 ' CE ' ' HB3' ' A' 1353 ' ' CYS . 57.1 mtp -64.19 -42.65 96.56 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.658 177.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -57.56 -33.4 68.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.32 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -76.85 -29.1 57.83 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.174 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' 1287 ' ' GLU . 15.4 mm100 -76.03 -16.42 59.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.763 0.316 . . . . 0.0 110.824 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . 0.469 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -60.92 136.02 93.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 32.1 Cg_exo -58.89 -51.4 6.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.939 2.426 . . . . 0.0 112.705 -177.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 40.3 t -106.56 153.59 22.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -60.95 -28.23 68.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.972 174.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -69.14 -29.74 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.243 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . 0.407 ' HB2' ' HB1' ' A' 1292 ' ' ALA . 65.9 m-20 -80.19 -35.83 35.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.542 175.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' 1302 ' ' VAL . 38.5 ttp180 -54.46 -50.81 66.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.101 173.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.02 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.254 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -63.15 -45.42 91.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.729 0.299 . . . . 0.0 110.471 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.43 ' O ' ' HG ' ' A' 1305 ' ' LEU . 21.4 t -68.58 -40.74 82.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 110.414 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.538 ' HA ' HD12 ' A' 1305 ' ' LEU . 98.3 t -67.48 -35.07 72.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.737 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 6.1 p -69.38 -29.31 67.05 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.151 -0.343 . . . . 0.0 110.954 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -67.04 -44.14 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 172.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' 1302 ' ' VAL . 93.8 mt -59.4 -36.28 75.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -55.11 -42.51 73.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.774 -0.193 . . . . 0.0 111.083 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -58.39 -43.88 95.51 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.511 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.67 -36.28 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 122.685 -0.303 . . . . 0.0 110.506 -178.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 50.5 m -63.27 -51.35 66.48 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.761 0.315 . . . . 0.0 110.987 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . 0.578 ' HB3' ' HE2' ' A' 1314 ' ' LYS . 44.1 mtt -60.46 -45.47 93.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.8 m -60.49 -37.15 80.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 63.9 m -61.99 -45.05 95.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.528 0.68 . . . . 0.0 110.157 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.502 ' O ' ' HG ' ' A' 1317 ' ' LEU . 43.4 t -59.26 -52.74 64.37 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.51 176.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.578 ' HE2' ' HB3' ' A' 1310 ' ' MET . 56.8 mttm -65.55 -30.91 71.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.624 -175.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' 1339 ' ' ALA . 27.8 tp -64.84 -47.86 76.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.939 0.4 . . . . 0.0 110.392 174.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.66 ' O ' ' HG3' ' A' 1320 ' ' LYS . 77.5 mt -60.18 -35.32 75.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.636 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' 1313 ' ' SER . 93.3 mt -59.71 -40.5 88.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.729 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -68.77 -36.97 78.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.22 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.07 98.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.616 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . 0.806 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 44.6 mtpt -57.41 -50.54 72.67 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.236 0.541 . . . . 0.0 110.338 176.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.98 92.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.916 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.52 HD11 ' HE2' ' A' 1332 ' ' LYS . 26.7 tp -73.44 -32.99 64.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.225 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 43.6 m -71.19 -14.37 62.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.024 0.44 . . . . 0.0 110.659 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 9.5 p -115.83 2.2 13.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 30.4 t70 -155.54 63.91 3.8 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.342 0.591 . . . . 0.0 109.406 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -84.94 -3.85 9.73 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.892 2.395 . . . . 0.0 113.912 -169.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -91.33 3.23 55.4 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.931 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.6 m -98.83 106.35 36.85 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.715 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 23.3 Cg_exo -64.37 -30.82 62.98 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.066 2.511 . . . . 0.0 112.375 -176.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -70.73 -27.51 64.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.776 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' 1322 ' ' LEU . 17.1 tp -72.37 -27.77 62.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.126 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.559 ' HG3' ' HB2' ' A' 1260 ' ' SER . 1.1 mptm? -65.35 -44.91 86.2 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 171.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 14.3 m -58.55 -45.49 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.585 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -63.05 -45.36 92.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.031 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.14 -44.18 95.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.17 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.91 86.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.86 74.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.71 -42.61 90.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.261 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . 0.513 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -65.05 -34.94 79.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.743 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -60.66 -43.08 98.06 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.793 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.11 -39.66 94.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.933 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' 1346 ' ' ILE . 72.6 t -65.56 -52.74 47.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.559 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . 0.484 ' HA ' HD12 ' A' 1346 ' ' ILE . 19.7 m -60.75 -40.77 93.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.722 -177.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.62 -40.2 96.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.58 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.2 m -71.65 -31.09 66.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.28 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' 1342 ' ' VAL . 81.8 mt -60.7 -53.43 49.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 121.254 0.55 . . . . 0.0 109.779 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -66.72 -39.43 87.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.635 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -56.83 -43.74 81.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.33 -47.86 82.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.479 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.464 HD12 ' HB3' ' A' 1242 ' ' LEU . 35.3 mm -65.16 -48.55 83.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.003 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 36.1 m -56.28 -37.51 69.93 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.914 0.387 . . . . 0.0 111.252 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.1 tpt -79.94 -48.03 14.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.287 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . 0.435 ' HB3' ' CE ' ' A' 1288 ' ' MET . 73.1 m . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.23 -33.94 77.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.553 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 18.6 m -75.75 -29.67 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.765 -178.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.37 -40.43 21.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.686 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.05 -37.11 86.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.306 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.19 79.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.486 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . 0.498 HD11 ' HE2' ' A' 1320 ' ' LYS . 16.0 mt -67.23 -37.7 84.0 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.923 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -62.34 -44.89 95.43 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -58.45 -55.48 34.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.085 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.504 HG13 ' CE2' ' A' 1278 ' ' PHE . 62.0 t -65.7 -47.77 84.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.388 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.58 -48.54 72.0 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.182 -0.533 . . . . 0.0 113.055 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . 0.599 ' O ' ' HG2' ' A' 1222 ' ' ARG . 32.6 t70 -69.29 -33.98 74.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.935 0.368 . . . . 0.0 110.516 -177.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . 0.425 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -62.84 -44.1 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 177.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . 0.552 ' O ' HD23 ' A' 1224 ' ' LEU . 27.4 m -63.69 -25.6 68.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.995 0.426 . . . . 0.0 110.568 178.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' 1218 ' ' ASP . 24.6 mtpp -78.8 -56.3 4.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.029 176.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' 1218 ' ' ASP . 24.7 mmt180 -65.38 -48.45 72.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.235 0.54 . . . . 0.0 111.619 -175.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.689 ' HB3' HG21 ' A' 1286 ' ' VAL . 88.4 mt -79.69 4.85 14.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.329 -0.85 . . . . 0.0 113.289 -163.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' 1220 ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 167.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 13.6 mm100 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 121.092 0.472 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.72 -47.04 85.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.985 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -70.02 -21.34 63.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.208 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -62.18 -45.31 93.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.719 -0.218 . . . . 0.0 110.813 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 7.2 m -60.92 -31.9 71.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.458 0.646 . . . . 0.0 110.298 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -80.14 -47.97 13.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.068 -175.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . 0.5 ' HB3' HD12 ' A' 1350 ' ' ILE . 3.5 mm? -63.65 -32.77 74.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.185 177.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -57.98 -50.8 72.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.824 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -66.09 -44.18 85.15 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.714 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . 0.501 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -61.53 -46.18 91.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.855 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . 0.561 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -62.96 -52.01 64.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.036 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.53 81.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.195 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.17 -43.25 95.76 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.25 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 28.8 tp -69.66 -31.48 69.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.748 0.309 . . . . 0.0 110.663 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -61.85 -43.3 99.12 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.029 0.443 . . . . 0.0 110.513 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -71.95 -35.08 69.49 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . 0.82 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -60.6 -41.27 94.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.927 177.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' 1257 ' ' VAL . . . -65.81 -38.69 89.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.18 0.514 . . . . 0.0 109.882 174.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.1 m -62.13 -35.12 77.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.746 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' 1252 ' ' ALA . 5.1 mm-40 -54.01 -48.64 70.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.7 175.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.835 ' HB3' HD21 ' A' 1335 ' ' LEU . 59.4 mt -64.3 -40.63 96.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.786 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' 1253 ' ' ALA . 92.1 t -59.87 -50.79 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 120.768 0.318 . . . . 0.0 111.796 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -68.37 -26.75 65.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.179 0.514 . . . . 0.0 110.685 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -79.62 -24.61 41.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.705 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . 0.511 ' O ' HD21 ' A' 1322 ' ' LEU . 48.1 m -50.73 -25.24 4.11 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -172.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 70.4 mtt-85 -62.05 -27.88 69.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.89 0.376 . . . . 0.0 110.349 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 120.99 90.18 1.12 Allowed Glycine 0 CA--C 1.499 -0.909 0 CA-C-N 115.817 -0.628 . . . . 0.0 113.435 171.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . 0.528 HG23 ' HB2' ' A' 1266 ' ' ASP . 0.1 OUTLIER -153.77 119.05 2.78 Favored Pre-proline 0 N--CA 1.442 -0.851 0 CA-C-N 114.626 -0.787 . . . . 0.0 109.094 175.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' 1263 ' ' THR . 31.2 Cg_exo -59.02 -45.04 30.42 Favored 'Trans proline' 0 CA--C 1.522 -0.091 0 C-N-CA 123.207 2.605 . . . . 0.0 112.874 -171.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -68.55 -33.02 73.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.079 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . 0.528 ' HB2' HG23 ' A' 1263 ' ' THR . 5.7 m-20 -72.64 -45.96 56.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.976 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 44.9 mt -65.83 -33.08 75.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.06 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.52 80.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.097 0.475 . . . . 0.0 110.713 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 36.8 ttp-105 -65.65 -42.22 91.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.324 0.583 . . . . 0.0 109.788 176.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.11 96.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.787 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 1.5 p -62.87 -40.31 97.11 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.791 0.329 . . . . 0.0 111.176 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -72.1 -34.41 61.56 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.962 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -69.47 -50.85 41.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.118 0.485 . . . . 0.0 110.363 176.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . 0.82 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 59.3 t80 -60.21 -48.8 80.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.424 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -65.94 -30.13 76.44 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.765 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -77.37 -38.41 50.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.827 0.346 . . . . 0.0 111.233 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.33 -32.66 43.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.262 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.504 ' CE2' HG13 ' A' 1216 ' ' VAL . 71.8 t80 -58.59 -48.16 81.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.479 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . 0.517 ' O ' ' HG3' ' A' 1283 ' ' GLU . 39.0 p -57.01 -47.41 80.92 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.51 -176.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 23.3 m -60.32 -40.91 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . 0.501 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 89.4 t80 -61.42 -48.02 83.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.601 178.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' 1286 ' ' VAL . 23.0 tp -70.5 -40.34 73.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.096 -176.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' 1279 ' ' SER . 58.9 mt-10 -57.25 -47.7 80.73 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.047 0.451 . . . . 0.0 110.407 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -67.96 -32.89 73.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.016 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.03 -35.32 90.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.838 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' 1223 ' ' LEU . 43.5 t -67.03 -37.64 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 177.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -63.5 -42.8 98.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.719 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 3.6 ppp? -74.18 -26.11 60.09 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.777 178.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -69.77 -28.88 66.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.021 0.438 . . . . 0.0 109.998 174.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -77.0 -16.89 80.38 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.173 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.719 ' HG2' ' HA ' ' A' 1288 ' ' MET . 74.2 mm-40 -63.61 -31.48 72.65 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -76.77 116.74 59.51 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.482 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.7 7.89 4.93 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.821 2.347 . . . . 0.0 112.116 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 2.3 p -130.13 146.09 51.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.344 -177.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . 0.441 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 43.2 mt-30 -89.42 -15.36 33.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -168.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.88 -35.56 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 173.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.8 -43.46 83.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.477 170.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' 1302 ' ' VAL . 69.3 ttt180 -53.42 -56.39 17.24 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.875 177.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.62 72.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.543 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -70.09 -35.46 74.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -176.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.465 HG21 ' SD ' ' A' 1288 ' ' MET . 14.3 p -80.89 -31.3 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.369 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' 1298 ' ' ARG . 73.9 t -63.59 -29.83 48.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.833 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 17.2 m -52.75 -47.55 67.36 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.746 174.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . 0.596 ' HB2' HD23 ' A' 1349 ' ' LEU . 17.1 m-80 -67.58 -40.17 84.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.922 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' 1302 ' ' VAL . 96.2 mt -60.26 -48.77 80.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -59.76 -48.19 82.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.564 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.25 -53.3 35.3 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.519 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' A' 1345 ' ' SER . 0.0 OUTLIER -68.9 -39.79 80.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.763 -177.469 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . 0.411 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 47.2 m -64.15 -46.56 83.56 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.732 0.301 . . . . 0.0 111.194 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . 0.5 ' O ' ' HG3' ' A' 1314 ' ' LYS . 45.8 mtt -66.94 -46.33 75.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 69.5 m -61.12 -36.2 79.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.517 0.199 . . . . 0.0 110.995 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 66.0 m -66.18 -40.55 90.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.333 0.587 . . . . 0.0 110.103 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.543 ' O ' ' HG ' ' A' 1317 ' ' LEU . 65.9 m -61.11 -48.42 81.73 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.363 175.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' 1310 ' ' MET . 61.2 mttm -61.86 -34.59 76.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.739 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.418 ' HG ' HD13 ' A' 1256 ' ' LEU . 49.0 tp -64.23 -45.8 86.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.853 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' 1320 ' ' LYS . 83.5 mt -69.4 -33.89 73.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.238 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' 1313 ' ' SER . 97.7 mt -60.71 -41.7 95.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 110.173 176.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.72 82.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.53 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.6 98.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.471 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . 0.553 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 8.0 mtmp? -61.9 -47.8 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.24 0.543 . . . . 0.0 110.425 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . 0.439 ' C ' HD21 ' A' 1331 ' ' LEU . . . -60.68 -31.37 70.62 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.693 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.511 HD21 ' O ' ' A' 1260 ' ' SER . 34.8 tp -82.26 -32.58 29.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.994 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 23.5 t -67.62 -29.05 68.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.159 0.504 . . . . 0.0 109.793 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 6.3 p -90.01 -40.94 12.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.987 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -122.59 83.07 47.89 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.765 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . 0.435 ' HA ' HD12 ' A' 1322 ' ' LEU . 76.1 Cg_endo -88.69 14.27 2.32 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 122.528 2.152 . . . . 0.0 112.635 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -104.61 -11.56 16.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 2.8 p -84.51 118.74 71.81 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 121.123 0.487 . . . . 0.0 111.197 -177.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 1328 ' ' SER . 36.4 Cg_exo -60.63 -41.53 46.69 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.111 2.541 . . . . 0.0 112.673 -175.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -69.5 -24.62 63.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.015 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . 0.439 HD21 ' C ' ' A' 1321 ' ' ALA . 12.0 tp -71.27 -35.53 71.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.18 -178.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.7 mptm? -55.34 -57.1 13.23 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.545 0.688 . . . . 0.0 110.198 173.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 26.2 m -71.18 -26.96 63.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.744 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -64.44 -43.15 95.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.183 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . 0.835 HD21 ' HB3' ' A' 1256 ' ' LEU . 7.0 tt -67.15 -46.38 74.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.766 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.17 76.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.368 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -71.46 -36.85 71.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' 1342 ' ' VAL . . . -66.13 -40.81 90.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.674 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . 0.406 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -64.79 -40.0 94.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.509 177.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -58.8 -39.05 79.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.136 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.29 85.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.624 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' 1346 ' ' ILE . 90.7 t -59.03 -52.36 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.78 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 83.3 m -56.28 -41.01 75.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 110.638 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.12 -44.76 95.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.106 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . 0.44 ' HB2' ' HB ' ' A' 1308 ' ' ILE . 3.9 p -70.62 -31.75 68.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.395 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' 1342 ' ' VAL . 80.2 mt -59.44 -48.63 86.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.081 0.467 . . . . 0.0 109.751 174.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -58.26 -41.52 84.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.967 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -64.99 -37.58 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.496 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.596 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -67.39 -45.46 76.17 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' 1246 ' ' ALA . 42.8 mm -63.88 -41.89 94.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.397 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 41.3 m -62.73 -39.1 93.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.522 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.0 tpt -63.12 -37.3 86.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.963 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 23.8 t . . . . . 0 C--O 1.234 0.281 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.187 178.731 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . 0.401 ' HE ' ' HB3' ' A' 1207 ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -51.31 -43.65 61.73 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.191 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.747 ' O ' ' HG ' ' A' 1213 ' ' LEU . 41.2 t -62.71 -54.55 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.618 -177.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.78 -36.7 83.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.084 0.468 . . . . 0.0 110.846 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 38.4 t30 -64.74 -49.68 69.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.411 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.07 97.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.597 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . 0.747 ' HG ' ' O ' ' A' 1209 ' ' VAL . 11.6 mt -60.77 -43.34 98.16 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.065 0.459 . . . . 0.0 110.153 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -68.27 -45.87 71.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.419 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -53.24 -48.77 67.94 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.013 -175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.517 HG13 ' CE2' ' A' 1278 ' ' PHE . 70.7 t -58.41 -46.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.654 0.264 . . . . 0.0 111.542 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -74.03 -47.4 18.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.335 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.15 -46.61 86.39 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.228 0.211 . . . . 0.0 111.473 -176.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.84 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.546 0.212 . . . . 0.0 111.088 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . . . . . . . . . 49.0 m -62.56 -43.75 98.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.953 0.406 . . . . 0.0 110.509 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -74.49 -35.54 63.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.316 -178.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -77.5 -36.66 52.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.372 -0.376 . . . . 0.0 112.013 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . . . . . . . . . 86.9 mt -92.67 -59.35 2.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -173.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--N 1.33 -0.27 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -167.595 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 . . . . . 0 C--O 1.235 0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -67.7 -49.74 61.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.364 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.11 93.26 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.302 -175.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . 0.404 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 63.9 tt0 -59.26 -56.92 15.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.803 -176.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.9 p -67.18 -35.06 78.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.006 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -68.03 -45.09 74.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.858 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . 0.504 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 61.6 tp -63.26 -44.43 95.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.841 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -63.18 -35.25 79.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.697 0.284 . . . . 0.0 111.617 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.68 -47.97 42.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.844 0.354 . . . . 0.0 110.31 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.49 98.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.196 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . 0.477 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -61.73 -46.05 91.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.337 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.14 -31.63 71.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.863 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.31 -42.82 56.38 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.546 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . 0.407 HD21 HD11 ' A' 1308 ' ' ILE . 37.9 tp -69.02 -34.62 75.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.483 0.182 . . . . 0.0 110.978 -178.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -54.9 -46.75 74.87 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.961 0.41 . . . . 0.0 110.159 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.415 ' O ' ' HB ' ' A' 1254 ' ' THR . 24.1 tt0 -72.56 -32.29 65.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.335 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . 0.912 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -61.3 -44.36 97.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.683 177.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -64.01 -39.09 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.97 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . 0.512 ' O ' ' HG2' ' A' 1258 ' ' GLN . 92.9 m -57.94 -40.99 81.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.782 175.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.692 ' HG3' ' HG2' ' A' 1273 ' ' ARG . 5.5 mm-40 -56.91 -42.71 80.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.296 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.452 ' HB3' HD21 ' A' 1335 ' ' LEU . 18.5 mt -65.47 -35.42 80.86 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.867 177.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 59.2 t -64.65 -47.05 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.086 0.469 . . . . 0.0 110.239 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' 1254 ' ' THR . 14.9 mm100 -61.12 -41.36 96.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.176 178.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . 0.456 ' HA ' ' OD2' ' A' 1266 ' ' ASP . . . -74.77 -27.25 60.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.715 -177.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . 0.521 ' HA ' HD21 ' A' 1322 ' ' LEU . 33.7 t -57.23 -34.9 69.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.399 0.618 . . . . 0.0 110.249 177.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -96.13 18.15 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.398 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -122.43 -122.61 2.82 Favored Glycine 0 N--CA 1.436 -1.363 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' 1264 ' ' PRO . 68.3 p -140.83 167.55 17.21 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.929 0.364 . . . . 0.0 111.295 -175.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . 0.559 ' HA ' ' HB2' ' A' 1267 ' ' LEU . 84.6 Cg_exo -51.83 -28.49 31.03 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.865 2.377 . . . . 0.0 112.972 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.34 -50.45 67.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.762 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . 0.456 ' OD2' ' HA ' ' A' 1259 ' ' ALA . 3.3 p-10 -79.54 -25.62 41.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.559 ' HB2' ' HA ' ' A' 1264 ' ' PRO . 21.2 mt -59.53 -37.31 78.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.494 170.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.48 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -51.41 -47.66 62.9 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.38 0.609 . . . . 0.0 110.361 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . 0.4 ' CB ' HD23 ' A' 1256 ' ' LEU . . . -60.52 -40.1 90.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.247 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . . . . . . . . . 15.5 m -65.22 -44.57 87.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.728 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -62.48 -40.79 99.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.714 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . 0.692 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 16.5 tpp180 -65.24 -48.02 74.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 110.469 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . 0.912 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 51.2 t80 -63.05 -52.34 63.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.346 -176.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.29 -37.98 95.48 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.107 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.3 -52.73 17.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.689 0.28 . . . . 0.0 111.185 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.12 -29.8 69.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.537 ' CE2' HD11 ' A' 1282 ' ' LEU . 89.8 t80 -63.09 -43.46 98.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.541 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 22.7 m -62.2 -39.77 93.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.465 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 15.0 m -63.44 -39.46 94.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.317 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 83.5 t80 -63.41 -42.4 98.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.343 176.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' 1278 ' ' PHE . 24.1 mt -61.24 -45.01 96.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.01 -38.67 89.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.866 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -65.52 -36.38 83.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.33 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -63.52 -41.93 99.07 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.83 176.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . . . . . . . . . 98.5 t -62.65 -41.36 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.391 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -55.75 -46.39 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.626 177.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.632 ' O ' ' HG2' ' A' 1291 ' ' GLN . 7.9 ptm -78.86 -24.78 44.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.963 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -68.31 -26.69 65.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.93 0.395 . . . . 0.0 110.103 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -69.68 -34.27 72.46 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.763 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . 0.632 ' HG2' ' O ' ' A' 1288 ' ' MET . 25.5 pt20 -77.96 -8.12 57.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.604 0.24 . . . . 0.0 110.854 -177.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . 0.456 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -62.89 117.37 31.74 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.744 -179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 15.4 Cg_exo -68.82 -56.77 0.15 Allowed 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 123.062 2.508 . . . . 0.0 111.971 -177.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 5.8 m -85.73 149.79 25.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.021 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -65.46 -34.18 77.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.66 -33.8 75.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.465 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.41 -43.65 73.0 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.449 ' O ' HG23 ' A' 1302 ' ' VAL . 38.7 ttp-105 -65.25 -33.59 76.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.185 177.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.63 79.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 176.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.42 -47.37 86.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.268 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.659 ' O ' ' HG ' ' A' 1305 ' ' LEU . 10.6 p -61.21 -40.36 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.564 -178.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.469 ' HA ' HD12 ' A' 1305 ' ' LEU . 71.8 t -64.07 -33.16 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-O 120.651 0.263 . . . . 0.0 110.87 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 54.8 m -58.91 -48.13 82.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.84 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . 0.654 ' HB2' HD23 ' A' 1349 ' ' LEU . 39.2 m-80 -64.75 -38.83 92.33 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.146 0.498 . . . . 0.0 109.955 177.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' 1301 ' ' VAL . 93.5 mt -62.4 -39.11 92.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.741 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -70.57 -36.55 73.67 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 120.646 -0.422 . . . . 0.0 109.917 174.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.85 77.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.001 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . 0.407 HD11 HD21 ' A' 1249 ' ' LEU . 0.0 OUTLIER -75.02 -37.85 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 122.807 -0.231 . . . . 0.0 110.389 178.678 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . . . . . . . . . 40.0 t -61.19 -49.39 77.37 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 110.596 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . 0.72 ' O ' ' HG2' ' A' 1314 ' ' LYS . 62.9 mtp -57.33 -51.19 70.39 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.54 178.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 23.3 m -55.79 -39.89 71.91 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.388 0.43 . . . . 0.0 110.66 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . 0.419 ' HB3' ' CE2' ' A' 1274 ' ' PHE . 49.5 m -66.52 -40.68 89.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.476 0.655 . . . . 0.0 109.932 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.519 ' O ' ' HG ' ' A' 1317 ' ' LEU . 50.7 m -61.62 -48.05 82.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.537 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.72 ' HG2' ' O ' ' A' 1310 ' ' MET . 65.0 mmtt -63.18 -38.49 91.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.175 0.512 . . . . 0.0 110.018 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.616 HD22 ' HA ' ' A' 1339 ' ' ALA . 40.7 tp -60.16 -44.29 95.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.945 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.722 ' HB3' HD22 ' A' 1213 ' ' LEU . 49.9 mt -73.0 -26.75 61.44 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -178.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' 1313 ' ' SER . 90.6 mt -64.49 -34.78 79.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.081 0.467 . . . . 0.0 109.896 174.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.25 -41.58 76.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.849 174.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.92 82.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.965 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -56.93 -48.97 77.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.129 0.49 . . . . 0.0 110.237 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.93 68.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.871 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.531 HD11 ' HE2' ' A' 1332 ' ' LYS . 29.2 tp -75.64 -32.17 60.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.511 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 12.6 p -78.79 -12.97 60.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 1.3 p -100.26 -34.02 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.695 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -131.45 82.71 61.1 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.271 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -81.41 -1.05 10.85 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.469 2.112 . . . . 0.0 112.583 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -96.52 -0.28 49.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.392 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . 0.497 ' CB ' HD13 ' A' 1331 ' ' LEU . 55.6 m -93.72 109.14 39.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.57 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . 0.625 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 33.8 Cg_endo -64.85 -29.2 58.68 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.845 2.363 . . . . 0.0 112.51 -176.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -62.67 -32.78 73.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.707 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . 0.497 HD13 ' CB ' ' A' 1328 ' ' SER . 10.7 mp -70.39 -26.96 63.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.19 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.625 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 0.8 OUTLIER -64.8 -43.1 94.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.003 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 16.1 m -70.52 -41.02 73.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.312 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . 0.431 ' HB3' ' HA ' ' A' 1331 ' ' LEU . 7.9 tt0 -53.58 -48.08 69.54 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.727 177.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . 0.48 HD22 ' HB2' ' A' 1260 ' ' SER . 9.8 tt -68.81 -47.48 65.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.495 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -55.98 -40.61 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.705 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.35 91.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.899 0.38 . . . . 0.0 110.969 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' 1342 ' ' VAL . . . -72.06 -36.31 69.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.711 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.45 -39.8 92.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' 1336 ' ' ALA . 30.2 mmt180 -71.59 -32.17 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.201 178.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.7 87.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.407 176.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.602 ' O ' HG13 ' A' 1346 ' ' ILE . 98.0 t -58.52 -52.3 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.122 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . 0.608 ' HA ' HD12 ' A' 1346 ' ' ILE . 17.4 m -60.29 -36.29 77.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.76 -177.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.88 -46.35 88.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.135 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.8 m -69.04 -27.13 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.494 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' 1343 ' ' THR . 85.8 mt -62.88 -54.99 26.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.58 0.229 . . . . 0.0 110.679 178.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 13.1 p30 -68.48 -28.44 67.03 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.494 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -59.7 -38.05 80.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.404 176.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.654 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -75.73 -37.53 59.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' 1346 ' ' ILE . 49.3 mm -60.21 -38.13 76.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.601 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 85.5 m -59.75 -31.45 69.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.891 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 25.0 mmt -76.4 -28.2 56.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 45.7 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.208 0.528 . . . . 0.0 110.019 178.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 . . . . . 0 C--O 1.222 -0.394 0 CA-C-O 120.882 0.372 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1208 ' ' ASP . . . . . 0.587 ' OD2' ' HA ' ' A' 1268 ' ' ALA . 0.8 OUTLIER -50.6 -41.88 55.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.185 178.794 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1209 ' ' VAL . . . . . 0.45 HG13 ' OD2' ' A' 1208 ' ' ASP . 36.0 m -78.41 -29.91 15.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.202 -174.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.61 -38.98 20.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 111.017 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 52.3 t30 -64.9 -32.93 74.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.186 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1212 ' ' ALA . . . . . 0.43 ' HB1' HD13 ' A' 1316 ' ' LEU . . . -58.24 -42.71 86.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.103 173.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.91 -39.92 96.0 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.363 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -63.07 -44.65 95.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.47 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -61.27 -48.91 79.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.78 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1216 ' ' VAL . . . . . 0.596 HG13 ' CE2' ' A' 1278 ' ' PHE . 94.5 t -62.36 -44.64 99.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.846 178.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1217 ' ' GLY . . . . . 0.543 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -64.09 -46.4 91.28 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.367 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.53 -31.05 71.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.743 0.306 . . . . 0.0 111.168 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1219 ' ' ALA . . . . . 0.529 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -66.79 -40.35 88.09 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1220 ' ' SER . . . . . 0.563 ' O ' ' HB2' ' A' 1224 ' ' LEU . 27.6 m -66.05 -30.87 71.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.347 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1221 ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' 1217 ' ' GLY . 63.6 mttp -68.44 -54.35 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.992 0.425 . . . . 0.0 110.75 177.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -68.92 -39.96 79.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.813 -175.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1223 ' ' LEU . . . . . 0.788 ' HB3' HG11 ' A' 1286 ' ' VAL . 29.9 mt -101.66 -46.65 4.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -166.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1224 ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' A' 1220 ' ' SER . 3.4 mm? . . . . . 0 C--O 1.233 0.221 0 CA-C-O 121.154 0.502 . . . . 0.0 111.843 -172.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.692 0.282 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.04 -44.28 97.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.374 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.98 95.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.673 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -63.22 -42.62 99.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.695 177.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1240 ' ' SER . . . . . . . . . . . . . 43.2 t -59.5 -42.97 93.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.094 0.473 . . . . 0.0 110.285 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.23 -40.92 98.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.908 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1242 ' ' LEU . . . . . 0.527 ' HB3' HD12 ' A' 1350 ' ' ILE . 9.1 mt -62.83 -43.01 99.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.909 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -57.58 -34.42 69.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.185 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -77.47 -51.67 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.64 93.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.901 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1246 ' ' ALA . . . . . 0.524 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -59.76 -49.84 76.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.993 -178.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.28 79.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.248 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.79 -45.17 59.41 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.341 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 37.5 tp -66.64 -33.67 76.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.589 0.233 . . . . 0.0 110.807 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -57.05 -43.96 82.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.301 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1251 ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' A' 1255 ' ' GLU . 48.5 tt0 -72.76 -32.15 65.43 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.422 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.86 77.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.953 0.406 . . . . 0.0 110.418 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1253 ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' 1257 ' ' VAL . . . -67.87 -39.12 83.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.096 0.474 . . . . 0.0 110.162 173.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1254 ' ' THR . . . . . . . . . . . . . 29.1 m -62.56 -34.85 77.77 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.693 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1255 ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' 1251 ' ' GLN . 33.7 mm-40 -57.2 -47.63 80.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.291 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1256 ' ' LEU . . . . . 0.675 ' HB3' HD21 ' A' 1335 ' ' LEU . 36.1 mt -60.93 -40.51 93.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.742 177.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1257 ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' 1253 ' ' ALA . 58.3 t -58.26 -51.39 71.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.691 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1258 ' ' GLN . . . . . 0.4 HE21 ' HA ' ' A' 1255 ' ' GLU . 42.0 mt-30 -60.04 -49.9 75.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.702 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.46 80.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.461 -175.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1260 ' ' SER . . . . . 0.476 ' HB3' HD13 ' A' 1335 ' ' LEU . 96.9 p -60.65 -31.98 71.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.003 0.43 . . . . 0.0 111.378 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -101.66 9.28 41.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.633 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -116.0 -71.49 0.48 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.212 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1263 ' ' THR . . . . . 0.429 HG23 ' HB2' ' A' 1266 ' ' ASP . 1.9 t -159.45 138.49 8.07 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.954 0.407 . . . . 0.0 111.177 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1264 ' ' PRO . . . . . 0.689 ' HA ' HD12 ' A' 1267 ' ' LEU . 52.8 Cg_exo -55.9 -26.0 55.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.459 2.773 . . . . 0.0 112.454 175.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -70.77 -28.68 64.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.526 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1266 ' ' ASP . . . . . 0.429 ' HB2' HG23 ' A' 1263 ' ' THR . 11.8 t70 -80.73 -34.15 34.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1267 ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' 1264 ' ' PRO . 49.3 mt -56.64 -34.73 67.58 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.783 174.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1268 ' ' ALA . . . . . 0.587 ' HA ' ' OD2' ' A' 1208 ' ' ASP . . . -56.35 -45.94 80.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.261 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -70.71 -41.54 71.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.922 0.391 . . . . 0.0 110.218 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.44 92.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.88 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1271 ' ' SER . . . . . 0.442 ' OG ' HG12 ' A' 1209 ' ' VAL . 51.4 m -60.66 -49.5 77.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.24 176.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.76 -34.94 91.29 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.078 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -71.18 -55.91 7.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1274 ' ' PHE . . . . . 0.489 ' HZ ' HG11 ' A' 1342 ' ' VAL . 76.1 t80 -54.76 -48.59 72.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.633 -174.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -61.77 -44.37 97.97 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.919 -177.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -77.1 -39.97 47.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.794 0.33 . . . . 0.0 110.891 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 4.8 t70 -63.08 -38.82 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.23 0.538 . . . . 0.0 109.725 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1278 ' ' PHE . . . . . 0.596 ' CE2' HG13 ' A' 1216 ' ' VAL . 57.5 t80 -57.09 -43.21 82.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.937 176.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1279 ' ' SER . . . . . . . . . . . . . 49.9 m -59.85 -41.13 90.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.065 0.459 . . . . 0.0 110.239 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1280 ' ' THR . . . . . . . . . . . . . 2.2 m -68.29 -31.87 71.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.864 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 49.5 t80 -73.81 -47.0 41.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.534 177.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1282 ' ' LEU . . . . . 0.529 HD23 ' HB1' ' A' 1219 ' ' ALA . 29.2 tp -61.56 -40.86 96.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.179 -175.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1283 ' ' GLU . . . . . 0.497 ' HG2' HD11 ' A' 1223 ' ' LEU . 41.6 mt-10 -63.24 -27.96 69.71 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.698 0.285 . . . . 0.0 111.57 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -74.38 -42.67 58.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.882 0.372 . . . . 0.0 110.131 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -66.02 -45.25 88.79 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.568 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1286 ' ' VAL . . . . . 0.788 HG11 ' HB3' ' A' 1223 ' ' LEU . 18.3 m -67.8 -26.71 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 122.644 -0.327 . . . . 0.0 111.126 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -65.31 -52.97 50.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.12 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1288 ' ' MET . . . . . 0.461 ' HE3' ' HB2' ' A' 1288 ' ' MET . 22.1 ptm -70.93 -24.97 62.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 178.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1289 ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' 1298 ' ' ARG . . . -59.34 -35.63 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.162 0.506 . . . . 0.0 109.93 171.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -76.38 -31.73 53.73 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.692 174.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1291 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -83.97 15.87 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.374 0.27 . . . . 0.0 110.823 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1292 ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -59.1 144.6 82.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.778 -176.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1293 ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 24.1 Cg_exo -64.48 -33.33 57.54 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.844 2.363 . . . . 0.0 112.424 177.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1294 ' ' SER . . . . . . . . . . . . . 53.2 p -146.69 165.79 28.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 111.301 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -66.4 -40.29 89.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.28 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.48 -34.12 77.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.394 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.98 -43.69 82.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.954 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1298 ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' 1289 ' ' ALA . 49.0 ttp180 -59.33 -48.82 80.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.548 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.82 76.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.85 -51.85 36.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1301 ' ' VAL . . . . . 0.581 ' O ' ' HG ' ' A' 1305 ' ' LEU . 12.4 p -62.7 -36.64 76.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.185 -177.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1302 ' ' VAL . . . . . 0.533 ' HA ' HD12 ' A' 1305 ' ' LEU . 77.0 t -63.97 -38.69 83.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.497 176.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1303 ' ' SER . . . . . . . . . . . . . 40.1 m -63.71 -38.68 92.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.608 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1304 ' ' ASN . . . . . 0.558 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 47.5 m-20 -61.43 -43.06 99.53 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1305 ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' 1301 ' ' VAL . 92.7 mt -60.45 -39.88 89.15 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.896 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1306 ' ' LYS . . . . . 0.402 ' HA ' ' HG ' ' A' 1309 ' ' SER . 35.2 ttpt -64.71 -42.79 95.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.785 0.326 . . . . 0.0 110.212 175.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.82 -42.49 91.9 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.466 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -37.61 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 122.736 -0.273 . . . . 0.0 111.037 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1309 ' ' SER . . . . . 0.402 ' HG ' ' HA ' ' A' 1306 ' ' LYS . 34.1 p -66.11 -48.21 71.61 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.794 0.33 . . . . 0.0 111.164 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1310 ' ' MET . . . . . . . . . . . . . 93.3 mmm -63.89 -39.49 94.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.765 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1311 ' ' SER . . . . . . . . . . . . . 69.6 m -63.51 -39.3 94.07 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.729 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1312 ' ' SER . . . . . . . . . . . . . 49.6 m -63.16 -40.57 97.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.504 0.668 . . . . 0.0 109.6 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1313 ' ' SER . . . . . 0.431 ' O ' ' HG ' ' A' 1317 ' ' LEU . 60.1 m -60.68 -50.5 73.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.683 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1314 ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' 1317 ' ' LEU . 57.8 mttm -63.54 -34.58 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.139 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1315 ' ' LEU . . . . . 0.59 HD22 ' HA ' ' A' 1339 ' ' ALA . 38.0 tp -63.57 -49.32 73.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1316 ' ' LEU . . . . . 0.43 HD13 ' HB1' ' A' 1212 ' ' ALA . 70.3 mt -66.97 -26.92 67.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.24 -178.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1317 ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' 1313 ' ' SER . 90.4 mt -64.67 -34.86 79.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 0.0 110.263 175.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.57 -37.75 73.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.954 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.48 87.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.976 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1320 ' ' LYS . . . . . 0.442 ' HA ' HG21 ' A' 1209 ' ' VAL . 39.6 ttmt -63.28 -50.65 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.166 0.507 . . . . 0.0 110.584 177.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.41 83.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.872 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1322 ' ' LEU . . . . . 0.418 ' CD2' ' HB2' ' A' 1260 ' ' SER . 35.1 tp -77.93 -19.37 54.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.719 -177.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1323 ' ' SER . . . . . . . . . . . . . 8.6 p -85.12 -27.88 25.94 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.754 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1324 ' ' THR . . . . . . . . . . . . . 8.6 t -89.64 -30.75 17.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.811 0.338 . . . . 0.0 110.316 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -124.59 77.23 63.59 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.871 0.367 . . . . 0.0 110.245 173.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -79.38 -2.76 12.54 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.433 2.088 . . . . 0.0 113.054 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -93.16 -6.29 48.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.389 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1328 ' ' SER . . . . . . . . . . . . . 35.7 t -83.93 111.23 31.22 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1329 ' ' PRO . . . . . 0.619 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 37.4 Cg_endo -66.45 -28.2 46.28 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.927 2.418 . . . . 0.0 112.418 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 17.6 m120 -62.94 -35.88 81.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.255 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1331 ' ' LEU . . . . . 0.406 ' HB2' HD13 ' A' 1322 ' ' LEU . 6.4 mp -71.09 -26.67 63.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.707 -175.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1332 ' ' LYS . . . . . 0.619 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 0.6 OUTLIER -64.97 -48.09 75.27 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1333 ' ' SER . . . . . . . . . . . . . 4.3 m -64.24 -43.34 95.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.3 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.11 -50.16 74.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.018 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1335 ' ' LEU . . . . . 0.675 HD21 ' HB3' ' A' 1256 ' ' LEU . 8.6 tt -63.72 -48.87 75.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.455 -178.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -60.48 -34.55 74.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.441 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -71.53 -47.95 51.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.756 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1338 ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' 1342 ' ' VAL . . . -62.11 -38.55 89.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1339 ' ' ALA . . . . . 0.59 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -60.17 -43.02 96.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.005 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1340 ' ' ARG . . . . . 0.489 ' HD3' ' HA ' ' A' 1340 ' ' ARG . 25.1 mmt180 -71.45 -27.96 63.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.15 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.97 -42.45 85.14 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 173.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1342 ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' 1346 ' ' ILE . 97.1 t -60.76 -48.68 87.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.885 174.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1343 ' ' THR . . . . . . . . . . . . . 33.5 m -52.75 -49.3 65.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.5 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1344 ' ' ASP . . . . . 0.569 ' O ' ' HG2' ' A' 1348 ' ' GLN . 26.5 t70 -63.14 -45.0 94.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.791 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1345 ' ' SER . . . . . . . . . . . . . 19.4 m -58.61 -38.27 77.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1346 ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' 1342 ' ' VAL . 88.5 mt -60.73 -49.27 85.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.085 175.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -61.67 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1348 ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' 1344 ' ' ASP . 79.8 mm-40 -60.75 -35.72 77.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.743 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.2 tm? -63.43 -51.28 66.41 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1350 ' ' ILE . . . . . 0.527 HD12 ' HB3' ' A' 1242 ' ' LEU . 34.8 mm -61.39 -32.63 53.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.747 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1351 ' ' THR . . . . . . . . . . . . . 55.3 m -57.92 -54.96 41.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -28.85 69.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.3 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 61.3 m . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.546 -178.872 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . 0.713 HD13 ' H ' ' A' 1201 ' ' ILE . 0.2 OUTLIER -110.59 175.74 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -68.87 113.54 16.84 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 0.0 110.337 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -92.5 147.3 2.8 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.921 2.414 . . . . 0.0 113.368 -175.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 97.7 m-85 52.75 76.71 0.18 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.687 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . 0.446 ' HA ' ' HB2' ' A' 1268 ' ' ALA . 29.2 m -152.42 -38.65 0.11 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.774 174.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.498 ' O ' HG22 ' A' 1209 ' ' VAL . 29.5 mm-40 -109.57 -29.14 8.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.236 176.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -59.03 -47.22 85.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.033 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.11 -33.57 74.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.388 -175.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 1.025 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 21.1 m -77.48 -28.68 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.118 -175.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -82.81 -40.33 20.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.451 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.83 -32.67 72.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -64.22 -46.15 85.11 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.468 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 42.1 mt -64.63 -35.15 80.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.46 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -57.48 -52.37 65.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.982 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.78 -55.57 12.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.559 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.448 HG13 ' CE2' ' A' 1278 ' ' PHE . 88.6 t -59.5 -47.36 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 111.06 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -61.0 -49.98 72.62 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.477 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -61.63 -45.45 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.735 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.35 86.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.887 0.375 . . . . 0.0 110.274 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . 0.416 ' HA ' HD21 ' A' 1282 ' ' LEU . 19.6 t -63.28 -38.71 92.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -177.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 14.1 mptt -77.98 -43.65 29.0 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . 0.542 ' O ' ' HB3' ' A' 1227 ' ' LEU . 55.9 mtp180 -78.53 -24.38 45.73 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -174.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.739 ' HB3' HG21 ' A' 1286 ' ' VAL . 97.1 mt -97.79 -38.02 9.63 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.875 -176.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . 0.431 HD22 HG13 ' A' 1302 ' ' VAL . 82.8 mt -86.24 0.12 54.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.149 0.5 . . . . 0.0 110.514 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 45.7 m -154.0 144.69 22.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.218 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 18.8 t70 73.83 -69.59 0.18 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 175.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . 0.542 ' HB3' ' O ' ' A' 1222 ' ' ARG . 8.8 tt -97.93 135.16 40.06 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.104 0.478 . . . . 0.0 110.533 -173.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . 0.449 HD13 ' NH2' ' A' 1298 ' ' ARG . 82.2 mt -133.06 133.91 23.71 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.582 176.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' 1228 ' ' LEU . 22.6 Cg_exo -64.81 112.42 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.463 2.109 . . . . 0.0 111.614 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 1.5 Cg_endo -83.1 23.05 0.85 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.178 2.585 . . . . 0.0 112.285 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 7.2 m -63.39 116.49 5.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.309 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 11.5 t -113.56 140.75 47.9 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 164.11 -126.5 1.52 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.64 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 33.4 p -98.71 133.61 42.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.052 0.453 . . . . 0.0 110.889 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 68.1 t80 -67.36 -36.16 80.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.355 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -66.99 -23.55 65.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.372 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -67.41 -51.3 53.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.061 0.458 . . . . 0.0 109.907 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.34 80.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.178 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -57.16 -52.54 64.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.323 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' 1244 ' ' GLU . 42.0 m -65.03 -40.22 94.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.652 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 19.6 ttp180 -63.25 -36.5 83.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.553 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 19.3 tp -65.52 -46.39 79.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.821 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -57.68 -45.13 86.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.692 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' 1240 ' ' SER . 32.2 mt-10 -63.13 -40.85 98.81 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.253 0.549 . . . . 0.0 110.485 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.47 82.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.666 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.09 94.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.838 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.59 -35.33 70.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.309 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -74.49 -42.35 33.78 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.231 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.2 -31.82 72.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.799 0.333 . . . . 0.0 110.602 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -57.7 -39.46 77.26 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 174.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' A' 1255 ' ' GLU . 23.0 tt0 -76.31 -34.21 59.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.227 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.16 86.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.765 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' 1257 ' ' VAL . . . -66.4 -38.38 87.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.267 0.556 . . . . 0.0 109.998 174.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 92.5 m -62.71 -36.46 83.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.846 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' 1251 ' ' GLN . 47.6 mt-10 -63.28 -40.26 96.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.948 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.611 ' HB3' HD21 ' A' 1335 ' ' LEU . 35.2 mt -62.86 -36.87 84.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.757 0.313 . . . . 0.0 110.312 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' 1253 ' ' ALA . 76.8 t -64.25 -52.0 61.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.057 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . 0.496 ' HG2' ' HA ' ' A' 1255 ' ' GLU . 4.6 pt20 -67.16 -36.49 81.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.973 0.416 . . . . 0.0 110.901 -177.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.03 62.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.702 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . 0.448 ' HA ' HD21 ' A' 1267 ' ' LEU . 73.2 p -64.17 -24.33 67.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.064 0.459 . . . . 0.0 110.809 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -104.32 18.99 21.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.36 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.46 -91.15 0.97 Allowed Glycine 0 N--CA 1.44 -1.062 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 29.8 p -143.04 153.69 60.67 Favored Pre-proline 0 C--O 1.234 0.279 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . 0.53 ' HA ' HD12 ' A' 1267 ' ' LEU . 41.7 Cg_exo -60.04 -23.94 74.89 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.831 2.354 . . . . 0.0 111.986 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -74.28 -30.49 62.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -73.12 -40.75 64.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' 1264 ' ' PRO . 82.0 mt -55.47 -35.58 65.66 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.74 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' 1205 ' ' THR . . . -58.03 -56.32 23.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.145 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -67.63 -32.32 72.94 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.809 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.26 -44.04 97.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.861 174.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . 0.558 ' OG ' ' HA ' ' A' 1209 ' ' VAL . 9.0 t -65.94 -45.73 80.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.458 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -60.54 -40.03 97.23 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.511 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -76.24 -44.67 36.38 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.755 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 72.3 t80 -53.39 -49.69 66.7 Favored 'General case' 0 C--N 1.333 -0.142 0 O-C-N 123.33 0.394 . . . . 0.0 111.045 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . 0.412 ' HA2' HG23 ' A' 1216 ' ' VAL . . . -65.04 -40.12 96.83 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.521 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -71.83 -46.01 59.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.549 0.214 . . . . 0.0 111.296 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.14 -31.28 69.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.437 . . . . 0.0 110.241 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.448 ' CE2' HG13 ' A' 1216 ' ' VAL . 81.2 t80 -56.29 -37.85 70.44 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.849 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 23.0 t -57.7 -51.4 69.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.036 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 32.0 m -59.13 -39.59 82.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 74.1 t80 -62.81 -51.4 67.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.668 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' 1286 ' ' VAL . 26.4 tp -67.47 -41.89 83.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.162 -175.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.4 -32.59 70.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.64 0.257 . . . . 0.0 111.208 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -77.77 -42.13 35.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.881 0.372 . . . . 0.0 110.524 176.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.76 93.18 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.778 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.739 HG21 ' HB3' ' A' 1223 ' ' LEU . 24.4 t -67.49 -30.77 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.988 0.423 . . . . 0.0 110.459 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.61 -50.86 69.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.703 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . . . . . . . . . 24.8 ptm -71.01 -28.39 64.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.606 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -63.49 -36.06 82.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.009 0.433 . . . . 0.0 110.434 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -75.33 -10.81 84.46 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.363 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -95.77 -2.0 48.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.63 -0.335 . . . . 0.0 110.819 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . 0.443 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -65.61 121.07 73.36 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.359 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 22.6 Cg_exo -65.67 -41.9 13.54 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 123.211 2.607 . . . . 0.0 112.888 -175.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 22.0 m -94.48 127.92 40.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . 0.499 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 11.1 pt20 -66.62 -26.36 67.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.571 0.224 . . . . 0.0 110.966 -177.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.55 -43.65 96.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.308 0.575 . . . . 0.0 109.568 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 35.9 t70 -73.47 -38.79 65.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.049 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.499 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 56.6 ttt180 -58.31 -48.87 79.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.042 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -65.68 -33.26 75.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.07 0.462 . . . . 0.0 110.449 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.05 -50.56 65.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.017 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.553 ' O ' ' HG ' ' A' 1305 ' ' LEU . 11.5 p -63.78 -33.66 63.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.783 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' 1298 ' ' ARG . 73.5 t -65.2 -37.4 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 110.633 175.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 36.9 m -61.85 -40.73 96.35 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.0 0.428 . . . . 0.0 110.231 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . 0.561 ' HB2' HD23 ' A' 1349 ' ' LEU . 29.5 m-20 -64.76 -42.8 94.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.929 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.5 mt -60.17 -39.42 86.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.432 178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -61.98 -41.58 98.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.464 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.61 -46.91 65.34 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.415 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . 0.462 HD13 ' O ' ' A' 1308 ' ' ILE . 0.0 OUTLIER -77.29 -34.27 20.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.403 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 62.7 m -62.89 -43.88 97.61 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.113 0.482 . . . . 0.0 110.969 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . 0.674 ' HB3' ' HE2' ' A' 1314 ' ' LYS . 0.1 OUTLIER -68.55 -49.36 60.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.847 177.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.7 m -59.12 -39.13 81.37 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 12.4 p -67.22 -40.08 86.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.32 0.581 . . . . 0.0 110.084 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . . . . . . . . . 49.7 m -61.8 -46.6 88.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.574 175.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.674 ' HE2' ' HB3' ' A' 1310 ' ' MET . 60.4 mttm -64.35 -33.74 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.863 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.645 HD22 ' HA ' ' A' 1339 ' ' ALA . 26.2 tp -65.02 -46.96 79.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.588 ' O ' ' HG3' ' A' 1320 ' ' LYS . 79.3 mt -57.91 -38.89 76.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.387 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.11 -34.72 72.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.171 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.57 70.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.554 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -66.6 -42.26 87.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.127 0.489 . . . . 0.0 110.596 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . 1.025 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 8.0 mtpm? -58.98 -48.27 82.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.566 177.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -63.64 -33.11 74.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.804 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' 1331 ' ' LEU . 28.4 tp -74.57 -16.7 60.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.417 . . . . 0.0 110.937 -178.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 25.3 m -79.22 -30.29 43.21 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.028 0.442 . . . . 0.0 110.247 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 7.0 p -91.84 -26.7 18.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.63 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . 0.403 ' O ' HD12 ' A' 1322 ' ' LEU . 4.0 m-20 -121.66 72.74 31.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.065 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -82.46 -9.04 11.45 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.743 2.295 . . . . 0.0 112.326 -175.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . 0.559 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -97.19 2.34 50.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 -177.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 14.5 m -93.07 101.21 5.06 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.289 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . 0.578 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 18.1 Cg_exo -66.58 -32.47 38.81 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.001 2.468 . . . . 0.0 112.777 -175.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 8.8 t30 -66.77 -31.08 71.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.639 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' 1322 ' ' LEU . 21.0 tp -68.75 -25.01 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.724 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.578 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 3.7 mptp? -63.71 -45.38 90.23 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.227 0.537 . . . . 0.0 109.606 174.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 22.3 m -68.73 -35.43 77.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.263 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -65.39 -39.47 92.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 0.0 109.944 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' 1256 ' ' LEU . 8.2 tt -63.38 -48.74 76.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.718 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.5 -37.8 76.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.54 83.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.985 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' 1342 ' ' VAL . . . -66.55 -38.76 87.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.758 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . 0.645 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -63.83 -38.35 90.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.173 0.511 . . . . 0.0 110.457 177.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -37.66 88.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.059 176.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.31 -44.17 84.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.79 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' 1346 ' ' ILE . 96.4 t -58.71 -51.47 71.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.939 0.399 . . . . 0.0 110.363 177.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 23.4 m -60.0 -37.07 78.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.702 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.88 -47.38 83.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.774 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 45.7 m -65.23 -37.8 88.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.241 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.508 ' O ' HG12 ' A' 1350 ' ' ILE . 91.2 mt -58.25 -54.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 121.007 0.432 . . . . 0.0 109.912 176.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -62.41 -33.59 75.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.261 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.67 -47.27 86.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.452 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.561 HD23 ' HB2' ' A' 1304 ' ' ASN . 2.7 tm? -71.27 -37.7 71.89 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' 1346 ' ' ILE . 33.0 mm -65.71 -36.67 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.171 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 41.5 m -66.59 -34.66 78.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.934 0.397 . . . . 0.0 110.42 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 64.3 mtt -80.31 -27.87 38.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.807 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 13.0 p -67.83 -27.62 66.87 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.1 0.476 . . . . 0.0 109.883 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 18.1 p -92.18 162.95 14.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.777 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -67.3 106.22 1.99 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.579 0.704 . . . . 0.0 109.71 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . 0.413 ' HG2' ' H ' ' A' 1356 ' ' GLN . 13.3 pt20 -84.34 118.23 24.09 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.576 -172.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.89 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.215 176.304 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 49.0 mm 69.47 103.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 123.082 0.553 . . . . 0.0 111.485 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 14.2 t70 72.87 115.51 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.413 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.858 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -80.68 6.46 5.46 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 123.0 2.466 . . . . 0.0 113.285 -176.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 96.7 m-85 66.22 1.66 2.07 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.16 0.584 . . . . 0.0 112.003 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . . . . . . . . . 90.2 m -65.7 -43.11 90.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.252 0.548 . . . . 0.0 111.222 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.446 ' O ' HG22 ' A' 1209 ' ' VAL . 71.1 mt-30 -74.94 -28.17 60.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -75.75 -21.97 56.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.855 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.4 -42.38 77.86 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.632 0.253 . . . . 0.0 111.667 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.558 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 34.3 m -71.25 -22.57 22.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.919 0.39 . . . . 0.0 110.697 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -80.82 -48.59 12.22 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.053 0.454 . . . . 0.0 110.064 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 39.6 t30 -62.15 -37.22 84.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.075 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -56.21 -36.52 68.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.317 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . 0.607 HD11 ' HD2' ' A' 1320 ' ' LYS . 38.7 mt -66.49 -36.3 82.39 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.089 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 38.2 ttp180 -60.41 -38.08 82.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.41 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . 0.417 ' HB1' ' OG ' ' A' 1279 ' ' SER . . . -69.88 -44.85 68.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.104 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.547 HG13 ' CE2' ' A' 1278 ' ' PHE . 67.7 t -70.51 -47.54 64.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.574 -177.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -65.4 -47.47 78.77 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.089 -0.576 . . . . 0.0 112.799 -176.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' 1222 ' ' ARG . 31.3 t70 -65.49 -35.46 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.191 -0.203 . . . . 0.0 111.011 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . 0.431 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -61.76 -47.67 84.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.991 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 33.8 m -62.53 -42.02 99.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.214 0.53 . . . . 0.0 110.495 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -66.67 -40.15 88.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.19 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' 1218 ' ' ASP . 0.2 OUTLIER -73.57 -47.52 39.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.094 -175.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.757 HD22 ' HG3' ' A' 1229 ' ' PRO . 62.8 mt -84.44 -25.86 28.67 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -169.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 83.9 mt -104.09 6.51 35.92 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.617 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 28.2 m -155.51 132.92 11.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.456 0.17 . . . . 0.0 111.224 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 18.9 t70 73.72 -58.16 0.6 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.457 0.703 . . . . 0.0 112.295 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 57.0 tp -102.08 141.62 34.63 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.188 0.518 . . . . 0.0 111.333 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 88.2 mt -106.32 129.69 24.13 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 169.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.757 ' HG3' HD22 ' A' 1223 ' ' LEU . 68.9 Cg_exo -52.06 123.05 11.66 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.948 2.432 . . . . 0.0 112.714 -178.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 24.3 Cg_exo -63.41 132.38 35.66 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.754 2.302 . . . . 0.0 110.622 175.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 59.0 m -71.05 94.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.221 0.534 . . . . 0.0 111.529 -175.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 28.2 m -87.15 -32.55 19.8 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.023 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -106.89 120.97 6.39 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.172 172.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.04 -172.04 1.26 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.597 0.236 . . . . 0.0 111.308 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . 0.527 ' HA ' ' OE1' ' A' 1291 ' ' GLN . 81.1 m-85 -51.22 133.73 28.1 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.583 177.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 9.5 tt0 72.71 -47.29 0.67 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.083 0.865 . . . . 0.0 111.351 -176.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.83 -31.42 70.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.878 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.96 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.308 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -71.86 -42.12 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.161 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 16.7 m -59.8 -35.09 73.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.962 0.411 . . . . 0.0 110.482 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -72.12 -46.72 55.47 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.196 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . 0.449 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 36.1 tp -60.06 -41.77 93.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.79 177.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -60.52 -36.64 78.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.86 -42.2 86.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.666 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -73.32 -35.51 66.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.919 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -58.04 -52.91 63.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.434 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -58.44 -35.53 72.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.303 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -72.54 -43.63 43.8 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.26 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.7 tp -68.6 -30.55 69.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.672 0.272 . . . . 0.0 110.902 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -58.39 -40.59 82.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 0.0 110.477 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -76.14 -34.36 59.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.72 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' 1255 ' ' GLU . . . -60.72 -34.1 73.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' 1257 ' ' VAL . . . -69.92 -44.05 70.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.095 174.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.0 m -55.07 -36.15 65.29 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.693 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' 1252 ' ' ALA . 66.9 mm-40 -54.96 -50.09 69.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.245 175.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.442 ' HB3' HD21 ' A' 1335 ' ' LEU . 64.2 mt -66.7 -32.58 73.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.964 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' 1253 ' ' ALA . 57.9 t -63.66 -52.12 61.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.747 0.308 . . . . 0.0 111.03 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -70.31 -30.7 67.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.102 0.477 . . . . 0.0 110.474 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -72.26 -27.6 62.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . 0.449 ' HB2' HD22 ' A' 1335 ' ' LEU . 28.1 t -56.53 -32.46 65.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.928 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . 0.454 HH11 ' HD2' ' A' 1261 ' ' ARG . 13.5 mtp180 -109.5 17.52 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -113.74 -99.17 2.33 Favored Glycine 0 N--CA 1.439 -1.156 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 13.1 p -140.88 160.26 59.11 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 120.543 0.211 . . . . 0.0 110.545 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . 0.614 ' HA ' HD12 ' A' 1267 ' ' LEU . 32.3 Cg_exo -60.59 -26.36 82.7 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.72 2.28 . . . . 0.0 111.938 174.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -70.96 -37.95 72.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.448 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -65.32 -44.32 88.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.748 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' 1264 ' ' PRO . 87.0 mt -54.22 -44.26 71.54 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.894 176.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -59.79 -54.99 39.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.54 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.58 -31.81 70.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.517 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -70.08 -43.83 70.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.722 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 46.7 m -58.21 -45.56 87.45 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.43 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.32 -44.74 96.32 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.718 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' 1273 ' ' ARG . 28.1 mtm180 -73.37 -44.23 59.04 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.297 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . 0.508 ' HD2' HD21 ' A' 1316 ' ' LEU . 73.0 t80 -57.76 -41.84 82.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.729 -177.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -68.19 -42.89 82.49 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.632 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.2 -47.2 65.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.672 0.272 . . . . 0.0 110.989 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -62.52 -35.99 81.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.651 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.547 ' CE2' HG13 ' A' 1216 ' ' VAL . 74.4 t80 -62.59 -39.4 93.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.627 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . 0.417 ' OG ' ' HB1' ' A' 1215 ' ' ALA . 22.0 m -57.24 -48.81 77.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.374 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 24.6 m -71.54 -37.77 71.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.691 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . 0.451 ' HE2' HG21 ' A' 1308 ' ' ILE . 80.9 t80 -57.5 -51.56 68.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.793 177.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' 1286 ' ' VAL . 41.7 tp -64.12 -40.4 96.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.982 -177.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . 0.427 ' HA ' HD13 ' A' 1223 ' ' LEU . 37.7 mt-10 -57.71 -48.63 79.02 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.728 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -64.33 -34.56 78.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.925 0.393 . . . . 0.0 110.929 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . 0.459 ' O ' ' HG2' ' A' 1288 ' ' MET . . . -64.24 -47.34 85.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.355 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.559 ' HB ' ' HG2' ' A' 1229 ' ' PRO . 7.5 t -74.43 -24.35 18.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.274 0.559 . . . . 0.0 109.904 178.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.27 -42.53 83.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.677 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.643 ' O ' ' HG2' ' A' 1291 ' ' GLN . 12.9 ptm -68.54 -24.9 64.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.042 0.449 . . . . 0.0 109.853 176.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . 0.678 ' HB1' ' HG3' ' A' 1298 ' ' ARG . . . -73.3 -8.71 56.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.151 0.501 . . . . 0.0 110.362 173.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -91.1 -27.63 17.96 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.153 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' 1288 ' ' MET . 29.4 pt20 -78.13 -12.58 60.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.211 0.529 . . . . 0.0 109.731 177.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . 0.482 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -85.44 115.98 63.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.36 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.6 Cg_exo -74.74 -27.66 10.35 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 123.068 2.512 . . . . 0.0 112.66 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 26.7 m -84.82 129.45 34.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.906 0.384 . . . . 0.0 111.038 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -63.66 -38.28 90.5 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.967 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -69.97 -38.92 76.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 0.0 110.384 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.94 -41.86 97.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.265 0.555 . . . . 0.0 109.802 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.678 ' HG3' ' HB1' ' A' 1289 ' ' ALA . 65.8 ttt180 -60.56 -43.05 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.461 174.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.36 79.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.021 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -58.54 -54.02 51.81 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.579 ' O ' ' HG ' ' A' 1305 ' ' LEU . 3.7 p -68.2 -34.38 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.032 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.573 ' HA ' HD12 ' A' 1305 ' ' LEU . 60.5 t -67.5 -30.76 49.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.69 0.281 . . . . 0.0 111.213 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 34.4 m -63.41 -38.1 89.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.853 0.359 . . . . 0.0 110.153 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -65.37 -42.11 93.07 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.369 0.604 . . . . 0.0 109.971 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.2 mt -58.3 -48.14 81.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.715 -176.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.24 -41.82 97.54 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.35 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -55.14 -45.43 82.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.609 -177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . 0.451 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -77.52 -36.06 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 122.62 -0.341 . . . . 0.0 110.465 179.131 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . 0.465 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 50.3 m -64.75 -46.96 79.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 111.281 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . 0.599 ' O ' ' HG3' ' A' 1314 ' ' LYS . 19.1 ptm -66.04 -38.33 88.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.225 -178.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 22.4 m -70.72 -35.19 72.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.245 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 38.9 t -62.56 -44.39 96.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.504 0.669 . . . . 0.0 109.336 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.533 ' O ' ' HG ' ' A' 1317 ' ' LEU . 64.0 m -58.43 -51.32 70.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.641 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' 1310 ' ' MET . 85.9 mttt -65.75 -32.87 74.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.155 -177.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.585 HD22 ' HA ' ' A' 1339 ' ' ALA . 46.3 tp -65.39 -46.96 78.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.996 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.552 ' O ' ' HG3' ' A' 1320 ' ' LYS . 99.4 mt -65.57 -32.74 74.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.777 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' 1313 ' ' SER . 95.8 mt -61.79 -35.25 77.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.002 0.429 . . . . 0.0 110.434 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.86 -36.23 75.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.343 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -65.58 -33.29 75.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.721 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . 0.607 ' HD2' HD11 ' A' 1213 ' ' LEU . 6.2 mtpm? -64.33 -47.72 78.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.129 0.49 . . . . 0.0 110.187 176.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . 0.424 ' C ' HD21 ' A' 1331 ' ' LEU . . . -66.5 -33.66 76.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.782 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' 1325 ' ' ASP . 24.6 tp -81.7 -16.81 50.03 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 10.0 p -85.39 -26.06 26.67 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.411 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 6.5 t -91.54 -30.27 16.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 109.913 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . 0.42 ' O ' HD12 ' A' 1322 ' ' LEU . 10.0 t70 -128.16 92.91 40.35 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.342 176.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -92.85 14.83 1.56 Allowed 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 122.793 2.328 . . . . 0.0 112.316 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -102.22 -42.71 5.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.732 -174.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 18.4 m -61.68 111.68 4.83 Favored Pre-proline 0 CA--C 1.533 0.296 0 O-C-N 123.293 0.37 . . . . 0.0 111.714 -175.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1328 ' ' SER . 21.8 Cg_exo -65.54 -31.78 50.06 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.021 2.481 . . . . 0.0 111.931 -178.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -62.76 -28.24 69.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.417 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . 0.424 HD21 ' C ' ' A' 1321 ' ' ALA . 20.5 tp -76.17 -34.41 59.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.441 -178.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' 1260 ' ' SER . 4.4 mptp? -58.02 -53.05 62.61 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.16 0.505 . . . . 0.0 109.924 174.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 43.5 m -64.27 -39.57 94.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.146 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.79 -43.47 94.4 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.715 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . 0.449 HD22 ' HB2' ' A' 1260 ' ' SER . 9.7 tt -64.07 -48.19 77.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.988 177.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . 0.624 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -56.71 -39.55 74.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.236 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.93 99.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.166 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' 1342 ' ' VAL . . . -69.67 -37.68 76.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.497 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . 0.585 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.23 -43.72 98.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.794 177.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' 1336 ' ' ALA . 29.6 mmt180 -59.59 -41.92 91.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.194 177.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.57 99.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.977 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' 1346 ' ' ILE . 89.7 t -62.3 -52.91 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.457 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . 0.415 ' HA ' HD12 ' A' 1346 ' ' ILE . 25.7 m -61.76 -34.69 76.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 110.812 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.98 -46.52 84.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.536 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 48.8 m -72.79 -28.36 62.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.425 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' 1342 ' ' VAL . 91.7 mt -61.23 -54.43 35.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.947 0.403 . . . . 0.0 110.188 175.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 6.9 p30 -71.76 -28.87 63.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.298 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -60.88 -46.56 90.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.836 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.0 -52.06 67.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.205 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.449 ' CD1' ' HG ' ' A' 1242 ' ' LEU . 41.0 mm -62.35 -45.82 97.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.389 -177.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 50.2 m -69.48 -43.95 72.13 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.898 0.332 . . . . 0.0 111.898 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 93.0 mmm -76.25 -27.23 56.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.605 0.241 . . . . 0.0 111.578 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . 0.461 ' HB3' ' HE1' ' A' 1288 ' ' MET . 94.7 m -86.06 -66.52 0.89 Allowed 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.442 179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 66.5 p 44.56 -134.72 0.65 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.273 0.358 . . . . 0.0 110.719 -171.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -139.22 8.43 2.46 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -131.93 -34.68 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.135 -173.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.644 -0.693 . . . . 0.0 110.769 179.893 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 10.3 tt -119.28 120.78 64.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.255 0.55 . . . . 0.0 110.855 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -141.62 127.76 11.14 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.472 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . 0.413 ' HB2' ' HG2' ' A' 1206 ' ' GLN . 35.2 Cg_endo -65.86 97.39 0.33 Allowed 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.497 2.131 . . . . 0.0 112.228 -179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -67.27 -22.76 65.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.973 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . 0.635 ' O ' ' HB1' ' A' 1268 ' ' ALA . 22.5 m -60.88 -49.97 75.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.294 175.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.413 ' HG2' ' HB2' ' A' 1203 ' ' PRO . 12.7 mm100 -61.69 -29.19 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' 1207 ' ' ARG . 22.4 mmt180 -70.71 -17.63 62.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.269 -178.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . 0.721 ' HA ' ' HB3' ' A' 1211 ' ' ASN . 23.4 m-20 -62.5 -22.73 66.5 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -174.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . . . . . . . . . 33.4 m -71.32 -28.66 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.885 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -83.53 -45.97 12.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.845 173.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . 0.721 ' HB3' ' HA ' ' A' 1208 ' ' ASP . 34.6 t30 -51.99 -43.6 63.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.096 177.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . 0.567 ' HB1' HD13 ' A' 1316 ' ' LEU . . . -53.81 -54.55 36.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.32 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' 1316 ' ' LEU . 59.2 mt -63.8 -39.61 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -58.87 -44.32 91.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.564 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.7 -48.74 53.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.58 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . . . . . . . . . 88.9 t -60.54 -42.75 92.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.97 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -70.11 -26.31 74.45 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.57 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' A' 1221 ' ' LYS . 14.0 t70 -83.87 -39.19 20.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.365 . . . . 0.0 110.969 -177.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . 0.452 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -63.05 -44.7 95.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.304 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . 0.588 ' O ' ' HB2' ' A' 1224 ' ' LEU . 15.0 p -67.96 -26.79 66.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.408 0.623 . . . . 0.0 110.294 177.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' 1218 ' ' ASP . 27.2 ttmt -69.16 -57.04 5.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.798 178.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -70.7 -54.06 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.927 -177.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.513 ' HA ' ' HB3' ' A' 1227 ' ' LEU . 83.5 mt -67.35 -42.59 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.519 0.562 . . . . 0.0 112.519 -169.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . 0.588 ' HB2' ' O ' ' A' 1220 ' ' SER . 4.6 mm? -76.67 8.53 3.52 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.06 0.457 . . . . 0.0 112.057 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 66.6 m -96.93 32.12 2.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.801 174.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 19.4 t70 67.25 35.09 4.57 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.155 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . 0.513 ' HB3' ' HA ' ' A' 1223 ' ' LEU . 4.0 tt -89.83 97.36 11.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.032 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . 0.49 HD22 ' HA3' ' A' 1290 ' ' GLY . 63.8 mt -97.11 111.95 59.39 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.152 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' 1228 ' ' LEU . 25.5 Cg_endo -63.36 127.61 20.44 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.476 2.117 . . . . 0.0 111.593 178.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.66 108.88 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.092 2.528 . . . . 0.0 112.177 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 7.2 m -90.65 137.09 32.63 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.038 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 5.0 m -87.21 -1.22 57.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.845 0.831 . . . . 0.0 110.157 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 147.11 -74.95 0.29 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.805 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . 0.771 ' HA ' ' HB3' ' A' 1237 ' ' GLU . 39.5 p 42.53 -96.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 176.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 36.3 t80 56.87 -82.75 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.528 0.731 . . . . 0.0 110.493 -173.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.62 -34.06 69.49 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.317 0.579 . . . . 0.0 109.528 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . 0.771 ' HB3' ' HA ' ' A' 1234 ' ' THR . 38.4 tt0 -67.62 -38.29 83.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.025 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . 0.514 ' HB2' ' HB ' ' A' 1234 ' ' THR . . . -69.31 -30.12 68.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.102 178.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -68.0 -44.71 75.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.552 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 35.2 t -63.02 -35.48 80.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.677 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -61.73 -40.21 94.27 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.859 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . 0.469 HD12 ' SD ' ' A' 1288 ' ' MET . 1.0 OUTLIER -61.54 -38.99 89.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.656 176.414 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . 0.451 ' N ' HD22 ' A' 1243 ' ' ASN . 0.9 OUTLIER -66.84 -41.38 87.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.826 0.346 . . . . 0.0 110.458 -178.163 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.89 -50.9 71.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.288 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -66.33 -34.04 77.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.189 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.12 74.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.254 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.91 93.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.697 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.71 -44.3 96.55 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.102 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 26.0 tp -73.07 -35.15 66.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.77 0.319 . . . . 0.0 110.765 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -61.7 -40.16 94.04 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.12 0.486 . . . . 0.0 110.289 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' 1255 ' ' GLU . 23.7 tt0 -73.3 -33.2 65.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.276 176.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -62.0 -38.11 87.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.964 0.411 . . . . 0.0 110.43 176.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' 1257 ' ' VAL . . . -65.02 -39.3 93.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.135 0.493 . . . . 0.0 109.793 172.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 76.1 m -62.08 -37.82 86.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.713 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' 1251 ' ' GLN . 42.7 mm-40 -55.68 -49.83 71.9 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.992 174.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.472 ' HB3' HD21 ' A' 1335 ' ' LEU . 52.4 mt -62.21 -34.77 77.1 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.263 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' 1253 ' ' ALA . 80.6 t -62.2 -52.28 62.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.753 0.311 . . . . 0.0 110.703 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -61.7 -43.1 99.49 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.158 0.504 . . . . 0.0 110.587 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . 0.505 ' HB1' ' CA ' ' A' 1267 ' ' LEU . . . -67.88 -33.31 74.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.818 -178.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . 0.532 ' HA ' HD21 ' A' 1322 ' ' LEU . 35.5 t -61.12 -32.37 72.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.963 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -58.51 -29.68 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.385 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 137.42 91.88 0.28 Allowed Glycine 0 CA--C 1.499 -0.929 0 C-N-CA 120.117 -1.039 . . . . 0.0 115.449 162.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . 0.549 HG23 ' HB2' ' A' 1266 ' ' ASP . 0.0 OUTLIER -168.21 117.65 0.64 Allowed Pre-proline 0 N--CA 1.446 -0.625 0 CA-C-N 114.412 -0.894 . . . . 0.0 109.186 169.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' 1263 ' ' THR . 35.2 Cg_exo -60.57 -43.19 34.41 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.373 2.715 . . . . 0.0 113.253 -170.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -67.65 -28.49 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.909 0.385 . . . . 0.0 110.741 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . 0.549 ' HB2' HG23 ' A' 1263 ' ' THR . 2.1 m-20 -75.34 -56.0 5.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.189 176.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.505 ' CA ' ' HB1' ' A' 1259 ' ' ALA . 47.1 tp -54.79 -50.77 67.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.591 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' 1205 ' ' THR . . . -61.61 -51.86 66.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.107 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . 0.665 ' HA ' ' HE ' ' A' 1269 ' ' ARG . 1.0 OUTLIER -61.6 -36.54 81.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.704 -179.363 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.68 95.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.637 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 16.6 m -59.8 -47.15 86.86 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.293 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -62.79 -34.44 89.75 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.632 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -75.7 -42.76 50.09 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.545 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . 0.409 ' CD2' HD21 ' A' 1316 ' ' LEU . 68.0 t80 -57.37 -47.03 82.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.617 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -66.38 -28.85 73.98 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.185 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -75.02 -51.91 12.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.09 -29.84 70.6 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.691 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.558 ' HE1' ' HA ' ' A' 1309 ' ' SER . 83.0 t80 -57.18 -47.68 80.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.048 176.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 91.0 p -63.75 -40.34 96.47 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.342 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 19.2 m -62.22 -37.14 84.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.226 0.536 . . . . 0.0 110.558 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . 0.419 ' HE2' HG21 ' A' 1308 ' ' ILE . 74.2 t80 -71.63 -51.16 24.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.753 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' 1286 ' ' VAL . 28.5 tp -61.64 -44.2 97.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.358 -175.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.56 -44.97 89.88 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.646 0.26 . . . . 0.0 111.277 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -62.63 -43.1 99.66 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.028 0.442 . . . . 0.0 110.621 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.56 -45.62 95.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.183 178.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' 1223 ' ' LEU . 92.6 t -65.69 -36.01 76.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.437 0.16 . . . . 0.0 110.923 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' 1291 ' ' GLN . 36.6 tt0 -61.26 -45.98 92.24 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.602 0.239 . . . . 0.0 110.623 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.494 ' HE1' ' HB2' ' A' 1353 ' ' CYS . 21.0 ptm -78.23 -26.82 47.5 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.985 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -68.17 -35.15 77.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.962 0.411 . . . . 0.0 110.426 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . 0.49 ' HA3' HD22 ' A' 1228 ' ' LEU . . . -71.67 -13.07 74.65 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.944 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' 1287 ' ' GLU . 9.6 pt20 -114.8 12.81 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.843 0.354 . . . . 0.0 111.334 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -72.18 123.81 89.99 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.914 174.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 22.8 Cg_exo -64.87 -55.83 0.46 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.144 2.562 . . . . 0.0 113.363 -174.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . 0.427 ' HB2' ' HB3' ' A' 1297 ' ' ASP . 16.2 m -76.97 128.2 34.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.703 -177.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -64.42 -33.69 76.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.809 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.69 -45.3 79.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.475 0.655 . . . . 0.0 109.707 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' A' 1294 ' ' SER . 34.8 t70 -64.25 -42.57 96.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.345 178.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.483 ' HA ' HG12 ' A' 1301 ' ' VAL . 71.5 ttt180 -63.82 -43.37 96.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.619 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.94 80.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.863 0.363 . . . . 0.0 110.527 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -63.59 -53.44 51.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.821 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.67 ' HA ' ' ND2' ' A' 1304 ' ' ASN . 12.2 p -63.34 -32.19 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.284 -176.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.592 ' HA ' HD12 ' A' 1305 ' ' LEU . 72.9 t -69.41 -35.57 67.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.017 0.437 . . . . 0.0 110.682 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 12.7 t -68.09 -36.71 80.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.026 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . 0.67 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 41.7 m-20 -59.13 -40.12 84.46 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.235 0.541 . . . . 0.0 109.604 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.637 HD23 HD11 ' A' 1349 ' ' LEU . 89.5 mt -58.05 -42.67 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.523 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -67.86 -41.86 82.25 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.361 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.11 -45.13 63.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.436 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . 0.585 HG13 HG12 ' A' 1346 ' ' ILE . 0.0 OUTLIER -78.95 -41.1 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.972 179.416 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . 0.558 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 68.3 m -59.11 -46.71 87.61 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.744 0.306 . . . . 0.0 111.031 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . . . . . . . . . 51.1 mtm -58.82 -53.09 62.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.861 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 42.2 m -59.52 -38.76 81.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.314 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 50.8 m -65.7 -39.99 91.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.404 0.621 . . . . 0.0 110.069 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' 1317 ' ' LEU . 48.9 m -62.07 -50.97 69.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.386 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.596 ' HA ' HD12 ' A' 1317 ' ' LEU . 49.4 mttm -61.65 -32.67 72.85 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.33 -178.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.407 HD23 ' CZ ' ' A' 1274 ' ' PHE . 41.6 tp -65.89 -48.93 69.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 110.928 177.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.567 HD13 ' HB1' ' A' 1212 ' ' ALA . 79.9 mt -66.01 -26.57 67.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.24 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' 1314 ' ' LYS . 95.0 mt -59.87 -27.66 66.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.776 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.81 57.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.184 176.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.46 83.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -51.38 -50.07 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.777 174.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -78.35 -29.01 47.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.429 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' 1260 ' ' SER . 36.1 tp -78.09 -21.55 50.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.574 -175.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 21.5 p -74.4 -28.95 61.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.101 0.477 . . . . 0.0 110.452 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 17.3 p -92.53 -30.44 15.67 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 176.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . 0.466 ' O ' HD12 ' A' 1322 ' ' LEU . 10.4 t70 -127.69 89.83 49.82 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.156 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -92.09 16.57 1.42 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.63 2.22 . . . . 0.0 112.203 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -105.91 -39.14 6.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.028 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 23.6 m -62.74 115.31 16.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.925 0.393 . . . . 0.0 111.503 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 21.7 Cg_exo -64.89 -33.95 50.54 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.079 2.519 . . . . 0.0 112.043 -178.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -63.43 -25.96 68.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.749 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 14.6 tp -76.02 -30.65 58.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.875 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.3 mptm? -62.16 -47.35 84.93 Favored 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 10.0 m -62.12 -36.56 82.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.207 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.36 -46.29 87.23 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 110.338 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.1 tt -67.01 -46.75 73.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.299 -179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -55.86 -42.28 75.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.051 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.86 86.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.024 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.05 -35.27 79.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -61.57 -39.92 92.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.638 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' 1336 ' ' ALA . 36.4 mmt180 -60.42 -40.5 91.22 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.118 177.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.63 94.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.726 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' 1338 ' ' ALA . 79.8 t -65.49 -52.3 53.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.68 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 41.8 m -56.22 -46.7 79.42 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.039 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.6 t70 -61.06 -45.47 94.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.222 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 27.5 m -65.29 -37.7 87.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.131 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.585 HG12 HG13 ' A' 1308 ' ' ILE . 79.9 mt -61.83 -53.23 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.031 0.443 . . . . 0.0 110.378 177.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -64.04 -37.73 88.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.852 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -62.32 -36.12 81.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.635 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.661 ' HG ' ' CB ' ' A' 1304 ' ' ASN . 2.8 tt -64.83 -50.89 64.92 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.618 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 37.4 mm -63.29 -44.34 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.159 -177.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 95.8 m -56.3 -36.6 68.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 111.204 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 21.9 mmt -78.12 -46.75 19.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.578 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . 0.618 ' SG ' ' HA ' ' A' 1350 ' ' ILE . 28.7 p -75.09 -25.04 58.23 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -174.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 36.7 m -68.03 96.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -69.06 95.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.111 0.481 . . . . 0.0 109.977 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -167.65 92.81 0.39 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.801 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.465 -0.779 . . . . 0.0 109.944 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 6.0 tp -137.45 122.83 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.103 0.478 . . . . 0.0 111.061 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . 0.409 ' OD2' ' HG2' ' A' 1207 ' ' ARG . 2.6 p-10 -99.82 137.92 20.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.741 177.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -65.55 -71.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.317 2.011 . . . . 0.0 111.251 176.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -145.36 76.01 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.833 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . 0.494 ' HA ' ' HB2' ' A' 1268 ' ' ALA . 24.4 m -131.79 -55.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.906 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.493 ' O ' HG22 ' A' 1209 ' ' VAL . 48.1 mt-30 -91.12 -28.02 18.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.371 0.605 . . . . 0.0 109.607 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.409 ' HG2' ' OD2' ' A' 1202 ' ' ASP . 11.8 mmt180 -60.72 -41.53 95.46 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.01 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.05 -31.38 71.86 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.563 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 29.7 m -80.58 -27.88 11.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.368 -176.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -82.77 -44.5 15.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 9.9 t30 -60.15 -33.94 72.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.585 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' 1216 ' ' VAL . . . -59.63 -47.24 86.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.648 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . 0.596 HD21 ' HB2' ' A' 1316 ' ' LEU . 25.7 mt -64.82 -35.65 81.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.721 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -59.74 -43.55 94.2 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.969 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.68 -46.62 71.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.25 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.538 HG13 ' CE2' ' A' 1278 ' ' PHE . 76.6 t -60.6 -48.6 87.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.062 0.458 . . . . 0.0 110.865 179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.79 -39.24 97.23 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.076 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.26 -48.8 79.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.47 . . . . 0.0 110.64 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . 0.554 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -61.94 -49.15 77.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.176 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . 0.53 ' O ' ' HB3' ' A' 1224 ' ' LEU . 24.5 t -65.47 -24.56 67.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.952 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 57.1 tptt -78.24 -57.77 3.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.859 0.361 . . . . 0.0 111.016 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -73.75 -54.57 7.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.896 -173.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.67 ' HA ' ' O ' ' A' 1227 ' ' LEU . 57.4 mt -63.29 -39.35 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.863 -171.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' 1220 ' ' SER . 14.6 tp -79.65 -24.36 41.89 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.157 -173.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 10.7 t -78.3 -45.63 22.21 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.816 -176.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -170.03 -35.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . 0.67 ' O ' ' HA ' ' A' 1223 ' ' LEU . 2.1 tt -69.31 84.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.177 0.513 . . . . 0.0 111.336 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 3.9 pp -114.82 155.69 45.99 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.447 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.604 ' HG2' ' HB2' ' A' 1287 ' ' GLU . 52.4 Cg_exo -55.93 112.19 0.99 Allowed 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.731 2.287 . . . . 0.0 112.538 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 2.3 Cg_endo -81.32 113.8 2.7 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.137 2.558 . . . . 0.0 111.69 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 7.4 p 50.42 -175.74 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.95 0.9 . . . . 0.0 112.176 -175.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 1.7 m 65.95 22.29 11.3 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.52 0.676 . . . . 0.0 110.0 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -146.2 67.76 0.4 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.872 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 46.3 p -71.74 170.0 14.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.68 0.276 . . . . 0.0 110.841 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . 0.406 ' HA ' HE21 ' A' 1291 ' ' GLN . 31.5 p90 -54.96 -35.6 64.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.377 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -71.5 -47.99 51.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.626 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -62.88 -49.39 75.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.1 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -61.38 -36.3 79.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.058 -177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . 0.805 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 61.7 tt0 -62.76 -51.91 65.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.033 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . 0.506 ' O ' ' HG2' ' A' 1244 ' ' GLU . 8.8 m -60.21 -36.05 76.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.368 0.604 . . . . 0.0 109.981 177.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -66.09 -44.63 83.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.893 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . 0.564 HD22 ' HB1' ' A' 1284 ' ' ALA . 2.7 mm? -65.63 -35.6 81.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 178.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -62.66 -42.7 99.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.759 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' 1240 ' ' SER . 29.7 mm-40 -65.73 -44.99 84.33 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.366 0.603 . . . . 0.0 110.164 178.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -69.25 -42.16 75.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.725 -174.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . 0.512 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -60.3 -53.84 52.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.989 -176.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.52 97.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.864 0.364 . . . . 0.0 111.002 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.45 94.28 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.041 178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 26.0 tp -71.01 -34.61 71.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.488 0.185 . . . . 0.0 110.757 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -59.62 -44.54 93.4 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 110.552 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' 1255 ' ' GLU . 27.1 tt0 -72.62 -32.63 66.08 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.226 176.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.32 91.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.92 0.391 . . . . 0.0 110.945 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' 1257 ' ' VAL . . . -63.77 -41.57 97.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.33 0.586 . . . . 0.0 110.006 174.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 95.7 m -62.83 -33.66 75.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.158 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' 1251 ' ' GLN . 13.0 mm-40 -59.14 -41.72 88.96 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.712 176.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.58 ' HB3' HD21 ' A' 1335 ' ' LEU . 36.3 mt -67.06 -31.92 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.713 176.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' 1253 ' ' ALA . 60.6 t -63.87 -50.29 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.796 178.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -73.31 -29.08 62.45 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.531 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.69 94.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.463 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . 0.579 ' OG ' ' HA ' ' A' 1332 ' ' LYS . 14.8 t -56.51 -27.54 57.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.997 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -107.77 24.21 13.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.712 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -129.6 -99.64 0.9 Allowed Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.974 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 71.0 p -140.99 154.07 67.95 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.591 0.195 . . . . 0.0 111.101 -173.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.44 -34.35 88.97 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.887 2.392 . . . . 0.0 112.599 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -73.48 -26.76 61.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.547 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.45 -44.06 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.703 HD21 HD23 ' A' 1322 ' ' LEU . 5.4 mp -58.54 -42.1 87.05 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.662 174.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . 0.494 ' HB2' ' HA ' ' A' 1205 ' ' THR . . . -57.35 -54.87 41.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.243 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' 1269 ' ' ARG . 37.1 ttp180 -56.33 -42.98 78.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.118 0.485 . . . . 0.0 110.317 177.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.96 99.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.13 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 32.8 m -64.47 -41.77 96.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.938 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -65.41 -45.9 88.3 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.438 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -63.05 -48.67 77.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 72.8 t80 -57.18 -48.57 78.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.973 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -67.24 -44.81 85.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.853 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.31 -42.51 83.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 110.92 -177.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -72.7 -35.58 67.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.538 ' CE2' HG13 ' A' 1216 ' ' VAL . 68.6 t80 -61.68 -39.84 92.87 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 176.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . 0.613 ' O ' ' HG3' ' A' 1283 ' ' GLU . 50.2 m -55.26 -48.8 73.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.385 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 12.5 m -68.37 -35.88 78.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.776 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . 0.45 ' HE2' HG21 ' A' 1308 ' ' ILE . 77.9 t80 -61.19 -47.28 86.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.717 177.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.554 HD23 ' HB1' ' A' 1219 ' ' ALA . 29.7 tp -68.38 -37.39 80.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -177.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' 1279 ' ' SER . 86.8 mt-10 -57.53 -43.73 84.56 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.041 0.448 . . . . 0.0 110.035 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . 0.564 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -68.45 -36.13 78.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.814 177.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . 0.427 ' HA3' HD21 ' A' 1305 ' ' LEU . . . -63.62 -45.33 94.84 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.372 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' 1282 ' ' LEU . 33.1 t -69.88 -28.67 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.126 0.489 . . . . 0.0 109.957 177.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . 0.604 ' HB2' ' HG2' ' A' 1229 ' ' PRO . 42.2 tt0 -59.73 -41.83 91.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.775 173.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.421 ' O ' ' HG3' ' A' 1291 ' ' GLN . 83.4 mmm -59.29 -47.4 85.52 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.489 174.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -58.66 -37.3 75.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.253 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -70.23 -39.51 71.58 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.862 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' 1288 ' ' MET . 0.0 OUTLIER -82.62 -13.49 56.41 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.629 -0.336 . . . . 0.0 111.448 -176.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -59.44 129.26 86.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.165 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.44 -64.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.861 2.374 . . . . 0.0 112.708 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 16.4 m -89.95 144.56 25.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.384 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . 0.606 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 53.7 mt-30 -74.75 -11.41 60.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.358 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.26 -38.51 65.94 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 173.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -72.75 -36.15 67.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.606 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 34.2 ttt180 -62.2 -45.72 92.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.225 175.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.77 81.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.595 176.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -61.92 -51.49 67.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.323 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.602 ' O ' ' HG ' ' A' 1305 ' ' LEU . 13.1 p -64.15 -35.15 72.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.944 -177.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.521 ' HA ' HD12 ' A' 1305 ' ' LEU . 62.9 t -69.25 -36.68 73.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.911 0.386 . . . . 0.0 110.893 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 50.3 m -62.21 -38.42 89.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.54 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . 0.696 ' HB2' HD23 ' A' 1349 ' ' LEU . 40.0 m-20 -64.1 -43.02 96.64 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.248 0.547 . . . . 0.0 109.581 175.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.5 mt -57.54 -49.69 75.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.939 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -59.39 -45.64 90.9 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.27 -48.52 63.67 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.273 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' 1308 ' ' ILE . 0.1 OUTLIER -73.73 -36.64 47.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.903 0.352 . . . . 0.0 110.274 -179.266 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 48.8 m -63.35 -42.26 98.9 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . 0.489 ' O ' ' HG3' ' A' 1314 ' ' LYS . 26.2 ptt? -72.11 -36.93 69.57 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.204 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 48.0 m -67.8 -41.46 83.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.997 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 29.6 p -64.53 -39.68 94.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.457 0.646 . . . . 0.0 109.937 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.544 ' O ' ' HG ' ' A' 1317 ' ' LEU . 64.6 m -61.34 -50.98 70.73 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.925 176.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' 1317 ' ' LEU . 57.2 mttm -63.74 -29.78 70.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.813 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' 1339 ' ' ALA . 35.3 tp -67.12 -50.63 60.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.698 175.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.596 ' HB2' HD21 ' A' 1213 ' ' LEU . 87.9 mt -64.66 -26.96 68.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.477 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 1313 ' ' SER . 92.1 mt -58.33 -38.53 77.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.702 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -74.9 -34.16 62.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.44 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.73 -40.17 96.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.829 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . 0.563 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 27.8 mtmt -63.34 -44.28 95.31 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.219 0.533 . . . . 0.0 110.872 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.31 93.34 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.721 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.703 HD23 HD21 ' A' 1267 ' ' LEU . 33.1 tp -75.19 -23.67 57.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.706 -176.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 9.1 p -79.75 -14.51 58.68 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.125 -0.359 . . . . 0.0 111.173 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 12.1 t -106.95 -22.02 12.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.93 0.395 . . . . 0.0 110.056 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 8.5 t0 -135.98 86.89 25.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -86.16 0.87 8.07 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 122.441 2.094 . . . . 0.0 112.667 -178.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -89.15 -35.2 16.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.285 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . 0.471 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 49.7 m -64.45 113.14 9.48 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.052 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . 0.616 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 10.9 Cg_exo -71.3 -29.28 17.26 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.175 2.583 . . . . 0.0 112.78 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.18 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 111.018 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.03 -28.41 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.717 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.616 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 2.7 mptp? -66.99 -51.67 52.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 2.3 m -61.75 -42.92 99.6 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.73 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.03 -38.95 92.55 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.946 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . 0.58 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.0 tt -66.7 -49.22 66.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.21 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.98 76.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -68.92 -33.9 74.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' 1342 ' ' VAL . . . -73.65 -39.79 64.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.694 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . 0.48 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -62.62 -37.2 85.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.153 0.501 . . . . 0.0 110.334 177.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -60.61 -39.96 90.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.596 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.7 90.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.768 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' 1346 ' ' ILE . 95.5 t -60.75 -50.9 78.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.774 178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 62.2 m -52.41 -45.39 65.89 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.359 0.412 . . . . 0.0 111.524 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.74 -51.99 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.384 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 5.8 p -66.82 -31.15 71.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.085 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.576 ' O ' HG12 ' A' 1350 ' ' ILE . 74.3 mt -59.21 -50.49 79.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 175.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -71.33 -29.12 64.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.779 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -62.33 -38.46 89.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.265 0.555 . . . . 0.0 110.053 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.696 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.4 tm? -70.91 -42.53 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.394 176.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' 1346 ' ' ILE . 35.9 mm -65.6 -27.15 40.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.35 -178.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 62.0 m -60.85 -30.59 70.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.265 0.555 . . . . 0.0 110.508 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . 0.434 ' HG2' ' HB ' ' A' 1301 ' ' VAL . 45.4 tpp -78.4 -34.33 48.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.512 177.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . 0.805 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 37.3 t -76.43 -59.13 2.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.687 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 30.6 m -121.56 110.66 16.28 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.22 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.47 141.8 58.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.106 0.479 . . . . 0.0 111.211 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -82.83 123.61 29.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.052 -175.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.145 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.699 176.586 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.897 0 N-CA-C 111.921 -0.472 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 32.4 pt -68.67 -35.8 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.95 0.405 . . . . 0.0 110.022 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' 1203 ' ' PRO . 7.3 p-10 -86.72 132.15 43.22 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . 0.554 ' O ' ' HG3' ' A' 1207 ' ' ARG . 27.5 Cg_exo -62.1 121.94 10.2 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.778 2.319 . . . . 0.0 112.85 -175.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . 0.419 ' O ' ' HB ' ' A' 1205 ' ' THR . 43.4 t80 -138.21 155.5 48.61 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.606 -0.886 . . . . 0.0 108.606 174.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' 1204 ' ' PHE . 71.1 m 75.0 -52.36 0.67 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 122.785 0.434 . . . . 0.0 110.969 -177.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -65.48 -29.32 69.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.085 0.469 . . . . 0.0 110.347 172.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' 1203 ' ' PRO . 1.5 mmp_? -68.87 -27.9 66.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.703 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.5 -41.16 84.71 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.595 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.527 ' HB ' ' CD ' ' A' 1320 ' ' LYS . 2.3 m -83.98 -26.7 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.798 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -80.84 -53.86 6.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.787 0.327 . . . . 0.0 111.122 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -65.58 -27.08 68.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -57.9 -34.88 70.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.032 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 39.4 mt -72.15 -34.93 68.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -75.69 -35.4 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.383 175.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -56.95 -47.58 80.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.982 0.42 . . . . 0.0 110.488 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.566 HG13 ' CE2' ' A' 1278 ' ' PHE . 96.9 t -68.67 -39.02 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.347 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.69 -54.32 32.17 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.946 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . 0.541 ' HA ' ' HE2' ' A' 1221 ' ' LYS . 52.2 m-20 -54.71 -46.99 74.28 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.705 0.288 . . . . 0.0 110.995 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . 0.454 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -60.78 -47.78 84.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . 0.514 ' HA ' HD23 ' A' 1224 ' ' LEU . 11.7 p -68.32 -39.13 82.08 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.691 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' 1218 ' ' ASP . 44.5 mtmt -62.09 -38.25 88.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.75 0.31 . . . . 0.0 110.954 179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -77.2 -60.16 2.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.36 0.6 . . . . 0.0 110.794 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.72 ' HB3' HG21 ' A' 1286 ' ' VAL . 85.0 mt -65.8 -44.34 85.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.916 -168.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' 1220 ' ' SER . 4.1 mm? -73.6 3.15 6.66 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.12 0.486 . . . . 0.0 111.848 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 31.6 m -103.35 15.44 29.1 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 172.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 24.1 t70 62.08 62.26 1.23 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.562 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 93.2 mt -124.56 105.78 9.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.731 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . 0.89 HD22 ' HA ' ' A' 1287 ' ' GLU . 41.6 mt -99.72 140.19 21.39 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.044 -177.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' A' 1230 ' ' PRO . 71.6 Cg_exo -52.37 140.03 53.92 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.828 2.352 . . . . 0.0 111.96 177.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 36.7 Cg_exo -57.19 108.86 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.127 2.552 . . . . 0.0 112.963 -175.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 19.7 t 50.87 76.67 0.15 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.357 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 7.9 m -152.13 148.52 27.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.043 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . 0.563 ' HA2' ' HB3' ' A' 1237 ' ' GLU . . . 59.8 67.2 2.27 Favored Glycine 0 N--CA 1.452 -0.282 0 O-C-N 123.519 0.512 . . . . 0.0 113.387 173.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 4.8 m -70.96 84.51 0.68 Allowed 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 120.743 0.306 . . . . 0.0 111.007 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 4.1 m-85 65.83 -90.74 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.965 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -65.32 -39.21 92.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.799 -0.182 . . . . 0.0 110.873 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . 0.563 ' HB3' ' HA2' ' A' 1233 ' ' GLY . 3.2 tm-20 -54.68 -46.36 74.08 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.07 -44.03 81.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.742 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -64.41 -52.96 55.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.424 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 28.4 m -60.49 -30.79 69.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.039 0.447 . . . . 0.0 110.549 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -74.59 -33.96 62.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.378 0.608 . . . . 0.0 109.585 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . 0.45 HD21 ' CD1' ' A' 1349 ' ' LEU . 28.7 tp -66.15 -39.34 89.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.126 176.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -56.54 -44.53 80.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.975 0.417 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.18 -39.61 93.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.069 177.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . 0.587 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -66.43 -36.91 83.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.115 -179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.17 -52.66 64.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.24 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.27 74.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.203 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.18 -49.24 41.29 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.1 tp -69.86 -29.31 66.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.568 0.223 . . . . 0.0 111.0 -176.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -56.71 -46.1 81.45 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.949 0.404 . . . . 0.0 110.307 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' 1255 ' ' GLU . 24.1 tt0 -75.48 -31.71 60.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.371 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.68 87.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.83 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.62 81.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.152 0.501 . . . . 0.0 110.184 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 92.9 m -65.83 -33.91 76.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.079 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' 1251 ' ' GLN . 35.9 mm-40 -58.81 -40.03 82.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.014 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.783 ' HB3' HD21 ' A' 1335 ' ' LEU . 17.2 mt -64.25 -37.02 86.0 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.603 176.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 48.5 t -64.5 -48.5 84.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.985 0.421 . . . . 0.0 110.403 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -64.71 -33.99 77.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.598 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.38 89.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.919 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . 0.673 ' HB3' ' HG3' ' A' 1332 ' ' LYS . 41.4 m -65.59 -23.58 66.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.326 0.584 . . . . 0.0 110.718 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -97.23 7.6 46.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.459 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -122.9 -97.98 1.37 Allowed Glycine 0 N--CA 1.437 -1.275 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.613 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' 1264 ' ' PRO . 16.8 p -133.42 158.38 75.78 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.648 0.261 . . . . 0.0 111.081 -174.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . 0.435 ' HA ' HD12 ' A' 1267 ' ' LEU . 10.8 Cg_endo -57.1 -28.66 79.96 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.064 2.509 . . . . 0.0 112.163 174.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -78.04 -28.52 49.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.205 -175.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.75 -42.42 95.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.512 HD11 HD22 ' A' 1322 ' ' LEU . 66.6 mt -58.82 -36.25 74.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.308 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -63.79 -55.28 24.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.712 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -60.05 -41.52 92.5 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.853 0.359 . . . . 0.0 110.449 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.4 83.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.096 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 2.5 m -58.53 -48.31 81.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.359 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.68 -40.0 98.11 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.859 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -65.7 -53.55 39.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.723 0.297 . . . . 0.0 110.58 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -58.19 -45.58 87.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.196 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.79 -42.19 98.61 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.483 -179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -69.72 -44.25 70.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.075 0.464 . . . . 0.0 110.851 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 6.8 t70 -70.52 -33.63 71.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.655 -175.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.566 ' CE2' HG13 ' A' 1216 ' ' VAL . 86.7 t80 -57.74 -36.16 71.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.044 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 18.0 m -60.08 -43.95 95.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.402 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 7.0 m -62.87 -35.23 79.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.829 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . 0.587 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 76.0 t80 -76.12 -55.01 5.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.332 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' 1286 ' ' VAL . 33.4 tp -60.7 -46.43 90.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.439 -172.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . 0.489 ' HG2' HD11 ' A' 1223 ' ' LEU . 44.9 mt-10 -58.85 -42.68 89.9 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.257 -0.177 . . . . 0.0 111.044 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.15 89.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.94 0.4 . . . . 0.0 111.036 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . 0.421 ' HA2' HD22 ' A' 1242 ' ' LEU . . . -63.11 -46.44 93.29 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.453 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.72 HG21 ' HB3' ' A' 1223 ' ' LEU . 42.5 t -68.58 -35.97 72.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.792 0.33 . . . . 0.0 110.701 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . 0.89 ' HA ' HD22 ' A' 1228 ' ' LEU . 37.9 tt0 -58.96 -52.98 63.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.788 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' 1288 ' ' MET . 19.8 ptm -67.62 -26.64 66.34 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.721 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.84 93.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.989 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . 0.798 ' HA3' HD11 ' A' 1228 ' ' LEU . . . -72.11 -20.63 79.14 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.026 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' 1287 ' ' GLU . 14.8 mm100 -83.76 -6.27 59.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.78 0.324 . . . . 0.0 110.813 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -64.0 121.87 73.98 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.274 178.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 25.6 Cg_exo -64.05 -58.76 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 123.009 2.472 . . . . 0.0 113.065 -176.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . 0.477 ' HB2' ' OD1' ' A' 1297 ' ' ASP . 21.0 m -78.0 148.81 34.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.519 -174.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -62.34 -52.61 62.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.722 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -63.61 -38.79 92.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . 0.477 ' OD1' ' HB2' ' A' 1294 ' ' SER . 4.9 m-20 -61.22 -45.04 96.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.095 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' 1302 ' ' VAL . 42.1 ttt180 -63.25 -45.98 89.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.674 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -67.01 -35.09 79.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.764 0.316 . . . . 0.0 111.266 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -65.82 -45.37 82.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.581 ' O ' ' HG ' ' A' 1305 ' ' LEU . 7.5 p -68.93 -33.12 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.111 -178.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.576 ' HA ' HD12 ' A' 1305 ' ' LEU . 85.4 t -69.58 -33.79 58.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.2 p -64.93 -39.25 93.22 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.266 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . 0.802 ' HB2' HD23 ' A' 1349 ' ' LEU . 41.4 m-80 -62.39 -37.11 84.5 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.298 0.571 . . . . 0.0 109.904 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' 1301 ' ' VAL . 90.5 mt -61.03 -38.53 86.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.434 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -47.12 80.09 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -50.89 -48.07 46.02 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.715 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -37.93 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.249 -178.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 56.2 p -69.88 -37.55 76.07 Favored 'General case' 0 C--O 1.232 0.152 0 O-C-N 122.139 -0.35 . . . . 0.0 111.224 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . . . . . . . . . 89.0 mmm -70.68 -42.56 70.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.657 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . 0.631 ' HA ' ' HG2' ' A' 1314 ' ' LYS . 50.0 m -66.3 -35.4 80.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.121 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 5.7 p -69.95 -36.12 75.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.252 0.549 . . . . 0.0 110.039 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.406 ' O ' ' HG ' ' A' 1317 ' ' LEU . 70.6 m -61.0 -51.71 68.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.545 174.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.631 ' HG2' ' HA ' ' A' 1311 ' ' SER . 16.2 ptpt -72.07 -25.79 61.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.925 -176.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.574 HD22 ' HA ' ' A' 1339 ' ' ALA . 18.9 tp -63.05 -49.54 74.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 173.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.583 ' O ' ' HE2' ' A' 1320 ' ' LYS . 69.9 mt -61.88 -34.81 76.69 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.833 -177.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' 1313 ' ' SER . 92.9 mt -54.37 -42.29 70.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.0 110.67 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.77 88.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.593 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . 0.454 ' HA ' HD12 ' A' 1335 ' ' LEU . . . -60.83 -41.19 95.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.602 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . 0.583 ' HE2' ' O ' ' A' 1316 ' ' LEU . 43.4 mmtt -59.69 -52.43 65.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.32 93.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.56 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.963 ' HG ' ' HB3' ' A' 1331 ' ' LEU . 0.7 OUTLIER -72.21 -32.93 67.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.943 -176.22 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 60.9 p -70.2 -28.9 65.66 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.915 -0.491 . . . . 0.0 110.609 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 12.4 p -83.87 -34.65 24.54 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.869 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -132.49 94.92 21.38 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.931 0.395 . . . . 0.0 110.301 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . 0.597 ' HA ' HD23 ' A' 1322 ' ' LEU . 69.6 Cg_endo -91.67 18.13 1.23 Allowed 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 122.627 2.218 . . . . 0.0 112.047 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -101.11 -18.19 16.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.94 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.1 m -80.54 114.37 47.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.87 -31.49 47.52 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.581 2.187 . . . . 0.0 111.47 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 39.4 t30 -62.14 -34.73 76.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.109 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . 0.963 ' HB3' ' HG ' ' A' 1322 ' ' LEU . 6.9 mp -68.09 -41.05 82.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.673 ' HG3' ' HB3' ' A' 1260 ' ' SER . 2.3 mptm? -61.05 -48.74 80.38 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.697 0.284 . . . . 0.0 110.46 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 18.6 t -63.36 -38.62 91.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.169 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -59.92 -53.83 53.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.723 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . 0.783 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.6 tt -60.14 -48.47 81.59 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.536 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -57.53 -37.97 73.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.75 0.309 . . . . 0.0 111.624 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.17 -48.5 67.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.753 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.97 -35.48 78.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.092 -179.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . 0.574 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.84 -44.62 96.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.927 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . 0.85 ' HE ' ' HA ' ' A' 1340 ' ' ARG . 1.3 mmp_? -67.82 -32.51 73.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.299 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.4 99.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.33 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' 1338 ' ' ALA . 95.7 t -61.31 -51.65 70.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.2 176.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 33.9 m -56.76 -45.52 82.0 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -63.32 -41.7 98.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.823 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 21.1 m -65.85 -38.57 89.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.561 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.489 ' O ' HG12 ' A' 1350 ' ' ILE . 87.6 mt -59.24 -52.02 65.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.903 175.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -55.33 -50.07 70.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -59.55 -41.31 89.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.988 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.802 HD23 ' HB2' ' A' 1304 ' ' ASN . 2.7 tm? -63.86 -47.39 80.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' 1346 ' ' ILE . 39.8 mm -65.75 -42.57 92.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.877 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 41.3 m -61.01 -41.29 96.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 18.3 tpt -70.57 -32.23 69.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.432 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 69.4 m -83.87 -42.5 16.31 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 50.1 p -88.45 -19.35 26.62 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' 1356 ' ' GLN . 8.3 tp-100 -124.09 140.2 53.2 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.484 -176.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' 1355 ' ' GLN . 78.8 mt-30 72.62 2.84 4.5 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.954 0.784 . . . . 0.0 110.886 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.852 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 175.394 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.108 -0.397 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . 0.696 HD13 ' H ' ' A' 1201 ' ' ILE . 0.2 OUTLIER -109.22 155.1 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.291 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' 1206 ' ' GLN . 19.6 t70 -111.67 110.82 54.78 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -52.29 -36.73 69.18 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.487 2.791 . . . . 0.0 113.613 -174.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 88.3 t80 -78.44 -44.56 24.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.522 0.201 . . . . 0.0 110.847 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . 0.536 HG23 ' HB2' ' A' 1268 ' ' ALA . 78.9 m -59.43 -48.15 82.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.041 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' 1202 ' ' ASP . 13.5 pt20 -68.89 -29.86 68.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.92 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.06 -32.95 72.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -36.53 84.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.244 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.621 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 2.0 t -79.54 -35.77 17.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.992 0.425 . . . . 0.0 109.87 -177.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.73 -37.61 82.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.269 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 62.5 t30 -64.53 -39.92 94.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.07 176.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.19 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.5 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . 0.63 HD21 ' HB2' ' A' 1316 ' ' LEU . 46.7 mt -63.64 -35.37 80.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.073 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' 1214 ' ' ARG . 23.2 ttp85 -62.87 -39.1 93.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.049 177.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -69.91 -42.96 72.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.513 HG13 ' CE2' ' A' 1278 ' ' PHE . 96.5 t -64.23 -47.41 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.139 0.495 . . . . 0.0 110.323 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.56 -34.0 88.74 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.975 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.01 -47.43 83.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . 0.659 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -64.61 -37.41 87.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 40.9 t -61.56 -47.8 83.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.028 0.442 . . . . 0.0 110.224 175.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 24.1 tptm -65.59 -35.98 82.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.27 0.557 . . . . 0.0 110.91 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -76.3 -41.15 49.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.691 -174.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.871 ' HB3' HG21 ' A' 1286 ' ' VAL . 58.4 mt -107.15 -40.3 5.47 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -168.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 94.8 mt -86.69 29.28 0.8 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.174 0.512 . . . . 0.0 110.994 -174.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 9.9 p -88.57 9.05 25.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.61 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 31.9 t70 74.57 -35.93 0.31 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.808 0.843 . . . . 0.0 111.337 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 92.9 mt -69.89 100.31 1.54 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 173.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' 1229 ' ' PRO . 3.5 pp -86.76 149.15 47.65 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.456 -175.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' 1228 ' ' LEU . 11.1 Cg_exo -72.75 158.79 49.82 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.125 2.55 . . . . 0.0 111.501 174.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.2 110.93 0.67 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.616 2.211 . . . . 0.0 111.446 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . 0.555 ' HB2' ' HA3' ' A' 1290 ' ' GLY . 26.0 t -66.26 107.53 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.999 -175.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 10.1 t -103.11 -13.37 16.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.451 -0.795 . . . . 0.0 108.991 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . 0.408 ' HA2' ' CG ' ' A' 1237 ' ' GLU . . . -95.26 98.44 2.26 Favored Glycine 0 N--CA 1.441 -1.001 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.424 176.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.9 -169.19 1.22 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . 0.654 ' HA ' ' OE1' ' A' 1291 ' ' GLN . 28.8 m-85 -62.73 -15.63 53.89 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -167.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -110.89 -37.98 5.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.021 0.439 . . . . 0.0 110.262 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . 0.408 ' CG ' ' HA2' ' A' 1233 ' ' GLY . 20.0 tp10 -60.59 -48.39 82.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.013 178.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -75.64 -30.02 59.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.454 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' 1235 ' ' PHE . 5.0 tp-100 -58.68 -55.84 29.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.187 177.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 19.4 m -61.18 -38.07 85.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.476 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -65.96 -44.7 84.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.356 -175.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.17 -45.59 92.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.664 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -60.18 -47.61 85.23 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.705 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.13 -43.9 97.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.731 0.301 . . . . 0.0 111.228 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . 0.553 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -69.52 -36.29 76.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.136 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -58.35 -51.82 68.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.292 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.42 -32.89 72.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.023 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -67.76 -47.97 58.18 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.124 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . 0.476 HD12 ' HB3' ' A' 1252 ' ' ALA . 31.2 tp -69.65 -27.18 64.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.613 0.244 . . . . 0.0 110.854 -178.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -57.28 -43.87 83.49 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.856 0.36 . . . . 0.0 110.428 175.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.602 ' O ' ' HB ' ' A' 1254 ' ' THR . 44.4 tp60 -74.18 -35.43 63.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.601 178.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . 0.476 ' HB3' HD12 ' A' 1249 ' ' LEU . . . -61.16 -41.21 96.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.698 0.285 . . . . 0.0 110.921 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.66 -37.62 85.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.387 0.613 . . . . 0.0 109.787 173.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . 0.602 ' HB ' ' O ' ' A' 1251 ' ' GLN . 25.6 m -56.8 -39.83 74.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.303 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' 1251 ' ' GLN . 18.1 mm-40 -58.29 -41.12 83.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.123 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.537 ' HB3' HD21 ' A' 1335 ' ' LEU . 22.9 mt -64.22 -40.37 95.91 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.564 0.221 . . . . 0.0 110.596 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 44.8 t -60.57 -45.21 97.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.938 0.399 . . . . 0.0 110.425 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' 1254 ' ' THR . 25.6 mm-40 -65.45 -42.81 91.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.206 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -62.28 -32.66 73.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.364 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . . . . . . . . . 48.9 m -61.67 -28.62 69.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.183 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -102.28 13.86 33.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.272 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.47 -94.05 1.3 Allowed Glycine 0 N--CA 1.441 -1.019 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.936 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 14.3 p -136.85 156.15 76.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.455 0.169 . . . . 0.0 110.738 -174.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . 0.594 ' HA ' HD12 ' A' 1267 ' ' LEU . 24.2 Cg_exo -65.03 -26.87 58.03 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.581 2.187 . . . . 0.0 111.553 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -73.71 -38.19 64.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.56 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.37 -36.13 82.08 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' 1264 ' ' PRO . 55.1 mt -57.19 -50.71 71.99 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.818 173.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . 0.536 ' HB2' HG23 ' A' 1205 ' ' THR . . . -59.25 -45.11 92.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.122 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -63.82 -40.94 97.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.293 0.568 . . . . 0.0 110.2 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -65.41 -27.41 68.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.121 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . 0.496 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 19.8 m -62.21 -46.52 88.52 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.823 0.344 . . . . 0.0 110.618 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . 0.522 ' O ' ' HG2' ' A' 1276 ' ' GLN . . . -69.0 -43.76 71.1 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.159 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -61.72 -32.75 73.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.303 -0.448 . . . . 0.0 111.347 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . 0.436 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 92.2 t80 -76.22 -48.71 19.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.653 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.05 -41.11 99.67 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.184 -176.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' 1272 ' ' GLY . 3.6 pt20 -64.25 -45.14 89.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.059 0.456 . . . . 0.0 111.229 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 4.9 t70 -66.96 -38.18 85.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.376 -177.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' 1309 ' ' SER . 62.1 t80 -54.32 -42.18 69.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.342 178.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 7.6 t -60.15 -42.83 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 24.2 m -57.69 -40.95 80.63 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.842 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . 0.553 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 85.7 t80 -71.13 -51.54 24.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.268 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.659 HD23 ' HB1' ' A' 1219 ' ' ALA . 31.5 tp -62.2 -43.93 97.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.364 -174.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.31 -31.28 71.12 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.825 0.345 . . . . 0.0 111.051 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -72.43 -38.16 68.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . 0.469 ' O ' ' HG2' ' A' 1288 ' ' MET . . . -68.19 -32.99 77.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.137 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' 1223 ' ' LEU . 56.8 t -72.16 -26.28 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.121 0.486 . . . . 0.0 110.346 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -62.13 -43.53 98.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.817 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.751 ' O ' ' HG2' ' A' 1291 ' ' GLN . 17.2 ptm -76.72 -23.68 53.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.726 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . 0.458 ' HA ' HG11 ' A' 1301 ' ' VAL . . . -62.3 -24.89 67.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.233 0.54 . . . . 0.0 109.988 172.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . 0.555 ' HA3' ' HB2' ' A' 1231 ' ' SER . . . -76.63 -40.96 25.65 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.683 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.751 ' HG2' ' O ' ' A' 1288 ' ' MET . 25.2 pt20 -63.15 -24.4 67.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.702 0.251 . . . . 0.0 110.894 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -54.15 113.31 4.88 Favored Pre-proline 0 C--O 1.232 0.163 0 O-C-N 123.822 0.701 . . . . 0.0 111.434 -177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -77.03 -25.62 8.62 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.561 2.174 . . . . 0.0 112.148 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 13.9 m -114.79 145.87 41.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.751 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.79 -28.57 69.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.438 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -58.44 -45.58 88.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.29 -39.0 60.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 110.098 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.494 ' O ' HG23 ' A' 1302 ' ' VAL . 72.7 ttt180 -58.78 -51.53 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.728 178.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.24 -43.92 92.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.522 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -57.58 -53.32 59.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.441 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.614 ' O ' ' HG ' ' A' 1305 ' ' LEU . 14.5 p -64.84 -35.81 76.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.011 -176.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' 1298 ' ' ARG . 73.2 t -63.79 -42.26 95.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 120.429 0.157 . . . . 0.0 111.207 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.0 p -70.46 -28.0 64.66 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . 0.53 ' HB3' ' HG ' ' A' 1349 ' ' LEU . 80.5 m-20 -66.85 -46.5 74.83 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.413 0.625 . . . . 0.0 109.358 172.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' 1301 ' ' VAL . 87.3 mt -60.48 -42.95 97.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.453 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.388 173.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.73 -53.37 44.43 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.24 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . 0.519 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -72.05 -36.91 58.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.229 -177.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . 0.515 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 37.2 p -65.02 -45.63 84.71 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.754 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . 0.472 ' O ' ' HD3' ' A' 1314 ' ' LYS . 49.5 mtt -67.72 -39.27 84.32 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.886 178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 66.6 m -58.84 -41.29 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.895 0.378 . . . . 0.0 110.455 175.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 43.9 m -65.94 -38.87 89.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.467 0.651 . . . . 0.0 109.919 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.525 ' O ' ' HG ' ' A' 1317 ' ' LEU . 58.6 m -62.16 -51.59 67.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.683 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.604 ' HA ' HD12 ' A' 1317 ' ' LEU . 0.2 OUTLIER -61.46 -33.68 74.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.769 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 34.9 tp -61.83 -51.34 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.71 175.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.63 ' HB2' HD21 ' A' 1213 ' ' LEU . 99.4 mt -65.72 -30.1 70.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.067 -179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' 1314 ' ' LYS . 94.6 mt -59.1 -42.67 91.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.78 0.324 . . . . 0.0 110.342 175.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -68.71 -35.37 77.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.237 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.12 92.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.156 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . 0.621 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 46.6 mtmt -58.26 -50.78 72.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.263 0.554 . . . . 0.0 110.169 176.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.5 98.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.823 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.691 HD11 ' HD2' ' A' 1332 ' ' LYS . 28.0 tp -71.24 -31.39 67.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.728 -175.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 37.7 m -74.98 -19.97 59.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.979 0.419 . . . . 0.0 110.781 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 22.7 p -108.04 -4.12 18.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.139 0.495 . . . . 0.0 111.049 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -151.91 78.22 6.75 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.566 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -92.93 5.57 3.17 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.041 2.494 . . . . 0.0 114.198 -171.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -101.33 13.9 33.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 0.0 111.215 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 42.8 m -108.5 105.16 56.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.615 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.43 -37.84 96.16 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.307 2.671 . . . . 0.0 113.015 -177.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -76.64 -17.63 59.05 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.292 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 16.8 tp -73.02 -31.36 64.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.691 ' HD2' HD11 ' A' 1322 ' ' LEU . 1.9 mptp? -63.18 -47.82 80.99 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 170.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 15.1 m -61.62 -41.64 97.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.289 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -62.56 -44.98 94.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.615 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.3 tt -61.62 -45.76 92.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . 0.663 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -58.54 -41.3 85.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.772 178.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.33 91.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.867 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.63 -36.04 82.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.598 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.55 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . 0.663 ' HG2' ' O ' ' A' 1336 ' ' ALA . 28.3 mmt180 -68.43 -33.96 75.13 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.73 79.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.867 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' 1338 ' ' ALA . 95.0 t -62.88 -52.62 57.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 176.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 74.1 m -62.05 -38.44 88.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.675 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . 0.602 ' O ' ' HG2' ' A' 1348 ' ' GLN . 14.4 t70 -57.13 -50.62 72.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.809 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 17.5 m -64.56 -35.69 81.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.47 ' O ' HG12 ' A' 1350 ' ' ILE . 85.5 mt -59.89 -48.37 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -62.24 -40.94 97.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.062 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' 1344 ' ' ASP . 75.5 mm-40 -55.42 -35.96 65.95 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.612 178.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.53 ' HG ' ' HB3' ' A' 1304 ' ' ASN . 5.7 mt -69.82 -57.48 5.03 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.106 176.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.522 ' O ' HG22 ' A' 1354 ' ' THR . 48.8 mm -55.2 -43.03 68.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.467 -175.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . 0.547 HG23 ' NE2' ' A' 1356 ' ' GLN . 85.9 m -56.25 -39.18 72.18 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.556 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 25.3 mmt -81.02 -39.28 26.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.063 0.458 . . . . 0.0 110.908 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 60.0 m -75.51 -54.61 6.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.485 -172.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . 0.522 HG22 ' O ' ' A' 1350 ' ' ILE . 5.1 t -88.47 159.09 18.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.975 0.417 . . . . 0.0 110.664 -174.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -74.42 105.92 5.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.327 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . 0.547 ' NE2' HG23 ' A' 1351 ' ' THR . 7.9 tt0 -102.05 -30.72 11.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.016 0.436 . . . . 0.0 110.041 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.307 -179.549 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.481 -0.648 . . . . 0.0 111.481 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 64.9 mt -94.34 -49.55 12.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.264 0.554 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -129.27 123.37 21.54 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.94 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -82.58 176.16 8.13 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.769 2.313 . . . . 0.0 112.253 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -76.99 77.95 3.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.545 0.688 . . . . 0.0 110.102 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . 0.878 ' HA ' ' HB2' ' A' 1268 ' ' ALA . 60.2 m -149.01 -60.58 0.23 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.605 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.468 ' O ' HG22 ' A' 1209 ' ' VAL . 3.3 pt20 -80.92 -27.07 36.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.118 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -69.51 -41.89 75.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.323 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -63.88 -36.06 82.7 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.542 HG23 ' HD2' ' A' 1320 ' ' LYS . 29.7 m -72.4 -28.88 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.405 0.622 . . . . 0.0 110.009 -175.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.21 -38.99 21.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.695 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 52.0 t30 -64.83 -34.66 78.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.648 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.75 78.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.941 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.74 -33.64 76.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 110.778 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' 1214 ' ' ARG . 14.3 ttp180 -64.88 -37.38 87.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.096 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -67.12 -45.0 78.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.585 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.501 ' HA ' ' CE2' ' A' 1278 ' ' PHE . 95.9 t -63.84 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -68.48 -48.33 51.72 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.715 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -56.59 -52.06 66.26 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 122.348 0.259 . . . . 0.0 110.919 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . 0.499 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -56.82 -48.38 78.13 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.995 -177.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 25.0 t -60.36 -51.62 68.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.836 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -72.73 -38.26 67.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -174.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -73.11 -33.81 65.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.775 0.321 . . . . 0.0 111.123 -178.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.866 HD23 ' HG2' ' A' 1229 ' ' PRO . 90.7 mt -89.62 -62.83 1.39 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.636 -176.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' 1224 ' ' LEU . 1.2 pp -114.5 104.27 11.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.323 0.582 . . . . 0.0 111.511 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 44.1 t -173.55 -65.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.647 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -130.65 -72.56 0.56 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.013 0.435 . . . . 0.0 110.752 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 6.7 tt -96.01 118.58 32.89 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.284 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . 0.452 ' HA ' ' HD3' ' A' 1229 ' ' PRO . 4.2 pp -82.27 131.22 56.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 121.054 0.454 . . . . 0.0 110.906 -178.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.866 ' HG2' HD23 ' A' 1223 ' ' LEU . 18.5 Cg_exo -69.3 174.25 9.39 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 123.149 2.566 . . . . 0.0 110.979 174.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -46.95 110.28 0.28 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.78 2.32 . . . . 0.0 112.261 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . 0.417 ' O ' ' HA3' ' A' 1290 ' ' GLY . 12.7 m -114.63 45.83 1.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.99 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 4.6 m -85.97 -0.36 55.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.935 -174.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -58.38 119.18 16.07 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.54 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 21.1 p -86.63 -178.83 6.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.892 0.377 . . . . 0.0 111.48 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . 0.539 ' HA ' ' NE2' ' A' 1291 ' ' GLN . 38.4 p90 -61.09 -24.26 66.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.883 -176.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . 0.448 ' HG2' ' CE2' ' A' 1235 ' ' PHE . 15.6 mm100 -96.11 -34.76 11.58 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.732 175.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -66.2 -54.42 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.215 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -75.24 -40.67 58.79 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -174.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.62 -50.31 65.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.36 -177.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 20.2 m -66.27 -40.33 90.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.639 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -66.14 -38.47 88.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.875 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . 0.536 HD22 ' HB1' ' A' 1284 ' ' ALA . 1.9 mm? -54.77 -39.81 68.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.162 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . 0.416 HD21 HG21 ' A' 1354 ' ' THR . 25.9 m-80 -70.36 -46.35 64.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -175.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -47.48 81.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.069 178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -65.48 -36.88 85.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.85 90.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.094 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.5 97.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.324 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.63 -38.54 96.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.214 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . 0.462 HD21 HD11 ' A' 1308 ' ' ILE . 29.9 tp -77.33 -32.96 55.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.681 0.277 . . . . 0.0 110.585 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -57.7 -51.98 67.33 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.454 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' A' 1255 ' ' GLU . 21.6 tt0 -66.56 -32.91 74.55 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.635 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -58.75 -41.56 86.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.946 0.403 . . . . 0.0 110.719 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.41 90.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.207 0.527 . . . . 0.0 110.063 175.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 78.1 m -59.19 -44.26 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.034 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' 1251 ' ' GLN . 43.3 mt-10 -65.02 -35.29 80.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.654 ' HB3' HD21 ' A' 1335 ' ' LEU . 13.7 mt -59.88 -43.13 94.91 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.687 0.279 . . . . 0.0 110.349 173.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 74.2 t -61.77 -43.62 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.724 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . 0.451 ' HA ' ' OE1' ' A' 1258 ' ' GLN . 12.8 mm-40 -66.05 -45.97 79.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.604 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.13 74.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.109 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . . . . . . . . . 70.9 m -52.93 -38.97 62.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.966 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -107.32 25.21 11.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.653 0.263 . . . . 0.0 111.315 -175.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.44 -83.36 0.61 Allowed Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 177.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 55.7 p -139.83 144.86 40.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . 0.559 ' HA ' HD23 ' A' 1267 ' ' LEU . 49.8 Cg_exo -57.45 -30.4 87.97 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.622 2.215 . . . . 0.0 111.841 175.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -69.2 -31.24 69.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.019 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.76 -33.83 74.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.471 -177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' 1264 ' ' PRO . 3.7 mm? -53.0 -39.6 63.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.454 174.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . 0.878 ' HB2' ' HA ' ' A' 1205 ' ' THR . . . -64.37 -45.98 85.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.967 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -57.99 -44.12 86.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.429 0.633 . . . . 0.0 109.503 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -67.82 -39.33 83.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.836 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . 0.412 ' OG ' HG12 ' A' 1209 ' ' VAL . 49.8 m -62.19 -43.32 99.09 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.555 -177.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.57 -44.98 96.35 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.155 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -65.69 -49.54 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.703 0.287 . . . . 0.0 111.136 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . 0.626 ' CZ ' HD23 ' A' 1315 ' ' LEU . 39.7 t80 -58.05 -40.65 81.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.258 -175.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -73.57 -34.23 57.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.446 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -73.51 -51.92 15.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.632 0.253 . . . . 0.0 111.206 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -63.76 -26.79 68.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.871 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.642 ' CE1' ' HA ' ' A' 1309 ' ' SER . 84.4 t80 -58.09 -50.15 74.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.358 175.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 10.7 m -56.35 -46.9 79.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.495 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 11.2 m -57.4 -46.17 83.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.005 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 91.0 t80 -66.88 -46.26 75.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.499 HD23 ' HB1' ' A' 1219 ' ' ALA . 23.0 tp -66.35 -38.53 87.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -176.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . 0.445 ' HG2' HD21 ' A' 1223 ' ' LEU . 48.4 mt-10 -62.95 -38.65 91.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.813 0.34 . . . . 0.0 110.688 176.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . 0.536 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -66.77 -33.9 76.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.103 176.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.38 -39.92 97.92 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.686 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.772 HG21 ' HB3' ' A' 1223 ' ' LEU . 47.1 t -67.32 -39.15 82.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.05 0.453 . . . . 0.0 110.019 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.34 -47.59 81.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.945 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.67 ' O ' ' HG2' ' A' 1291 ' ' GLN . 5.0 ptm -73.87 -24.97 59.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.183 0.516 . . . . 0.0 110.508 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . 0.734 ' HB1' ' HG3' ' A' 1298 ' ' ARG . . . -70.65 -8.15 49.69 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.401 0.62 . . . . 0.0 109.899 173.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' 1231 ' ' SER . . . -88.89 -35.89 8.05 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.103 174.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' 1288 ' ' MET . 20.8 pt20 -70.66 -20.91 62.66 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -59.42 117.21 20.31 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.273 176.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.0 Cg_exo -72.88 -16.8 25.91 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.984 2.456 . . . . 0.0 112.449 -175.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 19.2 m -121.59 142.66 49.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.25 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -66.7 -40.18 88.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.998 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.9 -40.24 94.78 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -59.43 -41.25 89.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.835 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.734 ' HG3' ' HB1' ' A' 1289 ' ' ALA . 12.7 ttp180 -64.71 -37.88 89.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.622 176.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -62.17 -37.8 86.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.977 0.417 . . . . 0.0 110.366 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -59.79 -51.78 68.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.249 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.593 ' O ' ' HG ' ' A' 1305 ' ' LEU . 6.9 p -67.54 -35.46 73.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.195 -177.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' 1298 ' ' ARG . 53.0 t -61.76 -39.83 84.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.721 0.296 . . . . 0.0 110.877 177.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 43.9 t -63.03 -41.15 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.777 0.322 . . . . 0.0 110.353 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . 0.523 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 34.7 m-20 -62.03 -39.8 93.54 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.334 0.588 . . . . 0.0 109.647 177.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.3 mt -64.57 -38.87 92.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.627 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -61.42 -38.41 87.03 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.59 -52.32 51.06 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.047 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . 0.462 HD11 HD21 ' A' 1249 ' ' LEU . 0.0 OUTLIER -71.62 -35.34 55.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.859 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . 0.642 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 66.3 m -60.9 -49.87 75.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.929 0.395 . . . . 0.0 110.827 177.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . 0.406 ' O ' ' HG3' ' A' 1314 ' ' LYS . 9.3 mmt -62.22 -46.28 89.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.866 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . 0.413 ' C ' HG22 ' A' 1342 ' ' VAL . 42.0 m -59.49 -41.26 89.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.636 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 39.0 t -63.32 -49.34 74.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.398 0.618 . . . . 0.0 110.014 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.412 ' O ' ' HG ' ' A' 1317 ' ' LEU . 42.2 t -52.09 -52.61 50.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.212 177.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' 1317 ' ' LEU . 62.5 mttm -73.52 -24.78 60.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.562 -174.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.626 HD23 ' CZ ' ' A' 1274 ' ' PHE . 38.0 tp -66.28 -42.96 87.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.138 0.494 . . . . 0.0 109.668 173.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.08 -33.8 76.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.729 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' 1314 ' ' LYS . 90.6 mt -59.36 -30.64 68.54 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.718 177.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.95 -40.99 75.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.214 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.99 76.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . 0.542 ' HD2' HG23 ' A' 1209 ' ' VAL . 19.0 mmmt -51.12 -56.34 13.22 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.547 175.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -73.12 -32.35 64.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.035 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' 1332 ' ' LYS . 30.4 tp -68.01 -24.19 65.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.196 -177.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 16.5 t -74.82 -41.06 60.64 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 5.5 m -69.84 -46.05 66.43 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.211 178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -119.56 91.31 44.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -92.43 6.84 3.18 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 122.824 2.349 . . . . 0.0 113.077 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -107.0 7.91 30.12 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 5.0 p -105.92 108.15 61.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.768 0.318 . . . . 0.0 111.169 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -56.98 -35.62 98.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.887 2.391 . . . . 0.0 112.448 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 10.2 t30 -67.93 -29.39 68.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.847 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' 1331 ' ' LEU . 14.5 tp -70.84 -34.75 71.99 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.587 ' HD2' HD11 ' A' 1322 ' ' LEU . 3.1 mptp? -64.04 -46.15 85.69 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.349 0.595 . . . . 0.0 109.495 172.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 23.1 t -63.32 -39.06 93.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.807 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -64.23 -37.86 88.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.671 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . 0.654 HD21 ' HB3' ' A' 1256 ' ' LEU . 10.2 tt -67.56 -47.15 70.63 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . 0.618 ' O ' ' HD3' ' A' 1340 ' ' ARG . . . -56.98 -40.13 75.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.993 178.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -63.74 -43.49 96.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.709 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.72 -33.53 75.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.857 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . 0.532 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.96 -36.92 82.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . 0.618 ' HD3' ' O ' ' A' 1336 ' ' ALA . 6.4 mpt_? -65.74 -36.83 84.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.234 176.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.02 91.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.764 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' 1346 ' ' ILE . 48.4 t -64.23 -52.21 58.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.334 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.7 m -60.84 -33.77 73.55 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.773 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -58.11 -58.2 9.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.339 176.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . 0.443 ' CB ' ' HB ' ' A' 1308 ' ' ILE . 51.1 m -60.34 -35.29 75.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.396 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.546 ' O ' HG12 ' A' 1350 ' ' ILE . 93.2 mt -62.31 -55.45 23.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 3.1 p30 -75.71 -29.19 58.88 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.292 -172.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -71.75 -35.08 70.0 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.65 178.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.97 -47.13 87.09 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' 1346 ' ' ILE . 35.1 mm -64.39 -36.97 78.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.953 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 92.8 m -62.58 -42.13 99.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.795 0.331 . . . . 0.0 111.064 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 86.6 mtp -72.28 -49.9 31.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.057 0.456 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 70.1 m -75.46 -46.18 34.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.366 -173.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . 0.416 HG21 HD21 ' A' 1243 ' ' ASN . 4.4 m -87.74 24.71 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.596 0.712 . . . . 0.0 110.915 -176.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -76.79 -13.55 60.01 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -59.46 119.25 7.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.716 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.688 178.651 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 7.3 tp -136.14 -32.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.909 0.355 . . . . 0.0 110.831 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -115.12 113.64 43.74 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.32 -32.83 94.9 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.032 2.488 . . . . 0.0 112.581 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 65.99 -177.07 0.19 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.624 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . . . . . . . . . 2.8 m 64.82 27.34 12.95 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.338 0.59 . . . . 0.0 111.032 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.521 ' O ' HG22 ' A' 1209 ' ' VAL . 10.0 pt20 -174.5 -44.5 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.805 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -69.79 -18.13 63.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.485 0.66 . . . . 0.0 109.839 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.23 -46.44 54.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.653 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' 1206 ' ' GLN . 29.2 m -63.9 -30.05 48.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 121.062 0.458 . . . . 0.0 110.818 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.81 -41.67 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.158 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.36 -36.8 81.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.228 175.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' 1216 ' ' VAL . . . -59.25 -49.32 78.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.27 176.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . 0.495 HD21 ' HB2' ' A' 1316 ' ' LEU . 33.2 mt -64.16 -38.85 92.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.755 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -57.85 -45.91 85.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.232 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.76 79.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 178.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' 1212 ' ' ALA . 96.6 t -58.92 -42.66 86.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.795 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.29 -46.79 92.13 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.42 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -64.45 -43.49 94.12 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.667 0.27 . . . . 0.0 110.63 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . 0.661 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -62.18 -50.96 69.73 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.608 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . 0.401 ' O ' HD23 ' A' 1224 ' ' LEU . 41.6 m -62.29 -40.92 97.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.837 0.351 . . . . 0.0 111.178 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 83.8 tttt -67.72 -45.22 75.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.056 0.455 . . . . 0.0 110.846 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 37.8 ttp-105 -78.29 -50.36 11.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.742 -176.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.516 ' O ' HG21 ' A' 1286 ' ' VAL . 97.2 mt -81.25 -10.78 59.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -168.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . 0.463 HD22 ' HA ' ' A' 1224 ' ' LEU . 0.5 OUTLIER -56.87 -26.74 59.29 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.209 0.528 . . . . 0.0 109.863 170.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 50.0 m 70.22 98.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.288 171.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 27.4 t70 -73.63 -25.0 60.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.499 170.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 87.7 mt -109.5 -167.13 1.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.377 -1.283 . . . . 0.0 109.691 176.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 95.4 mt -99.15 126.42 38.11 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.638 0.256 . . . . 0.0 110.631 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.5 ' HA ' ' HD3' ' A' 1230 ' ' PRO . 31.7 Cg_exo -61.49 126.08 18.34 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.75 2.3 . . . . 0.0 111.59 176.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 25.8 Cg_exo -63.06 155.14 62.77 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.127 2.551 . . . . 0.0 112.607 -176.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . 0.579 ' HA ' HE22 ' A' 1291 ' ' GLN . 20.0 m -77.27 84.47 3.72 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.788 178.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 20.6 m -71.04 -22.56 62.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.785 0.802 . . . . 0.0 109.381 173.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -172.03 174.44 45.34 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.59 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 28.0 p -68.32 166.99 15.4 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.803 0.302 . . . . 0.0 110.257 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 42.6 p90 -62.26 -29.81 70.67 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.494 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -70.41 -42.17 72.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.422 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.18 -42.72 99.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.965 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.53 71.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.008 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -63.1 -46.34 87.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 32.5 p -65.65 -36.73 84.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.003 0.43 . . . . 0.0 110.337 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 17.2 ttp-105 -69.11 -40.91 78.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.419 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . 0.549 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 37.0 tp -61.63 -44.17 97.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.156 174.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -57.98 -43.54 86.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.236 177.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.58 -48.04 79.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.29 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -63.89 -36.48 84.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.03 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -62.02 -49.14 77.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.559 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.23 -38.69 80.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.436 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.39 -47.88 74.62 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.21 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' 1252 ' ' ALA . 33.6 tp -69.48 -32.66 71.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.654 0.264 . . . . 0.0 110.823 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . 0.409 ' OD1' HG23 ' A' 1343 ' ' THR . 64.3 m-20 -57.69 -44.73 86.02 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.054 0.454 . . . . 0.0 109.986 173.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' A' 1255 ' ' GLU . 24.4 tt0 -69.62 -37.21 76.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.24 177.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . 0.847 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -58.32 -44.46 88.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.946 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' 1257 ' ' VAL . . . -64.69 -39.19 93.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.946 175.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' 1251 ' ' GLN . 98.9 m -58.56 -46.82 86.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.805 176.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' 1251 ' ' GLN . 10.3 mm-40 -55.28 -47.77 75.03 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.384 176.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.555 ' HA ' ' HB1' ' A' 1270 ' ' ALA . 19.0 tp -62.14 -44.56 96.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.571 -178.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' 1253 ' ' ALA . 98.9 t -57.24 -51.92 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 120.671 0.272 . . . . 0.0 111.007 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.81 -44.4 96.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.958 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -66.7 -36.5 82.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.86 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . . . . . . . . . 48.7 m -68.29 -19.4 64.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.065 0.46 . . . . 0.0 111.536 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -101.7 11.74 38.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.086 0.469 . . . . 0.0 109.908 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -123.14 -93.53 1.11 Allowed Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.111 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 15.5 p -133.21 155.16 81.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.539 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -57.13 -33.45 95.86 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.232 2.622 . . . . 0.0 112.077 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -70.88 -42.8 69.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.049 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -70.81 -36.96 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 63.5 tp -55.47 -42.42 74.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.759 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.04 75.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -58.82 -41.31 86.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 109.851 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . 0.555 ' HB1' ' HA ' ' A' 1256 ' ' LEU . . . -63.73 -35.59 81.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.445 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 22.2 m -61.88 -47.7 83.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.408 177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -66.42 -37.58 92.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.638 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . 0.459 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 12.4 tpp180 -55.51 -57.84 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 110.732 174.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . 0.847 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 71.9 t80 -60.92 -45.92 92.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.525 -174.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.57 -34.29 89.07 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.516 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . 0.427 HE21 ' HB3' ' A' 1276 ' ' GLN . 1.0 OUTLIER -70.24 -50.59 38.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.736 0.303 . . . . 0.0 110.603 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.25 -32.28 73.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.17 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.628 ' HE1' ' HA ' ' A' 1309 ' ' SER . 81.7 t80 -59.97 -46.12 90.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.802 176.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . 0.524 ' O ' ' HG3' ' A' 1283 ' ' GLU . 22.8 t -58.05 -49.67 76.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.21 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 23.3 m -59.42 -42.41 91.76 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.029 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . 0.551 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 76.9 t80 -62.2 -48.76 78.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.855 178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.661 HD23 ' HB1' ' A' 1219 ' ' ALA . 24.2 tp -64.29 -38.94 92.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.987 -176.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' 1279 ' ' SER . 44.1 mt-10 -60.53 -41.2 93.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.7 0.286 . . . . 0.0 110.898 178.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -75.91 -38.63 57.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.957 0.408 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.11 -46.84 93.17 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.556 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.516 HG21 ' O ' ' A' 1223 ' ' LEU . 7.6 p -74.1 -24.04 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 122.575 -0.368 . . . . 0.0 110.62 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' 1291 ' ' GLN . 38.6 tt0 -58.41 -49.78 76.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.137 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . . . . . . . . . 22.2 ptm -72.76 -26.86 61.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 110.414 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . 0.453 ' HA ' HG11 ' A' 1301 ' ' VAL . . . -65.11 -29.01 69.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -82.36 -10.27 83.81 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.318 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.579 HE22 ' HA ' ' A' 1231 ' ' SER . 46.9 mm-40 -93.22 -7.57 44.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 110.23 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -67.39 119.3 64.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.317 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -69.01 -31.9 22.83 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.916 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' A' 1297 ' ' ASP . 22.8 m -101.19 134.48 44.16 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.307 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.54 -39.53 88.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.113 0.482 . . . . 0.0 110.067 178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.96 -29.92 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.323 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . 0.48 ' HB2' ' HB2' ' A' 1294 ' ' SER . 11.8 t70 -74.7 -36.99 62.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.657 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' 1302 ' ' VAL . 50.2 ttt180 -64.75 -41.54 95.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.043 176.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -55.65 -35.7 66.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.033 0.444 . . . . 0.0 110.779 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . 0.446 ' HB3' ' O ' ' A' 1297 ' ' ASP . 27.4 tt0 -59.96 -50.62 73.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.83 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.509 ' HA ' ' ND2' ' A' 1304 ' ' ASN . 7.7 p -76.52 -30.44 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.998 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.513 ' HA ' HD12 ' A' 1305 ' ' LEU . 61.5 t -63.99 -35.19 72.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 120.758 0.313 . . . . 0.0 110.244 175.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 69.8 m -60.53 -41.88 95.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.946 0.403 . . . . 0.0 110.352 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . 0.686 ' HB3' ' HG ' ' A' 1349 ' ' LEU . 33.2 m-20 -63.93 -45.39 89.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.613 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.541 HD23 HD11 ' A' 1349 ' ' LEU . 93.2 mt -58.47 -51.38 70.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.025 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -58.57 -45.73 88.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.738 0.304 . . . . 0.0 110.711 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -55.07 -50.8 57.7 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.588 -178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . 0.462 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -74.28 -39.59 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.893 -178.249 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . 0.628 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 49.0 m -62.01 -50.16 73.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.63 0.252 . . . . 0.0 111.181 -178.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . . . . . . . . . 54.2 mtt -64.64 -40.03 94.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.885 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . 0.548 ' HA ' ' HD2' ' A' 1314 ' ' LYS . 51.4 m -63.46 -35.03 79.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.623 0.249 . . . . 0.0 110.839 178.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 62.2 m -65.5 -40.53 93.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.526 0.679 . . . . 0.0 110.135 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.573 ' O ' ' HG ' ' A' 1317 ' ' LEU . 45.5 t -59.99 -52.78 63.9 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.229 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.548 ' HD2' ' HA ' ' A' 1311 ' ' SER . 51.1 mttm -57.42 -39.86 77.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.109 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' 1339 ' ' ALA . 34.8 tp -59.45 -48.09 82.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.009 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.495 ' HB2' HD21 ' A' 1213 ' ' LEU . 96.2 mt -70.28 -26.73 63.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.484 -177.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' 1313 ' ' SER . 94.0 mt -59.51 -41.72 90.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.978 0.418 . . . . 0.0 109.912 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.03 -38.57 75.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.687 177.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.98 99.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -58.4 -47.98 82.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.348 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -66.96 -28.36 68.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.0 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' 1325 ' ' ASP . 28.8 tp -76.63 -26.28 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.306 -177.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 98.4 p -74.21 -23.85 59.25 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.382 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 11.2 t -95.14 -26.29 16.07 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . 0.447 ' O ' HD12 ' A' 1322 ' ' LEU . 12.0 t70 -134.02 90.69 25.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.304 175.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -91.01 19.69 1.08 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.755 2.303 . . . . 0.0 112.287 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -104.16 -45.39 4.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.738 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . 0.412 ' HA ' ' HD2' ' A' 1329 ' ' PRO . 42.4 m -59.16 113.41 6.83 Favored Pre-proline 0 CA--C 1.531 0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.985 -174.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' 1328 ' ' SER . 30.7 Cg_endo -64.66 -32.18 58.09 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.68 2.254 . . . . 0.0 111.746 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 46.8 t30 -60.51 -38.71 85.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.159 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 17.3 tp -68.27 -37.27 80.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.29 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.44 ' HD2' HD11 ' A' 1322 ' ' LEU . 5.0 mptp? -61.23 -50.04 74.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.963 0.411 . . . . 0.0 110.28 173.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 13.2 t -63.7 -39.2 93.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.832 -177.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -61.62 -47.78 83.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.83 0.348 . . . . 0.0 110.494 177.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.19 -47.71 84.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.937 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.39 -39.68 80.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.79 -42.84 80.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.023 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' 1342 ' ' VAL . . . -66.63 -39.09 88.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.764 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . 0.562 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.35 -42.18 98.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.671 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -62.44 -38.9 91.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.082 176.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.96 91.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.562 ' O ' HG13 ' A' 1346 ' ' ILE . 91.8 t -62.78 -52.43 59.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.076 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . 0.475 ' HA ' HD12 ' A' 1346 ' ' ILE . 79.3 m -60.17 -38.56 83.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.58 -42.96 89.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.805 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 18.5 m -73.92 -34.58 64.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.897 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' 1342 ' ' VAL . 95.3 mt -59.36 -54.86 28.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.817 0.342 . . . . 0.0 110.821 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 8.9 p30 -70.68 -28.37 64.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.278 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -60.64 -44.13 96.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.086 174.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.686 ' HG ' ' HB3' ' A' 1304 ' ' ASN . 2.3 tt -62.04 -48.33 80.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.549 ' CD1' ' HG ' ' A' 1242 ' ' LEU . 43.2 mm -61.37 -55.39 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.077 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 33.3 m -61.86 -38.54 88.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.917 -175.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 27.4 ttt -74.05 -33.82 63.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.772 0.32 . . . . 0.0 111.178 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . 0.488 ' SG ' HD23 ' A' 1349 ' ' LEU . 93.2 m -84.42 -27.14 27.79 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 10.7 t -77.8 -12.27 59.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.522 0.677 . . . . 0.0 109.83 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -79.51 102.39 8.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.528 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -86.54 -4.48 59.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.254 0.55 . . . . 0.0 110.009 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.448 -0.787 . . . . 0.0 110.085 174.795 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 112.039 -0.424 . . . . 0.0 112.039 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 8.2 tp -61.49 -29.82 46.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 120.811 0.339 . . . . 0.0 111.167 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -113.1 146.61 35.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.429 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.34 121.29 8.24 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.288 1.992 . . . . 0.0 110.953 173.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -97.94 83.43 3.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.033 0.444 . . . . 0.0 110.626 -176.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . 0.535 ' HA ' ' HB2' ' A' 1268 ' ' ALA . 31.3 m -110.26 -51.97 2.82 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.562 175.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.541 ' O ' HG22 ' A' 1209 ' ' VAL . 89.7 mt-30 -70.86 -28.64 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.521 177.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -56.29 -53.03 62.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.454 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.2 -24.06 64.9 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -173.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' 1206 ' ' GLN . 10.6 m -81.33 -29.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 119.806 -0.757 . . . . 0.0 109.493 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 20.3 t70 -82.64 -41.53 19.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.584 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -63.65 -38.17 90.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.827 178.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' 1216 ' ' VAL . . . -60.18 -45.63 92.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.191 176.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' 1316 ' ' LEU . 61.7 mt -61.95 -38.29 87.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.738 177.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . 0.451 ' HA ' ' NE ' ' A' 1214 ' ' ARG . 0.0 OUTLIER -59.79 -48.14 82.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.997 177.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.57 77.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.194 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.476 HG13 ' CE2' ' A' 1278 ' ' PHE . 89.9 t -63.15 -54.38 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.45 -43.83 96.14 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.975 -0.557 . . . . 0.0 113.033 -174.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.01 -46.58 77.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.715 0.293 . . . . 0.0 111.392 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.44 91.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.537 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . 0.595 ' HA ' HD21 ' A' 1282 ' ' LEU . 30.3 t -57.05 -38.17 72.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.059 -178.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 61.7 mttp -78.84 -52.02 8.91 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' 1222 ' ' ARG . 48.9 mtm105 -77.11 -31.95 56.19 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.487 ' HB3' HG21 ' A' 1286 ' ' VAL . 60.2 mt -71.06 -55.48 8.15 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.389 -177.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' 1224 ' ' LEU . 1.0 OUTLIER -94.5 63.99 3.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 122.095 0.95 . . . . 0.0 110.957 -177.134 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 28.7 t -167.53 -52.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.869 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -90.28 59.32 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.714 -178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . 0.51 ' HG ' ' N ' ' A' 1228 ' ' LEU . 45.5 tp 67.52 168.89 0.26 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 123.79 0.681 . . . . 0.0 111.344 177.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . 0.51 ' N ' ' HG ' ' A' 1227 ' ' LEU . 3.3 pp -70.84 159.57 84.96 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.071 175.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' 1228 ' ' LEU . 53.4 Cg_endo -69.95 130.89 19.88 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.201 1.934 . . . . 0.0 112.259 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 25.3 Cg_exo -63.06 107.52 0.65 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.59 2.194 . . . . 0.0 110.557 176.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 34.8 t -153.01 145.88 24.47 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.774 -171.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 18.9 m -80.93 84.91 6.31 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.986 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 168.8 -90.49 0.1 OUTLIER Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.95 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . 0.415 ' O ' ' HB3' ' A' 1291 ' ' GLN . 67.9 p 52.28 20.75 1.45 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.678 0.791 . . . . 0.0 112.608 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . 0.734 ' HD1' ' HB2' ' A' 1291 ' ' GLN . 90.8 t80 -174.29 134.31 0.42 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 175.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . 0.423 ' HB3' ' O ' ' A' 1235 ' ' PHE . 7.4 tt0 69.04 -47.15 0.57 Allowed 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.842 0.714 . . . . 0.0 110.924 -174.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.1 -41.55 83.73 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.49 0.662 . . . . 0.0 109.824 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . 0.41 ' HB2' ' CG ' ' A' 1287 ' ' GLU . . . -74.54 -24.78 59.01 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.51 -172.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . 0.563 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 42.4 tt0 -71.94 -58.66 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.362 -171.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.3 m -65.26 -31.11 72.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 0.0 110.186 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -67.68 -43.96 78.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.816 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . 0.544 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 61.2 tp -68.21 -41.64 81.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.695 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -57.69 -36.69 72.29 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.195 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.3 -52.13 37.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.462 177.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.91 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.46 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . 0.643 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -56.78 -53.16 60.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.271 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -64.73 -37.91 89.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.852 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.31 -47.71 77.04 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.409 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 29.2 tp -70.92 -36.19 72.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.64 0.257 . . . . 0.0 110.837 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . 0.463 ' OD1' ' HA ' ' A' 1343 ' ' THR . 20.2 m-20 -60.81 -41.75 96.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 110.368 175.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.489 ' O ' ' HB ' ' A' 1254 ' ' THR . 0.9 OUTLIER -67.89 -37.69 82.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.89 177.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.26 99.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.834 0.349 . . . . 0.0 110.83 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.78 94.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.325 0.583 . . . . 0.0 109.918 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' 1251 ' ' GLN . 94.7 m -58.52 -38.81 78.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.753 176.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' 1251 ' ' GLN . 38.3 mt-10 -63.71 -38.8 92.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.014 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.41 -33.33 75.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.579 0.228 . . . . 0.0 110.56 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 43.6 t -68.39 -42.93 84.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.071 0.462 . . . . 0.0 110.142 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . 0.573 ' HA ' ' CZ ' ' A' 1261 ' ' ARG . 27.3 mt-30 -66.73 -33.6 75.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.75 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -78.89 -27.6 43.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.004 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . 0.543 ' OG ' ' HA ' ' A' 1332 ' ' LYS . 35.1 t -52.97 -55.04 26.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.826 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . 0.573 ' CZ ' ' HA ' ' A' 1258 ' ' GLN . 1.7 ppt_? -95.62 32.75 1.75 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.549 0.69 . . . . 0.0 110.35 176.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -119.73 -98.87 1.77 Allowed Glycine 0 N--CA 1.436 -1.341 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 80.5 p -147.89 154.89 44.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.932 0.366 . . . . 0.0 110.994 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . 0.697 ' HA ' HD12 ' A' 1267 ' ' LEU . 45.0 Cg_exo -58.68 -32.39 96.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.737 2.291 . . . . 0.0 111.23 173.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -61.71 -38.64 88.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.399 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -80.13 -32.8 38.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.194 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' 1264 ' ' PRO . 57.9 mt -55.53 -42.55 74.72 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 174.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' A' 1205 ' ' THR . . . -59.62 -51.6 69.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.133 0.492 . . . . 0.0 110.421 176.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 52.5 ttp85 -54.35 -47.84 72.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.457 177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.74 98.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.091 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 44.4 m -56.32 -43.6 79.16 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.963 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -61.0 -47.47 91.12 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.721 -175.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -71.92 -38.97 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.546 -0.385 . . . . 0.0 110.985 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . 0.5 ' HD2' HD21 ' A' 1316 ' ' LEU . 67.6 t80 -60.67 -48.05 83.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.783 0.325 . . . . 0.0 110.5 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -68.3 -40.43 87.35 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.686 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -68.32 -46.62 69.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.624 0.25 . . . . 0.0 111.311 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 11.7 t70 -70.19 -30.0 67.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.447 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.476 ' CE2' HG13 ' A' 1216 ' ' VAL . 70.4 t80 -57.32 -38.12 73.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.622 176.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' 1283 ' ' GLU . 8.1 t -58.93 -44.7 91.41 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 25.4 m -66.12 -41.54 90.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.552 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . 0.447 ' HE2' HG21 ' A' 1308 ' ' ILE . 77.8 t80 -60.45 -49.55 77.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.246 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.595 HD21 ' HA ' ' A' 1220 ' ' SER . 34.1 tp -64.09 -38.44 91.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.372 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' 1279 ' ' SER . 43.0 mt-10 -56.24 -45.27 80.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.707 0.289 . . . . 0.0 110.772 177.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.03 77.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.123 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . 0.535 ' HA3' HD21 ' A' 1305 ' ' LEU . . . -67.33 -43.06 89.35 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.216 179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.487 HG21 ' HB3' ' A' 1223 ' ' LEU . 21.5 t -71.37 -31.53 43.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.099 0.476 . . . . 0.0 110.093 178.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . 0.41 ' CG ' ' HB2' ' A' 1238 ' ' ALA . 7.7 tp10 -58.86 -47.96 83.05 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.466 175.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' 1285 ' ' GLY . 13.7 ptm -70.94 -23.78 62.3 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.416 -176.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -60.4 -19.25 55.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.946 0.403 . . . . 0.0 110.498 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -76.05 -32.51 52.59 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.484 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.734 ' HB2' ' HD1' ' A' 1235 ' ' PHE . 18.1 pt20 -85.56 7.01 24.67 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.132 0.491 . . . . 0.0 110.786 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -100.2 105.31 35.07 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.472 171.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.1 -35.43 2.4 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.723 2.282 . . . . 0.0 113.25 -176.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' 1297 ' ' ASP . 15.2 m -74.91 140.0 43.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.609 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -40.79 81.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.551 -174.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -80.11 -32.14 39.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.067 0.46 . . . . 0.0 110.236 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . 0.644 ' HB3' ' HB2' ' A' 1294 ' ' SER . 32.6 t70 -64.08 -40.92 97.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.568 173.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' 1302 ' ' VAL . 38.9 ttm180 -67.38 -40.05 85.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.856 175.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.29 76.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 0.0 110.449 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.07 -46.78 85.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.037 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.53 ' HA ' ' ND2' ' A' 1304 ' ' ASN . 4.7 p -69.52 -34.75 63.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.829 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.572 ' HA ' HD12 ' A' 1305 ' ' LEU . 98.3 t -66.43 -32.74 59.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 120.982 0.42 . . . . 0.0 110.65 176.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 46.4 m -64.89 -40.13 94.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.408 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . 0.572 ' HB3' ' HG ' ' A' 1349 ' ' LEU . 54.5 m-20 -60.18 -43.07 96.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.666 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' 1302 ' ' VAL . 94.4 mt -56.53 -51.93 66.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.871 -1.058 . . . . 0.0 111.024 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -59.51 -48.35 82.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.663 0.268 . . . . 0.0 110.34 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -50.65 -49.11 41.46 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.906 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . 0.447 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -78.22 -34.26 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 122.667 -0.313 . . . . 0.0 110.886 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 63.3 m -62.46 -48.18 80.78 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.959 0.409 . . . . 0.0 110.922 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . 0.535 ' O ' ' HG3' ' A' 1314 ' ' LYS . 0.2 OUTLIER -65.34 -42.89 92.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.692 178.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.9 m -62.64 -38.61 90.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.796 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 42.1 t -60.99 -44.08 97.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.7 0.762 . . . . 0.0 109.217 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.603 ' O ' ' HG ' ' A' 1317 ' ' LEU . 52.3 m -60.36 -49.67 76.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.581 -1.19 . . . . 0.0 110.685 175.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' 1310 ' ' MET . 65.1 mttm -58.78 -39.99 82.68 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.186 -178.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.588 HD22 ' HA ' ' A' 1339 ' ' ALA . 42.0 tp -62.49 -47.74 82.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.5 HD21 ' HD2' ' A' 1274 ' ' PHE . 80.9 mt -65.9 -30.07 70.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.921 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' 1313 ' ' SER . 91.7 mt -65.37 -39.52 92.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.34 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.09 -39.31 86.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.225 175.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.09 95.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.944 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -56.21 -52.45 64.37 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.998 0.428 . . . . 0.0 110.477 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.29 82.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.765 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.4 HD11 ' HE2' ' A' 1332 ' ' LYS . 34.4 tp -72.7 -26.52 61.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.044 0.449 . . . . 0.0 110.817 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 51.1 m -76.81 -25.92 53.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.956 0.408 . . . . 0.0 110.629 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 13.9 p -90.73 -30.58 16.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.087 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -131.68 74.72 77.46 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.26 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . 0.533 ' HB3' ' HG3' ' A' 1264 ' ' PRO . 69.2 Cg_endo -78.75 -5.9 14.95 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.579 2.186 . . . . 0.0 113.254 -174.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -97.08 10.55 39.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.839 0.352 . . . . 0.0 110.941 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 17.9 t -98.53 104.85 26.28 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . 0.563 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 27.2 Cg_exo -63.25 -27.73 72.39 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.101 2.534 . . . . 0.0 112.847 -175.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 44.3 t30 -60.94 -38.04 84.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . 0.491 ' HA ' ' HB3' ' A' 1334 ' ' GLN . 10.9 mp -66.67 -26.13 66.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.604 -176.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.563 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 1.3 mptm? -63.32 -50.46 69.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.701 0.286 . . . . 0.0 110.641 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 3.8 p -74.27 -31.55 62.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.084 0.468 . . . . 0.0 110.595 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . 0.491 ' HB3' ' HA ' ' A' 1331 ' ' LEU . 26.8 tt0 -60.42 -46.1 91.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.263 176.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . 0.485 HD22 ' HB2' ' A' 1260 ' ' SER . 9.8 tt -64.16 -43.48 95.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.029 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.72 -38.48 78.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.121 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.53 -44.92 85.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.861 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.94 -36.94 84.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.597 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . 0.588 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.84 -43.36 98.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.755 177.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -63.43 -34.21 77.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.666 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.89 92.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.366 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' 1338 ' ' ALA . 50.0 t -66.02 -51.63 58.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.887 175.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . 0.463 ' HA ' ' OD1' ' A' 1250 ' ' ASN . 88.1 m -53.93 -49.64 68.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.379 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.71 -44.64 90.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.313 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 19.5 m -66.03 -36.54 83.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.406 ' CG1' HG13 ' A' 1308 ' ' ILE . 76.8 mt -62.69 -48.49 87.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.116 0.484 . . . . 0.0 109.888 174.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -55.89 -48.9 74.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.04 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.32 -24.49 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.513 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.572 ' HG ' ' HB3' ' A' 1304 ' ' ASN . 0.7 OUTLIER -71.42 -40.4 70.46 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.161 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' 1246 ' ' ALA . 43.8 mm -69.12 -36.07 71.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.593 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 29.8 m -57.89 -34.79 70.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.283 0.563 . . . . 0.0 110.414 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.9 tpt -78.62 -27.81 45.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.454 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 26.0 t -79.63 -51.32 9.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.142 -176.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 21.2 p -91.89 90.07 7.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.267 0.556 . . . . 0.0 110.736 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -85.61 58.05 4.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.075 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -169.76 107.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.591 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.47 -179.475 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 112.021 -0.432 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 23.3 pt -109.53 23.98 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.137 0.494 . . . . 0.0 110.218 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' 1203 ' ' PRO . 6.8 m-20 -54.08 119.35 19.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.003 -0.998 . . . . 0.0 111.192 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' 1202 ' ' ASP . 2.9 Cg_exo -76.22 97.85 1.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.986 2.457 . . . . 0.0 111.471 175.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' 1208 ' ' ASP . 44.6 p90 -80.41 -8.15 59.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.95 0.405 . . . . 0.0 110.798 -178.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . 0.49 ' O ' ' HG2' ' A' 1206 ' ' GLN . 1.0 OUTLIER -61.35 110.91 1.56 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 177.658 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.514 ' O ' HG22 ' A' 1209 ' ' VAL . 4.0 pt20 72.06 -29.62 0.2 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.66 1.184 . . . . 0.0 111.83 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -72.24 -20.36 61.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.743 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' 1204 ' ' PHE . 4.6 t0 -61.86 -22.32 65.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.538 ' HA ' ' HB3' ' A' 1271 ' ' SER . 11.6 m -68.13 -32.2 54.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.113 0.482 . . . . 0.0 110.187 176.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -82.65 -36.48 25.98 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.274 0.559 . . . . 0.0 109.901 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 24.1 t30 -55.97 -42.57 76.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.959 173.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' 1216 ' ' VAL . . . -59.95 -46.28 89.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.128 176.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' 1209 ' ' VAL . 83.3 mt -60.7 -36.57 79.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -65.05 -41.85 94.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.913 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.77 96.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.945 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.529 HG13 ' CE2' ' A' 1278 ' ' PHE . 50.9 t -61.12 -35.11 63.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.176 0.512 . . . . 0.0 110.106 176.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -69.91 -39.75 74.88 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.141 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . 0.579 ' HA ' ' CE ' ' A' 1221 ' ' LYS . 44.2 m-20 -65.0 -45.19 86.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.672 0.272 . . . . 0.0 110.925 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . 0.635 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -61.63 -43.28 99.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . 0.496 ' HA ' HD23 ' A' 1224 ' ' LEU . 3.7 p -65.04 -39.88 93.98 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.148 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . 0.579 ' CE ' ' HA ' ' A' 1218 ' ' ASP . 52.9 mtmt -62.82 -49.81 73.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.777 0.323 . . . . 0.0 111.729 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 36.0 mtm-85 -78.84 -8.64 58.99 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.736 ' HB3' HG11 ' A' 1286 ' ' VAL . 70.3 mt -126.91 -53.92 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' 1220 ' ' SER . 4.0 mm? -67.78 115.6 7.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.132 0.491 . . . . 0.0 111.543 -173.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 29.2 m 71.43 5.14 5.32 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.318 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 32.2 t70 -79.65 120.21 23.66 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 84.9 mt -70.72 104.69 2.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.986 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 2.7 pp -77.35 156.68 81.21 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.126 -175.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.12 152.63 81.65 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.771 2.314 . . . . 0.0 111.439 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -67.78 80.03 0.49 Allowed 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.704 2.269 . . . . 0.0 112.101 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 14.5 m -104.56 154.25 20.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.873 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 6.3 t -106.26 92.34 4.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.135 0.969 . . . . 0.0 110.942 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -90.19 118.68 5.35 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.958 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' 1237 ' ' GLU . 0.2 OUTLIER -63.22 149.72 44.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.679 0.276 . . . . 0.0 110.633 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 83.6 t80 -54.34 -61.57 2.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.861 -175.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . 0.525 ' HA ' ' HB3' ' A' 1239 ' ' GLN . 36.1 tt0 -71.13 -21.66 62.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.677 -176.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' A' 1234 ' ' THR . 14.7 tp10 -59.15 -52.79 64.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.212 175.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -74.53 -34.35 62.99 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.208 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . 0.525 ' HB3' ' HA ' ' A' 1236 ' ' GLN . 60.1 tt0 -59.28 -53.72 55.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.968 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 19.3 m -66.92 -38.88 87.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . 0.4 ' HE ' ' HB2' ' A' 1241 ' ' ARG . 14.9 ttm180 -60.2 -44.86 94.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.256 179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . 0.434 HD22 ' SD ' ' A' 1288 ' ' MET . 30.7 tp -58.96 -48.59 80.98 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.66 175.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -60.65 -42.06 96.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.689 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.98 -39.6 95.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -73.16 -39.87 65.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -60.51 -50.36 73.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.956 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.66 -38.46 75.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.33 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.49 -33.74 63.86 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.081 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 30.0 tp -74.99 -31.4 61.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -57.43 -50.33 73.35 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.089 0.471 . . . . 0.0 110.978 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' 1255 ' ' GLU . 0.0 OUTLIER -70.94 -32.5 69.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.169 -178.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -59.21 -46.51 88.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' 1257 ' ' VAL . . . -64.81 -39.87 94.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.2 0.524 . . . . 0.0 110.025 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 98.7 m -59.02 -34.81 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.395 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' 1251 ' ' GLN . 34.4 mt-10 -67.46 -41.12 85.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.857 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' 1256 ' ' LEU . 39.4 mt -60.66 -38.76 85.97 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.846 0.355 . . . . 0.0 110.201 175.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' 1253 ' ' ALA . 65.6 t -61.31 -50.31 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.261 179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -74.07 -38.39 63.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.246 -174.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -68.59 -26.9 65.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.891 0.377 . . . . 0.0 111.191 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . 0.404 ' HB3' ' HD2' ' A' 1261 ' ' ARG . 39.2 t -52.68 -34.55 52.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.473 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . 0.514 HH22 ' HB2' ' A' 1336 ' ' ALA . 5.5 mpt_? -108.08 16.92 22.91 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -147.21 -111.86 0.68 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.775 -1.202 . . . . 0.0 113.606 -176.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . 0.456 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 0.1 OUTLIER -80.49 123.08 83.06 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-O 121.373 0.606 . . . . 0.0 112.24 -171.357 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' 1263 ' ' THR . 19.1 Cg_exo -68.08 -34.94 21.26 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.562 2.841 . . . . 0.0 112.383 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -68.55 -31.8 71.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.41 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -45.16 75.53 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.252 174.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 39.1 tp -52.47 -50.39 62.8 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.606 0.566 . . . . 0.0 110.558 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' 1208 ' ' ASP . . . -63.97 -51.17 65.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.108 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -61.06 -34.29 74.66 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 111.095 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -66.97 -26.8 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.577 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . 0.538 ' HB3' ' HA ' ' A' 1209 ' ' VAL . 20.8 m -67.49 -51.69 48.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.634 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -64.18 -37.86 95.13 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.753 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -66.27 -47.51 73.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.86 0.362 . . . . 0.0 110.419 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . 0.468 ' HZ ' HG11 ' A' 1342 ' ' VAL . 89.2 t80 -59.33 -48.33 82.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.765 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.67 -38.91 97.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.842 -0.695 . . . . 0.0 112.666 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.65 -46.93 57.52 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.777 -0.249 . . . . 0.0 111.081 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.76 -35.27 80.03 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.696 0.284 . . . . 0.0 110.642 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.529 ' CE2' HG13 ' A' 1216 ' ' VAL . 47.9 t80 -60.13 -43.76 95.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.535 175.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 50.8 m -57.93 -48.12 80.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.171 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 21.4 m -61.82 -41.26 97.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.886 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . 0.488 ' HE2' HG21 ' A' 1308 ' ' ILE . 84.7 t80 -61.68 -47.63 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.574 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.635 HD23 ' HB1' ' A' 1219 ' ' ALA . 23.7 tp -65.64 -36.56 84.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.382 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' A' 1287 ' ' GLU . 43.3 mt-10 -63.58 -43.45 96.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.707 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' 1287 ' ' GLU . . . -65.03 -30.89 71.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.997 0.427 . . . . 0.0 110.381 176.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.04 -45.79 95.88 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.281 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.736 HG11 ' HB3' ' A' 1223 ' ' LEU . 13.3 m -74.62 -24.3 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 122.518 -0.401 . . . . 0.0 110.509 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' 1283 ' ' GLU . 6.9 mm-40 -56.98 -52.5 64.98 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 173.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.497 ' HA ' ' HG3' ' A' 1291 ' ' GLN . 17.6 ptm -75.54 -26.87 58.4 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' 1286 ' ' VAL . . . -64.62 -30.09 71.11 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.104 0.478 . . . . 0.0 110.13 176.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -80.26 -11.4 84.35 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.756 -0.656 . . . . 0.0 113.07 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.497 ' HG3' ' HA ' ' A' 1288 ' ' MET . 1.2 pp0? -104.38 6.36 35.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.38 0.59 . . . . 0.0 111.044 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -75.83 116.59 56.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.117 178.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 34.9 Cg_exo -60.3 -41.61 48.96 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.927 2.418 . . . . 0.0 112.285 -177.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 59.1 m -107.59 138.8 43.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.412 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . 0.554 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 23.0 mt-30 -68.57 -17.35 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.941 -177.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.28 -46.33 87.28 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 173.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.81 -35.28 72.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.179 0.514 . . . . 0.0 109.831 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.554 ' HB3' ' HA ' ' A' 1295 ' ' GLN . 38.4 ttt180 -63.98 -45.81 87.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.146 178.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -73.83 -29.2 62.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.773 0.321 . . . . 0.0 110.568 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.73 -50.81 69.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.787 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.664 HG23 HD21 ' A' 1349 ' ' LEU . 7.6 p -60.6 -40.11 83.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.502 ' HA ' HD12 ' A' 1305 ' ' LEU . 93.8 t -61.56 -37.85 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.876 0.37 . . . . 0.0 110.951 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 20.2 m -64.97 -39.94 94.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.044 0.449 . . . . 0.0 110.369 178.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . 0.432 ' CB ' HD23 ' A' 1349 ' ' LEU . 35.3 m-20 -66.63 -37.67 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.8 176.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' 1301 ' ' VAL . 96.3 mt -63.11 -33.95 76.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.835 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -57.75 -42.66 84.4 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 173.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.93 -45.94 78.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.425 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . 0.488 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -82.37 -39.06 15.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.314 -178.553 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . 0.523 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 57.3 p -67.45 -45.1 77.0 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 122.246 -0.284 . . . . 0.0 111.31 -177.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . 0.639 ' HG2' ' HE2' ' A' 1314 ' ' LYS . 54.3 ttm -65.74 -39.99 91.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.945 0.402 . . . . 0.0 110.194 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 37.4 m -70.55 -29.79 66.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.37 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 42.0 t -61.45 -45.16 95.47 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.492 ' O ' ' HG ' ' A' 1317 ' ' LEU . 39.4 m -60.32 -49.73 76.45 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 114.618 -1.173 . . . . 0.0 110.533 174.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.639 ' HE2' ' HG2' ' A' 1310 ' ' MET . 66.5 mttm -57.19 -44.09 83.29 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.426 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.602 HD22 ' HA ' ' A' 1339 ' ' ALA . 37.2 tp -61.4 -47.02 87.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.41 . . . . 0.0 111.026 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.454 HD21 ' HD2' ' A' 1274 ' ' PHE . 86.4 mt -67.32 -30.13 69.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.813 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' 1313 ' ' SER . 85.8 mt -65.29 -35.1 79.99 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.962 0.41 . . . . 0.0 110.399 175.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.25 83.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.129 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -67.42 -37.79 83.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 0.0 110.358 175.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . 0.471 ' HA ' HG21 ' A' 1209 ' ' VAL . 13.3 tppt? -54.51 -49.67 69.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.613 173.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.67 64.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.243 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . . . . . . . . . 33.8 tp -75.86 -29.76 58.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.694 0.283 . . . . 0.0 111.587 -176.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 6.3 p -74.74 -17.03 60.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.015 0.436 . . . . 0.0 110.572 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 2.3 p -101.46 -31.66 10.79 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.785 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -131.09 90.83 37.87 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.0 175.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -91.71 15.03 1.73 Allowed 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 122.494 2.13 . . . . 0.0 112.292 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -98.63 -38.6 9.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.737 -175.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 41.6 t -68.07 116.27 37.21 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.61 -175.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.11 -27.18 29.89 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.864 2.376 . . . . 0.0 111.05 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -67.27 -31.51 71.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.908 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.06 -37.93 72.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.032 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -59.09 -44.58 91.93 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.098 0.475 . . . . 0.0 109.792 172.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 35.4 t -60.55 -44.67 95.87 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.785 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -62.95 -44.64 95.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.797 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.06 -45.34 91.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.43 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . 0.514 ' HB2' HH22 ' A' 1261 ' ' ARG . . . -62.34 -38.7 90.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.294 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -67.04 -40.99 87.28 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.998 0.428 . . . . 0.0 110.715 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.489 ' O ' HG23 ' A' 1342 ' ' VAL . . . -68.65 -42.6 77.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.662 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . 0.602 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.81 -41.12 97.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.094 0.474 . . . . 0.0 110.643 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -61.18 -41.88 97.59 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.109 175.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.7 97.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.823 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' 1346 ' ' ILE . 59.4 t -64.26 -52.73 52.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.724 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 18.1 m -61.66 -37.96 85.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.2 0.524 . . . . 0.0 110.641 -177.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' 1348 ' ' GLN . 33.2 t70 -64.11 -50.54 67.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.758 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 9.0 p -66.58 -33.93 76.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.597 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' 1342 ' ' VAL . 95.9 mt -55.2 -53.72 31.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 172.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -64.8 -33.48 76.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.334 -176.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' 1344 ' ' ASP . 14.9 mm100 -59.56 -48.83 80.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.884 0.374 . . . . 0.0 110.658 177.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.664 HD21 HG23 ' A' 1301 ' ' VAL . 2.5 tm? -67.16 -38.67 85.87 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.458 -176.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' 1346 ' ' ILE . 44.5 mm -67.39 -43.63 87.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.556 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 85.8 m -60.76 -47.21 87.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.358 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 22.9 ptp -71.51 -27.76 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.681 0.277 . . . . 0.0 110.855 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 39.3 t -77.84 -22.95 49.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.903 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . 0.513 HG22 ' H ' ' A' 1356 ' ' GLN . 9.2 m 71.87 145.32 0.07 Allowed 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.705 0.628 . . . . 0.0 110.42 -175.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -107.35 19.61 20.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.11 0.481 . . . . 0.0 110.948 -177.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . 0.513 ' H ' HG22 ' A' 1354 ' ' THR . 58.9 tt0 -123.57 -73.66 0.64 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.855 176.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.585 177.771 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 112.23 -0.348 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 45.1 mm 63.36 75.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 122.937 0.495 . . . . 0.0 110.659 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 29.3 t70 58.86 97.45 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.45 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.791 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -80.0 110.23 2.51 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.97 2.446 . . . . 0.0 111.936 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . 0.446 ' O ' ' HB ' ' A' 1205 ' ' THR . 47.9 p90 -68.15 159.07 31.75 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' 1204 ' ' PHE . 88.3 m 76.08 -52.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.756 -177.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.411 ' O ' HG22 ' A' 1209 ' ' VAL . 13.0 mm100 -74.13 -42.93 59.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.965 0.412 . . . . 0.0 110.39 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.506 ' HD3' ' HB3' ' A' 1210 ' ' ASP . 6.6 tpp180 -77.11 -21.05 54.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.471 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.04 -43.64 66.79 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.557 HG21 ' HA ' ' A' 1320 ' ' LYS . 31.5 m -64.14 -36.17 76.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.852 0.358 . . . . 0.0 111.37 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . 0.506 ' HB3' ' HD3' ' A' 1207 ' ' ARG . 25.2 t70 -83.55 -27.49 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.078 0.466 . . . . 0.0 110.692 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 59.1 t30 -63.59 -35.06 79.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.984 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' 1216 ' ' VAL . . . -60.71 -40.9 94.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.888 173.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . 0.79 HD21 ' HB2' ' A' 1316 ' ' LEU . 41.9 mt -67.52 -31.14 71.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.993 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . 0.435 ' HA ' ' HE ' ' A' 1214 ' ' ARG . 2.9 tpm_? -59.62 -41.06 89.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.17 -50.51 39.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.614 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.541 HG13 ' CE2' ' A' 1278 ' ' PHE . 87.2 t -58.84 -52.64 57.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.315 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . 0.443 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -62.52 -47.4 89.6 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.559 -177.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.64 -43.88 98.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.631 0.253 . . . . 0.0 110.689 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . 0.426 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -65.88 -42.81 89.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.967 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 48.5 m -62.1 -37.2 84.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.81 0.338 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' 1217 ' ' GLY . 67.2 mttm -74.15 -56.98 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.991 0.424 . . . . 0.0 110.318 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -56.41 -56.31 22.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.393 -0.822 . . . . 0.0 112.035 -175.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.675 ' HB3' HG21 ' A' 1286 ' ' VAL . 92.3 mt -68.13 -37.83 81.54 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -173.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 79.0 mt -86.18 6.08 31.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.832 0.349 . . . . 0.0 111.457 -176.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 49.2 m -107.63 -40.37 5.33 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 172.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.99 -39.32 69.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.624 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 94.7 mt 64.04 22.17 12.84 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.461 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 41.7 mt -147.61 139.66 14.08 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.483 178.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' A' 1230 ' ' PRO . 68.4 Cg_endo -92.4 145.87 2.77 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 123.016 2.477 . . . . 0.0 112.83 177.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 2.6 Cg_endo -82.86 15.53 2.05 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 123.157 2.571 . . . . 0.0 111.462 174.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . 0.515 ' O ' ' HG3' ' A' 1287 ' ' GLU . 33.9 p -151.61 146.91 26.17 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.311 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 13.4 t -170.88 -169.05 0.73 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -166.63 -125.33 0.77 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 62.1 p -109.32 -46.96 3.47 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 176.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . 0.495 ' HA ' ' NE2' ' A' 1291 ' ' GLN . 32.2 t80 -175.34 -56.44 0.01 OUTLIER 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.734 174.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . 0.509 ' HA ' ' HB3' ' A' 1239 ' ' GLN . 29.4 tt0 -65.63 -24.99 67.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.19 -176.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -54.24 -48.1 71.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.942 0.401 . . . . 0.0 110.623 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -78.33 -34.94 48.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.319 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . 0.509 ' HB3' ' HA ' ' A' 1236 ' ' GLN . 53.0 tt0 -57.32 -45.13 84.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.734 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 17.6 m -63.37 -37.46 87.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.582 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . 0.432 ' HG2' ' HB2' ' A' 1284 ' ' ALA . 52.8 ttt180 -67.76 -39.07 84.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.346 -178.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . 0.794 HD22 ' HB1' ' A' 1284 ' ' ALA . 2.4 mm? -57.39 -41.15 79.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.856 176.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -66.75 -39.24 87.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.567 -174.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.65 -52.21 40.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.185 0.517 . . . . 0.0 110.287 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.1 -33.32 75.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.226 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -59.01 -53.67 55.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.225 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.4 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.74 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -64.86 -47.01 87.69 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.4 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . 0.424 HD23 HD11 ' A' 1346 ' ' ILE . 22.2 tp -66.24 -36.71 83.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.602 0.239 . . . . 0.0 110.768 -177.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -62.01 -39.89 93.8 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.838 0.351 . . . . 0.0 110.702 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.504 ' O ' ' HB ' ' A' 1254 ' ' THR . 25.7 tm0? -72.44 -39.62 67.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.963 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.08 96.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.013 0.435 . . . . 0.0 110.796 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' 1257 ' ' VAL . . . -62.44 -40.2 95.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.19 0.519 . . . . 0.0 109.916 174.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' 1251 ' ' GLN . 80.5 m -57.54 -40.15 78.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.973 176.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' 1251 ' ' GLN . 59.8 mt-10 -61.67 -45.14 95.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.583 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 68.9 mt -59.78 -42.09 92.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.717 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' 1253 ' ' ALA . 95.7 t -59.28 -48.97 85.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.844 0.354 . . . . 0.0 111.254 179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -69.23 -43.52 73.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.926 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.1 69.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . . . . . . . . . 38.6 t -55.09 -37.35 66.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.764 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' 1261 ' ' ARG . 23.0 mtp180 -112.27 21.0 16.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.2 -177.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -126.7 -60.18 0.14 Allowed Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.326 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 1.8 t -167.78 133.43 1.63 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 121.101 0.477 . . . . 0.0 111.372 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . 0.77 ' HA ' HD12 ' A' 1267 ' ' LEU . 39.5 Cg_exo -61.06 -23.09 76.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.379 2.719 . . . . 0.0 112.436 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -76.44 -27.92 56.39 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -177.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . 0.429 ' HB2' HG23 ' A' 1263 ' ' THR . 10.7 t70 -75.25 -35.15 61.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 175.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' 1264 ' ' PRO . 75.6 mt -53.17 -44.75 68.12 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.852 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -57.03 -47.9 79.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.076 0.465 . . . . 0.0 111.082 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.31 -45.54 94.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.008 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.65 -28.72 70.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.67 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 35.5 m -63.6 -43.62 96.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.708 0.29 . . . . 0.0 110.932 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -74.77 -27.41 64.97 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.617 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -69.52 -53.62 18.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 175.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . . . . . . . . . 65.7 t80 -61.02 -47.52 86.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.936 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -61.03 -37.75 94.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.594 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.67 -50.02 47.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.619 0.247 . . . . 0.0 110.823 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -62.18 -37.71 86.29 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.413 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.698 ' HE1' ' HA ' ' A' 1309 ' ' SER . 83.6 t80 -61.08 -44.46 97.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.484 176.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 58.8 m -56.13 -51.14 69.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.088 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 32.7 m -61.96 -39.52 92.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.185 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 58.0 t80 -64.11 -46.04 85.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.502 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.426 HD23 ' HB1' ' A' 1219 ' ' ALA . 20.7 tp -66.27 -38.01 86.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.345 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.6 -50.42 70.16 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.192 173.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . 0.794 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -61.82 -37.21 83.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.15 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -60.05 -48.0 88.26 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.09 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.675 HG21 ' HB3' ' A' 1223 ' ' LEU . 33.3 t -68.72 -33.93 62.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.145 0.497 . . . . 0.0 110.02 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' 1231 ' ' SER . 35.2 tt0 -59.23 -47.15 86.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.763 178.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.55 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 20.6 ptm -75.09 -25.25 58.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -69.48 -32.56 71.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.826 0.346 . . . . 0.0 110.774 176.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -73.05 -28.56 66.31 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.495 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.55 ' HG2' ' HA ' ' A' 1288 ' ' MET . 12.3 pt20 -93.37 10.08 33.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.811 0.338 . . . . 0.0 110.724 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . 0.478 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -62.48 126.39 88.04 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.568 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 31.4 Cg_exo -59.62 -35.96 93.77 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.033 2.489 . . . . 0.0 112.419 -177.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 96.6 p -136.26 165.46 25.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.242 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -70.14 -20.29 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.28 -45.3 93.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.059 175.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -71.23 -40.43 71.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.536 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' 1302 ' ' VAL . 75.6 ttt180 -63.43 -46.53 85.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.361 -176.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.53 75.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.012 0.434 . . . . 0.0 110.819 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -69.25 -48.9 60.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.919 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.656 ' O ' ' HG ' ' A' 1305 ' ' LEU . 10.4 p -62.89 -39.14 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.139 -178.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' 1298 ' ' ARG . 71.8 t -61.78 -43.98 98.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.674 0.273 . . . . 0.0 111.233 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 3.2 p -66.95 -32.88 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.146 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -66.34 -42.76 87.67 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.298 0.571 . . . . 0.0 109.777 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.5 mt -60.63 -32.78 71.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.338 -177.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.68 -37.1 82.87 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.627 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.56 -51.32 57.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.319 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . 0.442 HG13 ' CG1' ' A' 1346 ' ' ILE . 0.0 OUTLIER -74.45 -39.9 48.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 121.253 -0.179 . . . . 0.0 111.123 -178.477 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . 0.698 ' HA ' ' HE1' ' A' 1278 ' ' PHE . 23.9 p -65.43 -44.54 87.03 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.545 0.212 . . . . 0.0 111.313 -177.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . 0.624 ' O ' ' HG3' ' A' 1314 ' ' LYS . 20.1 mmt -63.31 -46.77 85.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.708 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 66.3 m -62.72 -34.94 78.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.483 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 61.3 m -65.7 -37.72 87.24 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.681 0.753 . . . . 0.0 109.533 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.443 ' O ' ' HG ' ' A' 1317 ' ' LEU . 47.4 m -64.75 -48.22 75.36 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.149 176.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' 1310 ' ' MET . 82.6 mttt -60.44 -38.58 84.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.574 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.645 HD22 ' HA ' ' A' 1339 ' ' ALA . 34.0 tp -61.07 -52.78 63.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.1 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.79 ' HB2' HD21 ' A' 1213 ' ' LEU . 95.9 mt -65.6 -30.15 70.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' 1314 ' ' LYS . 72.3 mt -59.53 -45.97 90.23 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 174.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -65.37 -39.24 92.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.646 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.61 95.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 178.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . 0.557 ' HA ' HG21 ' A' 1209 ' ' VAL . 33.6 ttpt -64.21 -43.7 94.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.717 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.98 72.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.492 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.569 HD23 HD11 ' A' 1267 ' ' LEU . 28.1 tp -73.0 -26.31 61.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.736 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 29.5 t -63.73 -41.84 97.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.106 0.479 . . . . 0.0 109.839 175.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 3.1 m -79.79 -40.61 28.27 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.191 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . 0.449 ' O ' HD12 ' A' 1322 ' ' LEU . 2.7 m-20 -120.12 86.23 37.06 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -90.04 3.22 5.1 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.623 2.216 . . . . 0.0 112.949 -177.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . 0.482 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -107.4 13.46 26.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.689 0.28 . . . . 0.0 111.24 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 34.2 t -99.79 103.49 22.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.382 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' A' 1327 ' ' ALA . 26.1 Cg_exo -62.8 -34.08 73.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.772 2.315 . . . . 0.0 111.628 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.13 -36.93 85.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.483 178.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 19.5 tp -68.79 -32.7 72.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.544 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.555 ' CE ' HD11 ' A' 1322 ' ' LEU . 2.1 mptm? -61.44 -39.79 92.11 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.381 0.61 . . . . 0.0 110.035 173.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 23.2 t -70.65 -42.79 70.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.696 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.6 -40.66 97.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.762 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.42 -53.15 61.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.118 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.93 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.774 0.321 . . . . 0.0 111.033 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -64.35 -49.87 69.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.056 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' 1342 ' ' VAL . . . -62.91 -38.01 89.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.644 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . 0.645 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -59.67 -46.24 89.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.026 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' 1340 ' ' ARG . 33.2 mmt180 -68.66 -28.76 67.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.935 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.51 -40.02 94.86 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 174.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' 1338 ' ' ALA . 62.6 t -61.57 -49.8 82.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.695 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.4 m -53.7 -47.45 70.49 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.507 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.42 -53.53 57.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.42 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.8 m -61.03 -38.19 85.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.323 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.556 ' O ' HG12 ' A' 1350 ' ' ILE . 63.9 mt -59.22 -52.16 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.793 0.33 . . . . 0.0 110.266 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -57.33 -47.5 81.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.392 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -60.07 -43.95 95.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.661 0.267 . . . . 0.0 110.91 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -60.25 -44.5 95.22 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.24 0.543 . . . . 0.0 109.698 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.606 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 35.0 mm -70.86 -35.24 59.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.271 -177.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 91.8 m -72.26 -26.03 61.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.933 0.397 . . . . 0.0 111.434 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 71.5 mtm -80.02 -36.23 36.15 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.145 -0.347 . . . . 0.0 111.267 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' 1350 ' ' ILE . 24.5 p -84.28 -38.55 20.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.941 0.4 . . . . 0.0 110.731 178.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 20.8 m -110.3 96.51 6.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.14 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -76.69 139.2 40.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.008 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.38 110.56 22.81 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.556 -177.671 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.409 -0.277 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 5.4 tt -66.12 128.47 29.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.589 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . 0.445 ' OD2' ' HD3' ' A' 1207 ' ' ARG . 10.7 t70 -167.96 148.46 4.56 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . 0.405 ' HD2' ' CG ' ' A' 1202 ' ' ASP . 74.7 Cg_exo -50.01 109.7 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.655 2.236 . . . . 0.0 112.277 177.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -73.25 -177.35 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . 0.496 ' HA ' ' CB ' ' A' 1268 ' ' ALA . 23.2 m 73.28 -67.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.654 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -71.46 -29.3 64.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.552 176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.445 ' HD3' ' OD2' ' A' 1202 ' ' ASP . 21.1 tpt180 -74.98 -39.87 61.04 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.079 175.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . 0.464 ' HB2' ' HB1' ' A' 1268 ' ' ALA . 14.9 m-20 -60.01 -35.79 75.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.636 ' HA ' ' OG ' ' A' 1271 ' ' SER . 29.7 m -80.4 -39.23 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.208 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . 0.58 ' HA ' ' HD3' ' A' 1320 ' ' LYS . 36.7 t70 -77.35 -30.97 54.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.853 0.358 . . . . 0.0 111.648 -176.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.39 -29.57 70.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.982 0.42 . . . . 0.0 110.555 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' 1216 ' ' VAL . . . -66.42 -44.53 82.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.427 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . 0.696 HD11 ' HB3' ' A' 1316 ' ' LEU . 7.1 mp -63.56 -35.32 80.11 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.155 177.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 66.8 ttt-85 -56.56 -43.75 80.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.782 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -70.74 -44.98 65.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.003 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.682 HG13 ' CE2' ' A' 1278 ' ' PHE . 84.9 t -58.98 -47.65 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.984 0.421 . . . . 0.0 110.834 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.94 -41.27 97.45 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.48 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.75 -44.12 82.32 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.649 -0.324 . . . . 0.0 110.148 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.15 71.42 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.016 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 38.4 m -58.12 -54.16 50.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.968 0.413 . . . . 0.0 110.699 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' 1221 ' ' LYS . 3.9 mptp? -76.0 -26.49 56.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 111.035 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -72.45 -25.21 61.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.261 -177.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.502 HD21 ' HG2' ' A' 1283 ' ' GLU . 62.7 mt -111.27 -54.5 2.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.248 -172.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . 0.48 HD22 HG13 ' A' 1302 ' ' VAL . 83.0 mt -58.85 -76.42 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.188 0.305 . . . . 0.0 111.76 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 19.2 m 53.18 -154.53 0.22 Allowed 'General case' 0 CA--C 1.535 0.387 0 O-C-N 123.329 0.393 . . . . 0.0 110.891 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -129.18 144.3 51.16 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 11.1 mp 60.46 94.49 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.811 0.695 . . . . 0.0 112.261 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . 0.532 ' HB2' ' HD2' ' A' 1298 ' ' ARG . 94.2 mt -117.56 106.85 45.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.964 176.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.61 136.84 40.57 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.556 2.171 . . . . 0.0 112.365 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . 0.743 ' HA ' ' O ' ' A' 1290 ' ' GLY . 68.3 Cg_endo -76.7 151.18 31.83 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.742 2.295 . . . . 0.0 112.532 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 15.6 p -121.03 -176.2 3.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.094 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . 0.55 ' HA ' ' CE2' ' A' 1235 ' ' PHE . 1.3 p -112.56 158.33 20.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.511 0.196 . . . . 0.0 111.096 179.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 82.73 -48.83 4.08 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.665 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . 0.856 ' HA ' ' HB3' ' A' 1237 ' ' GLU . 0.2 OUTLIER -55.69 -17.69 6.4 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.263 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' 1232 ' ' THR . 85.7 m-85 -51.11 -67.88 0.22 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.037 0.446 . . . . 0.0 110.985 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -78.32 -21.81 49.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.14 0.495 . . . . 0.0 109.933 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . 0.856 ' HB3' ' HA ' ' A' 1234 ' ' THR . 32.8 tt0 -58.07 -47.51 82.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.123 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . 0.789 ' HA ' ' HG2' ' A' 1241 ' ' ARG . . . -79.31 -27.56 42.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.047 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -55.66 -53.79 52.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.037 0.446 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 14.6 m -64.99 -38.37 90.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.877 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . 0.789 ' HG2' ' HA ' ' A' 1238 ' ' ALA . 14.0 ptm180 -75.24 -28.43 59.86 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.709 -0.397 . . . . 0.0 110.981 -173.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . 0.466 HD22 ' HB1' ' A' 1284 ' ' ALA . 1.0 OUTLIER -60.38 -45.9 91.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.375 174.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -66.05 -39.51 90.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.264 -176.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.78 -49.0 64.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.094 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.42 80.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -57.68 -53.33 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.39 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.21 -37.07 71.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.344 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -68.96 -44.69 66.5 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.219 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 32.2 tp -68.3 -31.16 70.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.642 0.258 . . . . 0.0 111.03 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 11.1 m120 -54.99 -50.45 68.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.136 0.493 . . . . 0.0 110.571 175.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 17.2 tm0? -72.49 -33.82 67.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.037 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -58.09 -42.11 84.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.874 0.369 . . . . 0.0 110.939 177.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -67.29 -32.77 73.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.096 0.474 . . . . 0.0 110.301 176.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 29.9 m -63.3 -36.22 82.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.699 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.48 -43.32 99.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.203 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.39 -38.26 86.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.548 0.213 . . . . 0.0 110.912 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 48.9 t -60.71 -52.6 59.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-O 120.981 0.42 . . . . 0.0 110.663 178.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -64.54 -42.07 95.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.627 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.55 88.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.385 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . 0.513 ' OG ' ' HG ' ' A' 1335 ' ' LEU . 63.5 m -59.85 -31.07 69.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.79 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -97.03 4.39 51.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -177.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -117.6 -71.4 0.42 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.708 -177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' 1266 ' ' ASP . 2.7 t -156.47 136.14 8.34 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.749 0.309 . . . . 0.0 111.251 -177.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . 0.744 ' HA ' HD13 ' A' 1267 ' ' LEU . 50.5 Cg_exo -54.7 -30.76 68.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.483 2.788 . . . . 0.0 112.901 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -70.36 -20.67 62.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.328 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . 0.424 ' HB2' HG23 ' A' 1263 ' ' THR . 16.5 t70 -79.88 -32.05 40.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.79 0.329 . . . . 0.0 110.123 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.744 HD13 ' HA ' ' A' 1264 ' ' PRO . 6.6 mp -59.84 -34.2 72.78 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.121 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . 0.496 ' CB ' ' HA ' ' A' 1205 ' ' THR . . . -57.57 -55.14 38.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.217 179.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -69.23 -35.43 76.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.358 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.09 85.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.624 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . 0.636 ' OG ' ' HA ' ' A' 1209 ' ' VAL . 7.5 t -63.17 -41.57 99.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.789 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -64.44 -35.69 92.27 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.986 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -74.37 -50.01 20.4 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . 0.413 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 73.5 t80 -56.53 -48.26 77.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.496 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -60.01 -39.32 95.52 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.775 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.29 -51.88 27.1 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.526 0.203 . . . . 0.0 111.085 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -63.27 -36.05 82.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.517 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.682 ' CE2' HG13 ' A' 1216 ' ' VAL . 74.2 t80 -60.96 -45.03 96.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.537 175.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . 0.579 ' O ' ' HG3' ' A' 1283 ' ' GLU . 51.9 m -54.5 -54.43 41.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.047 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 14.3 m -60.86 -40.34 92.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.154 -178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 82.7 t80 -63.71 -48.31 77.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.64 178.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' 1286 ' ' VAL . 43.6 tp -64.44 -45.92 85.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.712 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . 0.579 ' HG3' ' O ' ' A' 1279 ' ' SER . 58.8 mt-10 -60.53 -35.78 76.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.9 0.381 . . . . 0.0 110.452 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . 0.466 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -71.37 -43.31 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.78 177.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -60.39 -47.12 92.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.175 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' 1282 ' ' LEU . 45.5 t -67.22 -30.0 47.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 0.0 110.107 177.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' 1291 ' ' GLN . 9.3 tp10 -59.52 -53.48 57.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.182 177.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.579 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 19.9 ptm -72.74 -26.63 61.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.954 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.98 90.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 171.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . 0.743 ' O ' ' HA ' ' A' 1230 ' ' PRO . . . -83.93 31.68 3.34 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.604 177.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.579 ' HG2' ' HA ' ' A' 1288 ' ' MET . 77.5 mm-40 -116.39 -12.38 11.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.494 0.664 . . . . 0.0 109.234 171.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -67.71 128.7 93.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.315 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -62.27 -34.05 79.07 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.58 2.186 . . . . 0.0 112.117 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . 0.403 ' HB2' ' CB ' ' A' 1297 ' ' ASP . 19.1 m -91.16 126.79 36.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.063 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . 0.459 ' O ' ' HB3' ' A' 1298 ' ' ARG . 4.4 pt20 -66.9 -27.03 67.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.486 0.184 . . . . 0.0 111.254 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.85 -34.54 57.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.991 0.424 . . . . 0.0 109.957 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . 0.403 ' CB ' ' HB2' ' A' 1294 ' ' SER . 19.3 t70 -68.35 -34.85 76.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 176.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.532 ' HD2' ' HB2' ' A' 1228 ' ' LEU . 12.8 ttp85 -55.8 -43.75 77.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.946 170.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -66.35 -28.69 68.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.232 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . 0.403 ' HB3' ' O ' ' A' 1297 ' ' ASP . 34.1 tt0 -58.59 -48.88 79.47 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.605 ' O ' ' HG ' ' A' 1305 ' ' LEU . 16.8 t -59.95 -44.22 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.769 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.48 HG13 HD22 ' A' 1224 ' ' LEU . 90.7 t -57.62 -39.44 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.141 178.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . 0.511 ' HA ' ' HE3' ' A' 1306 ' ' LYS . 26.6 t -61.01 -36.52 79.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.038 0.447 . . . . 0.0 110.333 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -76.17 -39.97 53.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.241 0.543 . . . . 0.0 109.819 177.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' 1301 ' ' VAL . 95.6 mt -62.0 -36.63 82.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.538 -178.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . 0.564 ' HA ' ' OG ' ' A' 1309 ' ' SER . 16.1 ptpt -64.75 -28.83 69.85 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.888 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -58.97 -45.67 94.82 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.823 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -40.73 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 122.675 -0.309 . . . . 0.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . 0.633 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 24.3 p -65.13 -47.5 76.89 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.763 0.316 . . . . 0.0 111.619 -176.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . 0.549 ' O ' ' HG3' ' A' 1314 ' ' LYS . 90.7 mtp -67.6 -37.2 82.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.647 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . 0.807 ' HA ' ' HD2' ' A' 1314 ' ' LYS . 69.2 m -65.22 -33.37 75.84 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.728 177.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 49.6 m -67.22 -38.67 85.66 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.371 0.605 . . . . 0.0 109.47 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.551 ' O ' ' HG ' ' A' 1317 ' ' LEU . 41.5 m -62.04 -48.11 81.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.046 174.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.807 ' HD2' ' HA ' ' A' 1311 ' ' SER . 56.3 mttm -56.51 -43.41 79.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.564 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.17 -51.3 69.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.064 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.696 ' HB3' HD11 ' A' 1213 ' ' LEU . 89.4 mt -65.45 -30.17 70.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.434 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' 1313 ' ' SER . 78.6 mt -57.26 -47.38 81.56 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 110.387 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.6 -36.38 76.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.581 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.06 86.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.31 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . 0.58 ' HD3' ' HA ' ' A' 1210 ' ' ASP . 32.5 mtmt -59.14 -52.05 67.39 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.175 0.512 . . . . 0.0 110.639 178.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -58.21 -45.05 88.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.801 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.512 HD11 ' CE ' ' A' 1332 ' ' LYS . 20.4 tp -66.12 -29.37 69.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.834 0.349 . . . . 0.0 111.499 -175.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . 0.465 ' HA ' ' HB3' ' A' 1264 ' ' PRO . 43.5 m -72.03 -14.13 61.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.842 0.353 . . . . 0.0 111.313 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 11.9 t -125.67 10.6 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.118 0.485 . . . . 0.0 110.433 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . 0.413 ' N ' ' HD3' ' A' 1326 ' ' PRO . 28.7 t70 -156.83 56.36 1.17 Allowed Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.307 -177.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . 0.431 ' HA ' HD12 ' A' 1322 ' ' LEU . 95.6 Cg_endo -85.0 17.39 1.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.462 2.108 . . . . 0.0 113.36 -172.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . 0.469 ' O ' ' HD3' ' A' 1329 ' ' PRO . . . -100.09 -7.58 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.787 0.327 . . . . 0.0 110.955 177.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 18.2 m -90.97 108.36 27.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.47 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' 1327 ' ' ALA . 28.2 Cg_exo -62.61 -34.51 74.36 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.981 2.454 . . . . 0.0 112.001 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 8.6 p30 -61.33 -30.43 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.673 177.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 12.1 tp -77.18 -34.76 56.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.064 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.512 ' CE ' HD11 ' A' 1322 ' ' LEU . 1.4 mptm? -64.51 -38.62 91.66 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.275 0.56 . . . . 0.0 109.817 172.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 39.8 m -66.81 -48.46 68.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.055 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.27 -37.14 84.33 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.956 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . 0.513 ' HG ' ' OG ' ' A' 1260 ' ' SER . 1.6 tm? -56.7 -53.0 62.73 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.78 84.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.28 81.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.487 ' O ' HG23 ' A' 1342 ' ' VAL . . . -68.14 -38.05 81.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.726 179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.54 96.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.632 177.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' 1340 ' ' ARG . 27.1 mmt180 -65.66 -37.53 86.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.311 176.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.83 88.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.455 176.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' 1346 ' ' ILE . 82.7 t -60.81 -52.61 59.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.732 178.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 26.3 m -61.03 -45.58 94.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.357 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -38.06 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.436 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 43.2 m -66.36 -37.67 85.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.704 0.288 . . . . 0.0 110.63 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' 1342 ' ' VAL . 94.0 mt -58.07 -52.99 51.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.086 175.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.44 -43.03 88.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.144 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -61.98 -42.96 99.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.5 -46.16 73.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.767 -178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' 1346 ' ' ILE . 29.4 mm -63.77 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . 0.754 ' O ' ' HG3' ' A' 1355 ' ' GLN . 88.2 m -56.59 -55.71 30.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.297 177.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . 0.59 ' HA ' ' OE1' ' A' 1355 ' ' GLN . 24.2 ttt -58.91 -45.15 90.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.184 -175.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 78.4 m -68.11 -40.56 82.53 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -173.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 14.8 m -85.37 -4.74 59.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.776 0.322 . . . . 0.0 111.851 -175.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . 0.754 ' HG3' ' O ' ' A' 1351 ' ' THR . 55.6 mt-30 -62.4 -50.04 73.09 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.693 0.282 . . . . 0.0 111.097 177.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -82.48 94.13 7.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.027 0.441 . . . . 0.0 109.937 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.137 -179.816 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 30.1 pt -88.21 21.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.746 0.784 . . . . 0.0 109.868 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . 0.521 ' HB2' ' HD2' ' A' 1207 ' ' ARG . 11.2 p-10 -134.6 144.9 52.76 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.317 -172.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . 0.684 ' HB2' ' HG2' ' A' 1206 ' ' GLN . 6.1 Cg_exo -78.83 87.89 1.51 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.494 2.129 . . . . 0.0 110.526 170.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 51.9 p90 -63.5 -20.36 65.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.022 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' 1268 ' ' ALA . 10.1 p -70.2 -7.34 41.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.127 -179.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.697 ' O ' HG22 ' A' 1209 ' ' VAL . 11.9 pt20 -123.79 -28.18 3.86 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.404 177.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.521 ' HD2' ' HB2' ' A' 1202 ' ' ASP . 66.1 mtp180 -55.16 -26.0 35.94 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -176.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -64.48 -29.37 70.42 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' 1206 ' ' GLN . 10.5 m -74.5 -25.84 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.106 0.479 . . . . 0.0 109.995 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -80.38 -44.84 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.143 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.72 -30.33 70.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.821 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' 1216 ' ' VAL . . . -63.75 -40.6 97.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.358 175.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' 1209 ' ' VAL . 39.7 mt -65.63 -40.09 92.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . 0.439 ' C ' ' HD3' ' A' 1214 ' ' ARG . 2.7 tmt_? -59.19 -41.23 88.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -63.23 -54.12 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.972 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.459 HG13 ' CE2' ' A' 1278 ' ' PHE . 48.9 t -62.06 -45.45 98.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.003 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -61.28 -48.12 87.23 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.743 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.82 -41.94 74.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.845 0.323 . . . . 0.0 110.987 -178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . 0.478 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -62.61 -44.29 96.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.696 0.284 . . . . 0.0 111.147 -178.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . 0.503 ' HA ' HD23 ' A' 1224 ' ' LEU . 13.3 p -62.05 -36.37 81.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 111.028 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' 1217 ' ' GLY . 49.0 mtmt -74.12 -50.52 19.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 178.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -68.29 -32.67 72.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.317 -172.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.604 ' HB3' HG11 ' A' 1286 ' ' VAL . 91.2 mt -95.89 -48.39 5.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -172.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . 0.696 HD21 HD11 ' A' 1282 ' ' LEU . 3.7 mm? -77.11 -5.73 50.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.003 0.43 . . . . 0.0 111.787 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 16.5 m -145.46 161.5 39.58 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.193 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 62.01 63.41 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.665 0.603 . . . . 0.0 111.372 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 3.4 mm? 73.06 141.34 0.06 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.533 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 90.3 mt -100.22 145.64 30.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.377 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.493 ' HA ' ' HD3' ' A' 1230 ' ' PRO . 34.1 Cg_exo -60.87 117.1 3.84 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.765 2.31 . . . . 0.0 111.365 173.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 57.1 Cg_endo -108.67 39.03 0.03 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.957 3.105 . . . . 0.0 114.358 -176.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 96.9 p -152.72 -146.24 0.19 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.595 -174.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 24.0 m 74.14 -54.01 0.68 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.271 0.628 . . . . 0.0 111.934 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -143.42 174.88 23.75 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.626 -0.589 . . . . 0.0 111.626 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 3.5 m -74.01 -66.15 0.75 Allowed 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 116.828 0.314 . . . . 0.0 110.441 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 1.4 p90 -161.82 -50.46 0.04 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.533 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -70.6 -34.22 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.467 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -62.28 -32.14 72.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.591 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -68.25 -34.57 76.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.057 0.456 . . . . 0.0 110.115 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -73.82 -45.26 52.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.398 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.6 m -62.38 -36.88 83.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.302 0.572 . . . . 0.0 110.128 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -61.48 -43.28 99.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.875 175.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 42.1 tp -65.1 -38.21 89.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.108 177.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 15.4 m120 -59.05 -44.21 91.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.307 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.1 -38.69 75.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.3 0.571 . . . . 0.0 109.976 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -61.61 -42.02 98.29 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.836 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . 0.486 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -58.03 -51.77 68.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.379 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.35 71.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.215 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.11 -50.52 22.29 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.001 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . 0.451 HD12 ' HB3' ' A' 1252 ' ' ALA . 33.0 tp -66.06 -31.37 72.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.561 0.22 . . . . 0.0 110.946 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -57.5 -41.32 80.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.92 0.391 . . . . 0.0 110.183 174.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' 1254 ' ' THR . 42.1 tt0 -72.49 -38.64 68.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.294 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . 0.844 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -55.74 -46.43 77.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.952 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' 1257 ' ' VAL . . . -66.38 -38.57 87.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 110.284 175.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' 1251 ' ' GLN . 39.2 m -58.25 -40.89 82.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.484 177.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.58 -29.19 69.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.179 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.529 ' HB3' HD21 ' A' 1335 ' ' LEU . 22.4 mt -73.34 -30.9 63.64 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.397 174.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' 1253 ' ' ALA . 66.5 t -60.9 -53.84 43.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.57 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -64.68 -38.58 91.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.043 0.449 . . . . 0.0 111.023 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.83 83.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.294 -177.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . 0.461 ' HB3' HD22 ' A' 1335 ' ' LEU . 96.1 p -57.93 -32.41 67.75 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -111.97 21.88 15.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.972 0.415 . . . . 0.0 111.015 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.29 -87.79 0.96 Allowed Glycine 0 N--CA 1.436 -1.321 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 68.4 p -145.46 151.13 46.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.475 0.178 . . . . 0.0 111.225 -176.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . 0.682 ' HA ' HD12 ' A' 1267 ' ' LEU . 50.0 Cg_exo -58.91 -27.28 84.07 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.77 2.313 . . . . 0.0 111.571 173.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' 1269 ' ' ARG . 76.2 mt-30 -68.1 -42.35 80.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.507 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.33 -37.39 80.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' 1264 ' ' PRO . 45.1 mt -55.02 -47.99 74.0 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.86 174.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' 1205 ' ' THR . . . -59.47 -53.93 52.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' 1265 ' ' GLN . 19.3 mtm180 -57.49 -38.56 74.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.382 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -68.07 -41.31 82.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.074 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . 0.465 ' OG ' HG12 ' A' 1209 ' ' VAL . 34.6 m -62.56 -45.2 94.04 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 110.875 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.65 97.28 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.887 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -68.47 -42.65 78.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.514 0.197 . . . . 0.0 110.923 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . 0.844 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 68.7 t80 -57.92 -52.79 64.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.813 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -64.69 -35.76 92.32 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.213 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -69.6 -52.74 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.657 0.265 . . . . 0.0 111.131 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.85 -36.69 85.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.459 ' CE2' HG13 ' A' 1216 ' ' VAL . 88.3 t80 -59.12 -38.08 78.75 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.773 177.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 49.3 m -56.32 -50.83 70.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 10.2 m -61.76 -42.18 98.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.789 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . 0.643 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 79.8 t80 -60.11 -51.39 69.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.087 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.696 HD11 HD21 ' A' 1224 ' ' LEU . 23.1 tp -67.09 -39.56 86.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -175.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.42 -37.4 83.37 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 120.777 0.323 . . . . 0.0 110.904 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -69.94 -41.1 75.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.834 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -62.14 -47.28 90.92 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.691 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.604 HG11 ' HB3' ' A' 1223 ' ' LEU . 27.8 m -72.62 -24.53 21.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 122.578 -0.366 . . . . 0.0 111.363 -179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -63.24 -48.22 79.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.486 ' O ' ' HG3' ' A' 1291 ' ' GLN . 23.8 ptm -75.02 -25.49 58.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.719 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -61.85 -33.79 74.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.069 0.461 . . . . 0.0 110.537 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -71.7 -40.54 58.46 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.604 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' 1288 ' ' MET . 1.4 pp0? -77.91 -8.26 57.85 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 122.791 -0.24 . . . . 0.0 111.414 -176.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -52.95 128.75 47.35 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.181 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.95 -62.82 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.182 2.588 . . . . 0.0 113.096 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 77.8 p -95.22 165.81 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.017 0.436 . . . . 0.0 110.674 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.22 -23.23 61.97 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -73.43 -42.52 61.91 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.682 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -59.44 -42.72 92.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.967 0.413 . . . . 0.0 110.179 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' 1302 ' ' VAL . 42.4 ttm180 -63.73 -44.01 94.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.602 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -65.59 -36.36 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.088 0.47 . . . . 0.0 111.024 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -61.91 -40.62 96.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.337 -177.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' A' 1305 ' ' LEU . 7.1 p -79.71 -39.1 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.47 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.538 ' HA ' HD12 ' A' 1305 ' ' LEU . 62.3 t -61.52 -35.71 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -176.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 67.3 p -58.09 -46.14 86.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 111.086 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . 0.821 ' HB2' HD23 ' A' 1349 ' ' LEU . 14.6 m-80 -71.88 -31.35 66.34 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.119 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' 1301 ' ' VAL . 94.4 mt -60.5 -40.93 93.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.445 178.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -64.68 -47.02 79.94 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.29 -50.82 54.69 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.634 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -36.58 67.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.433 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 36.9 t -62.88 -51.92 65.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.648 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . 0.563 ' O ' ' HG3' ' A' 1314 ' ' LYS . 0.0 OUTLIER -62.18 -40.56 96.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 53.1 m -60.42 -37.97 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.615 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 53.3 m -63.61 -43.12 97.82 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.349 0.595 . . . . 0.0 109.971 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.63 ' O ' ' HG ' ' A' 1317 ' ' LEU . 66.7 m -60.78 -48.17 83.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.634 175.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' A' 1310 ' ' MET . 65.2 mttm -59.63 -35.52 74.54 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.031 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.571 HD22 ' HA ' ' A' 1339 ' ' ALA . 29.1 tp -65.89 -50.97 62.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.998 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' A' 1320 ' ' LYS . 91.1 mt -63.34 -30.11 71.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.493 -177.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' 1313 ' ' SER . 89.4 mt -58.46 -45.64 88.18 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.678 0.275 . . . . 0.0 110.824 177.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.47 -35.0 78.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.669 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.95 96.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.893 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . 0.499 ' HG2' ' CG2' ' A' 1209 ' ' VAL . 9.7 mtmp? -59.78 -56.27 23.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 0.0 110.668 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -61.72 -31.32 71.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.015 -177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.573 HD11 ' HD2' ' A' 1332 ' ' LYS . 20.1 tp -77.73 -16.4 58.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 -177.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 50.6 m -81.5 -31.72 32.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.362 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 26.8 p -86.56 -41.28 14.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.47 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 12.9 t70 -116.31 90.03 28.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.276 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.29 13.46 2.26 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.729 2.286 . . . . 0.0 111.676 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -100.97 -24.64 14.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.879 -175.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . 0.439 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 10.9 t -74.75 118.33 69.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 110.946 -178.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1328 ' ' SER . 24.4 Cg_exo -63.98 -45.78 9.72 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.226 2.617 . . . . 0.0 112.252 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 42.0 t30 -60.95 -28.14 68.76 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.725 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 13.5 tp -69.6 -30.32 68.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.176 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.573 ' HD2' HD11 ' A' 1322 ' ' LEU . 4.2 mptp? -70.12 -46.79 64.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.177 0.513 . . . . 0.0 109.788 172.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 7.2 m -61.26 -43.79 98.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.155 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.58 -42.61 99.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.997 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' 1256 ' ' LEU . 7.3 tt -61.91 -47.37 85.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.84 80.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.163 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -69.0 -41.17 78.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.539 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' 1342 ' ' VAL . . . -67.28 -41.91 84.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.309 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . 0.571 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.65 -36.83 81.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.131 0.491 . . . . 0.0 110.319 176.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -62.93 -43.55 98.48 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.906 175.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.44 99.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.628 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.583 ' O ' HG13 ' A' 1346 ' ' ILE . 64.3 t -63.47 -52.56 56.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.448 177.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . 0.486 ' HA ' HD12 ' A' 1346 ' ' ILE . 29.4 m -60.3 -36.65 78.39 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.134 0.493 . . . . 0.0 110.863 -177.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.16 -47.25 74.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.465 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 25.5 m -66.69 -32.31 73.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.392 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.583 HG13 ' O ' ' A' 1342 ' ' VAL . 97.0 mt -59.09 -54.27 36.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.083 0.468 . . . . 0.0 110.141 175.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -66.27 -39.24 89.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -57.93 -38.01 75.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.401 . . . . 0.0 110.689 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.821 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.1 tm? -68.06 -39.6 82.97 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' 1346 ' ' ILE . 46.2 mm -70.3 -40.89 78.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.331 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 23.6 m -64.53 -26.86 68.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.241 0.543 . . . . 0.0 110.69 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 50.4 tpp -78.63 -48.24 15.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.718 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . 0.453 ' HB3' ' HE1' ' A' 1288 ' ' MET . 55.7 m -77.49 -55.13 5.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.148 -176.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 9.8 m -86.18 79.46 9.1 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 176.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -67.66 137.23 55.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.856 -173.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -94.53 -17.5 22.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 170.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.327 177.524 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' 1201 ' ' ILE . 3.2 mp -101.67 107.83 22.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.989 0.423 . . . . 0.0 110.22 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' 1207 ' ' ARG . 6.5 p-10 -136.67 140.61 32.57 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.974 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -78.85 -176.11 3.11 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.508 2.139 . . . . 0.0 111.136 175.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . 0.524 ' HA ' ' HD2' ' A' 1207 ' ' ARG . 99.1 m-85 -80.13 58.12 2.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.829 0.823 . . . . 0.0 109.857 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' 1206 ' ' GLN . 38.5 m -143.57 125.73 15.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.596 -1.184 . . . . 0.0 108.509 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.579 ' O ' HG22 ' A' 1209 ' ' VAL . 24.3 mt-30 78.91 -29.54 0.15 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.827 0.851 . . . . 0.0 110.695 -175.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.524 ' HD2' ' HA ' ' A' 1204 ' ' PHE . 7.7 ptp180 -67.52 -17.51 64.69 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 172.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.08 -35.1 46.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.347 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.723 HG21 ' HA ' ' A' 1320 ' ' LYS . 22.9 m -59.89 -38.67 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.156 0.503 . . . . 0.0 110.376 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 20.6 t70 -84.3 -33.92 23.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.416 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 50.9 t30 -63.24 -37.89 89.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.248 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' 1216 ' ' VAL . . . -63.86 -33.61 76.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.745 177.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 1209 ' ' VAL . 70.5 mt -62.07 -34.82 77.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . 0.425 ' HA ' ' HD2' ' A' 1214 ' ' ARG . 5.7 tpt180 -65.78 -40.34 91.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.244 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.17 95.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.461 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1212 ' ' ALA . 64.3 t -63.4 -41.43 92.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.483 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.97 -49.61 66.31 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.396 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -60.98 -52.11 66.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 120.313 0.102 . . . . 0.0 111.259 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . 0.503 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -53.11 -48.57 67.73 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.353 0.408 . . . . 0.0 111.205 -175.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . 0.713 ' O ' ' HG ' ' A' 1224 ' ' LEU . 38.2 m -65.63 -55.17 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.151 -179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 64.7 mttp -67.94 -27.29 66.48 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -172.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -57.28 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.887 0.375 . . . . 0.0 110.714 176.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.799 ' HB3' HG11 ' A' 1286 ' ' VAL . 89.5 mt -72.14 -60.35 2.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -169.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' 1220 ' ' SER . 4.1 pp -78.41 5.87 9.69 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.666 -170.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 40.9 t -73.56 -63.41 1.2 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -167.68 22.61 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.231 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . 0.651 ' HB3' ' HA ' ' A' 1223 ' ' LEU . 48.4 tp -110.51 84.44 1.93 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.162 0.506 . . . . 0.0 110.473 -174.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . 0.664 HD13 ' HA2' ' A' 1290 ' ' GLY . 89.7 mt -103.04 116.47 62.36 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.538 177.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.614 ' HG2' ' HA ' ' A' 1287 ' ' GLU . 10.5 Cg_endo -53.96 142.8 63.53 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.999 2.466 . . . . 0.0 112.43 -177.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.64 127.34 25.01 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.064 2.509 . . . . 0.0 111.679 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 20.4 m -71.72 96.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.237 -176.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 1.5 p -64.29 -73.72 0.11 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.305 175.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -118.7 -45.79 0.46 Allowed Glycine 0 N--CA 1.44 -1.086 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 171.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 39.8 p 50.09 -157.05 0.09 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.698 0.799 . . . . 0.0 111.993 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 94.3 m-85 58.95 -100.39 0.11 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.223 -175.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -33.04 67.59 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.36 -41.79 96.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.244 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -67.05 -37.5 84.18 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.029 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -61.75 -47.61 84.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.457 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 32.0 m -59.78 -43.25 94.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.085 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -68.12 -43.27 78.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.023 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . 0.405 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 56.4 tp -61.34 -45.88 92.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.098 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -61.69 -37.65 84.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.677 0.275 . . . . 0.0 111.307 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.85 -50.37 56.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.293 178.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.71 76.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.247 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -60.88 -53.43 57.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.193 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -63.66 -35.43 80.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.761 -178.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -60.51 -44.3 97.88 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.532 175.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 37.4 tp -72.84 -31.42 64.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.684 0.278 . . . . 0.0 110.857 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . 0.478 ' ND2' HG23 ' A' 1343 ' ' THR . 13.1 m120 -58.81 -47.71 83.83 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.425 0.631 . . . . 0.0 109.647 174.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' 1254 ' ' THR . 0.0 OUTLIER -70.47 -33.38 71.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.864 179.484 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . 0.782 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -62.66 -40.16 96.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.744 177.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' 1257 ' ' VAL . . . -67.1 -38.09 85.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.217 0.532 . . . . 0.0 109.814 174.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' 1251 ' ' GLN . 94.5 m -59.35 -33.96 71.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.978 177.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.744 ' HG3' ' HG2' ' A' 1273 ' ' ARG . 76.5 mm-40 -55.97 -51.74 66.65 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.769 0.319 . . . . 0.0 110.295 174.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.662 ' HB3' HD11 ' A' 1335 ' ' LEU . 39.1 mt -62.31 -34.7 77.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.723 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' 1253 ' ' ALA . 93.1 t -61.04 -43.58 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 111.109 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -72.29 -33.66 67.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.17 0.51 . . . . 0.0 110.367 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . 0.742 ' HB1' HD22 ' A' 1267 ' ' LEU . . . -74.8 -25.34 58.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.164 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . 0.585 ' O ' ' HG3' ' A' 1332 ' ' LYS . 88.5 p -49.3 -28.83 5.21 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -169.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -63.82 -16.54 61.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.842 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 108.22 82.93 1.48 Allowed Glycine 0 CA--C 1.496 -1.133 0 C-N-CA 120.841 -0.695 . . . . 0.0 114.029 168.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' 1266 ' ' ASP . 73.4 p -143.63 114.43 5.6 Favored Pre-proline 0 N--CA 1.442 -0.871 0 CA-C-N 114.745 -0.727 . . . . 0.0 109.599 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.7 -48.58 18.65 Favored 'Trans proline' 0 N--CA 1.474 0.373 0 C-N-CA 123.512 2.808 . . . . 0.0 113.955 -171.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -70.37 -26.12 63.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.682 -175.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . 0.529 ' HB2' ' OG1' ' A' 1263 ' ' THR . 10.6 m-20 -80.28 -50.85 9.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.609 178.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.742 HD22 ' HB1' ' A' 1259 ' ' ALA . 3.1 mm? -51.36 -54.31 27.65 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.413 0.446 . . . . 0.0 111.212 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . 0.43 ' HB2' ' H ' ' A' 1206 ' ' GLN . . . -60.84 -47.29 87.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.354 -177.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -61.56 -44.65 96.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.191 0.519 . . . . 0.0 110.052 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.36 -34.4 77.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.271 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . 0.412 ' OG ' HG12 ' A' 1209 ' ' VAL . 27.5 m -64.03 -45.1 90.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.741 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -69.39 -37.92 80.01 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.493 -0.861 . . . . 0.0 111.533 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . 0.744 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 6.1 tpm_? -60.11 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.062 0.458 . . . . 0.0 110.534 176.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . 0.782 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 82.2 t80 -63.45 -50.02 71.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.317 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.59 -33.03 85.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.639 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -71.09 -50.65 31.45 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.711 -0.288 . . . . 0.0 110.688 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.43 -33.13 75.16 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.032 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' 1309 ' ' SER . 75.0 t80 -57.86 -44.56 86.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.164 175.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' 1283 ' ' GLU . 19.6 m -58.0 -48.6 79.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.889 179.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 25.3 m -61.57 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.156 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . 0.468 ' HE2' HG21 ' A' 1308 ' ' ILE . 86.0 t80 -61.55 -47.37 85.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.043 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.503 HD23 ' HB1' ' A' 1219 ' ' ALA . 23.2 tp -66.24 -37.91 86.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -176.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' 1279 ' ' SER . 52.3 mt-10 -64.54 -38.47 91.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.746 0.307 . . . . 0.0 110.597 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.07 85.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.209 0.528 . . . . 0.0 110.139 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . 0.609 ' O ' ' HG3' ' A' 1288 ' ' MET . . . -64.07 -44.31 96.0 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.403 177.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.799 HG11 ' HB3' ' A' 1223 ' ' LEU . 23.0 m -73.17 -24.27 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 O-C-N 122.38 -0.483 . . . . 0.0 111.066 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . 0.614 ' HA ' ' HG2' ' A' 1229 ' ' PRO . 41.1 tt0 -64.36 -45.76 86.32 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 173.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.611 ' SD ' HG21 ' A' 1301 ' ' VAL . 2.5 ppp? -73.53 -26.56 60.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.061 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -70.76 -29.24 65.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.017 0.437 . . . . 0.0 110.298 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . 0.664 ' HA2' HD13 ' A' 1228 ' ' LEU . . . -75.68 -25.51 67.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.605 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' 1288 ' ' MET . 5.3 pp0? -85.73 -11.38 53.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.745 0.273 . . . . 0.0 110.759 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -69.43 113.44 16.94 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.171 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 1.7 Cg_endo -81.88 -17.96 8.0 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 123.287 2.658 . . . . 0.0 112.654 -174.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 9.4 m -97.9 131.44 44.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.923 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -67.61 -40.69 84.7 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -174.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -69.18 -44.19 72.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.492 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -57.04 -42.82 81.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.144 0.497 . . . . 0.0 110.176 175.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' 1302 ' ' VAL . 39.3 ttp180 -67.46 -40.29 85.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.869 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.28 90.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.978 0.418 . . . . 0.0 110.421 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -65.17 -44.51 88.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.205 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.611 HG21 ' SD ' ' A' 1288 ' ' MET . 14.4 p -66.64 -31.83 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.657 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' 1298 ' ' ARG . 77.1 t -65.37 -41.4 91.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.534 0.207 . . . . 0.0 111.247 177.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 5.0 p -65.55 -27.59 68.55 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.911 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . 0.722 ' HB2' HD23 ' A' 1349 ' ' LEU . 35.4 m-20 -70.34 -42.17 72.25 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' 1301 ' ' VAL . 92.2 mt -59.94 -42.02 93.1 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.696 178.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -58.05 -46.78 84.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.608 0.242 . . . . 0.0 110.358 175.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -55.01 -48.42 67.5 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.619 -177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . 0.468 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -72.27 -37.12 57.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.395 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 61.6 m -63.0 -49.6 74.03 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.886 0.374 . . . . 0.0 111.24 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . 0.467 ' O ' ' HG3' ' A' 1314 ' ' LYS . 26.2 ptt? -67.28 -34.2 76.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.634 -177.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 50.1 m -69.19 -36.8 77.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.513 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 58.8 m -64.01 -38.68 91.97 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.551 0.691 . . . . 0.0 109.455 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.566 ' O ' ' HG ' ' A' 1317 ' ' LEU . 49.5 m -59.37 -50.42 74.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.308 175.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.607 ' HA ' HD12 ' A' 1317 ' ' LEU . 59.3 mttm -63.98 -35.29 80.2 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.272 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.567 HD22 ' HA ' ' A' 1339 ' ' ALA . 45.3 tp -63.52 -48.95 75.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.662 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.06 -31.36 72.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.645 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' 1314 ' ' LYS . 96.2 mt -62.05 -38.03 87.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.618 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.51 -38.85 74.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.306 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.66 -35.59 81.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.06 0.457 . . . . 0.0 110.487 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . 0.723 ' HA ' HG21 ' A' 1209 ' ' VAL . 18.9 ttmm -55.43 -56.83 15.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.753 174.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.18 70.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.271 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.576 HD21 ' HA ' ' A' 1260 ' ' SER . 44.5 tp -76.84 -28.42 55.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.622 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 47.4 m -72.05 -30.28 65.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.815 0.341 . . . . 0.0 110.579 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 9.2 t -93.69 -20.97 19.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.075 0.464 . . . . 0.0 110.349 177.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 9.6 t0 -132.01 85.82 49.26 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.214 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -91.78 20.62 0.85 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.725 2.283 . . . . 0.0 111.55 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -108.28 -36.31 6.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.926 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.1 m -70.78 112.04 11.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.01 -34.16 71.52 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.872 2.381 . . . . 0.0 112.772 -177.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -62.72 -25.71 68.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.121 0.486 . . . . 0.0 110.832 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 17.9 tp -78.62 -32.42 47.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.083 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.2 mptm? -63.31 -48.76 76.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.108 0.48 . . . . 0.0 110.1 175.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 49.8 m -63.34 -40.59 97.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.713 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -64.73 -41.3 96.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . 0.662 HD11 ' HB3' ' A' 1256 ' ' LEU . 2.3 tm? -58.08 -52.33 65.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -62.53 -35.83 80.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.133 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -68.39 -43.37 77.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.827 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.78 -39.78 91.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.435 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . 0.567 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -60.89 -40.73 94.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.877 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' 1336 ' ' ALA . 34.5 mmt180 -68.52 -33.82 74.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.476 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -67.1 -42.16 85.07 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' 1338 ' ' ALA . 86.8 t -60.19 -51.4 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . 0.499 ' HA ' HD12 ' A' 1346 ' ' ILE . 28.6 m -59.35 -41.14 88.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.841 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' 1348 ' ' GLN . 22.2 t70 -58.85 -48.18 82.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.549 177.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 20.9 m -61.62 -36.5 80.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.633 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.636 ' O ' HG12 ' A' 1350 ' ' ILE . 89.1 mt -57.49 -51.2 72.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.923 174.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -58.36 -39.57 79.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.353 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' 1344 ' ' ASP . 12.7 mm100 -66.12 -35.24 79.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.722 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.2 tm? -73.18 -45.04 58.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.636 HG12 ' O ' ' A' 1346 ' ' ILE . 44.0 mm -58.73 -48.73 85.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 91.0 m -57.68 -38.02 74.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.929 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 96.0 mmm -66.18 -29.19 69.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 110.815 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 21.6 m -89.58 -47.84 7.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.585 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 1.4 t -142.52 122.0 13.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.565 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -121.26 4.81 10.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.535 0.683 . . . . 0.0 109.445 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -99.09 -13.56 19.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.778 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.715 179.429 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 55.0 mt -85.51 74.88 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 173.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -145.06 146.13 29.72 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.964 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -85.76 31.54 0.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 123.189 2.593 . . . . 0.0 112.556 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 84.1 t80 -119.8 -59.43 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 177.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . 0.835 ' HA ' ' HB2' ' A' 1268 ' ' ALA . 15.2 m -57.11 -52.65 64.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.194 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -75.88 -28.61 58.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.743 -176.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -74.96 -55.43 5.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.304 -168.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . 0.675 ' HA ' ' HB3' ' A' 1211 ' ' ASN . 1.6 m-20 -63.94 -22.72 67.05 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -174.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.53 ' O ' ' HG ' ' A' 1213 ' ' LEU . 45.4 t -68.54 -38.98 79.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.419 0.628 . . . . 0.0 109.308 176.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.49 -33.71 31.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.318 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . 0.675 ' HB3' ' HA ' ' A' 1208 ' ' ASP . 31.9 t30 -56.69 -41.94 78.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.158 175.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' 1216 ' ' VAL . . . -66.74 -36.1 81.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.727 177.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' 1209 ' ' VAL . 66.2 mt -62.74 -41.49 99.22 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.554 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 60.5 ttp85 -58.3 -40.45 82.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.068 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -65.28 -51.13 62.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.485 ' HA ' ' CE2' ' A' 1278 ' ' PHE . 73.5 t -58.88 -50.82 78.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.75 -46.24 90.33 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.78 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.17 -45.51 88.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.452 0.168 . . . . 0.0 110.921 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . 0.493 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -62.4 -33.44 74.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.012 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 56.4 m -66.54 -42.58 86.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.809 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -78.68 -26.66 44.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.872 0.368 . . . . 0.0 111.043 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -76.43 -42.61 43.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.359 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.541 HD11 ' HG2' ' A' 1283 ' ' GLU . 40.9 mt -110.53 -52.69 2.76 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -171.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' A' 1224 ' ' LEU . 55.7 tp -88.36 25.77 1.59 Allowed 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 121.629 0.728 . . . . 0.0 110.963 -169.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 15.8 p -98.36 -65.78 0.94 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 19.2 t70 -149.01 -63.53 0.23 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.952 0.406 . . . . 0.0 110.692 -177.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 83.0 mt -78.29 108.19 11.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.063 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.29 160.18 32.47 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.552 176.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.427 ' HD2' HG12 ' A' 1286 ' ' VAL . 74.5 Cg_exo -51.0 145.41 24.95 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.049 2.499 . . . . 0.0 112.889 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.6 157.58 54.66 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.986 2.457 . . . . 0.0 112.493 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 20.2 m -73.28 92.25 1.77 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.291 0.567 . . . . 0.0 110.048 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 8.1 t -120.45 127.25 52.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.001 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 82.24 -159.18 38.89 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.406 -175.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 72.9 p -119.73 -178.64 3.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.04 0.42 . . . . 0.0 110.586 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -65.45 -23.77 67.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.604 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -62.17 -51.27 68.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.938 0.399 . . . . 0.0 110.401 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -62.61 -38.66 91.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.403 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.73 92.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.428 178.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . 0.5 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 36.3 tt0 -62.27 -51.88 65.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.755 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 49.4 m -61.09 -32.38 72.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.987 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -71.51 -41.07 69.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.92 -42.13 88.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.983 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -58.05 -45.29 87.27 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.28 -46.35 61.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.668 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . 0.772 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -64.01 -36.3 83.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.075 -176.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -62.12 -53.43 55.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.153 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.51 72.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.253 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -63.71 -46.24 92.48 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.9 -0.666 . . . . 0.0 111.825 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' 1278 ' ' PHE . 29.5 tp -74.98 -29.84 61.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.65 0.262 . . . . 0.0 110.644 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 10.2 m120 -59.22 -44.64 92.29 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.323 0.582 . . . . 0.0 109.74 173.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.467 ' O ' ' HB ' ' A' 1254 ' ' THR . 24.7 tm0? -71.48 -38.3 71.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.844 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . 0.737 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -60.53 -44.0 96.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.136 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' 1257 ' ' VAL . . . -65.17 -39.12 92.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.869 0.366 . . . . 0.0 110.155 176.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . 0.467 ' HB ' ' O ' ' A' 1251 ' ' GLN . 52.0 m -54.37 -41.25 68.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.884 175.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' 1251 ' ' GLN . 8.8 mm-40 -59.19 -45.34 91.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.558 ' HB3' HD21 ' A' 1335 ' ' LEU . 26.7 mt -64.73 -37.04 86.24 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 121.111 -0.235 . . . . 0.0 110.711 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' 1253 ' ' ALA . 64.7 t -57.96 -49.87 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 120.855 0.36 . . . . 0.0 110.554 177.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . 0.413 HE21 ' HB2' ' A' 1258 ' ' GLN . 17.3 mt-30 -66.81 -43.91 82.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.297 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . 0.57 ' HB1' ' HA ' ' A' 1267 ' ' LEU . . . -59.65 -39.99 86.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.095 -176.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . 0.459 ' HB3' HD13 ' A' 1335 ' ' LEU . 97.8 p -58.35 -34.06 70.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.115 0.484 . . . . 0.0 110.591 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -102.45 21.42 15.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.732 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -125.68 -99.2 1.17 Allowed Glycine 0 N--CA 1.436 -1.317 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 43.3 p -137.49 153.37 74.36 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 120.514 0.197 . . . . 0.0 110.988 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -59.07 -29.34 90.34 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.671 2.247 . . . . 0.0 111.643 174.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.34 -45.65 83.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.469 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.04 -43.28 83.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.453 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.57 ' HA ' ' HB1' ' A' 1259 ' ' ALA . 42.1 tp -56.14 -45.99 79.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.391 178.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . 0.835 ' HB2' ' HA ' ' A' 1205 ' ' THR . . . -61.11 -49.6 76.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -63.95 -36.75 85.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.905 0.384 . . . . 0.0 110.388 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.63 86.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.612 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' 1268 ' ' ALA . 37.5 m -55.76 -43.46 76.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.691 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.57 -38.42 96.27 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.249 -176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -72.1 -43.77 64.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.621 0.248 . . . . 0.0 110.508 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . 0.737 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 83.8 t80 -55.76 -50.82 69.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.426 -176.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.72 -35.55 92.17 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.408 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.74 -48.94 57.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.682 0.277 . . . . 0.0 110.932 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -33.1 74.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.093 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' 1216 ' ' VAL . 72.5 t80 -59.64 -44.76 93.39 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.711 0.291 . . . . 0.0 110.265 175.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . 0.557 ' O ' ' HG3' ' A' 1283 ' ' GLU . 47.1 m -58.27 -47.45 83.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.42 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 27.3 m -60.33 -44.51 95.42 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . 0.772 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 85.3 t80 -61.86 -45.72 92.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.979 178.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' 1286 ' ' VAL . 31.2 tp -66.29 -41.65 89.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.79 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' 1279 ' ' SER . 50.3 mt-10 -58.37 -39.54 79.85 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.764 0.316 . . . . 0.0 110.593 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -70.25 -42.14 72.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.772 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . 0.604 ' O ' ' HG3' ' A' 1288 ' ' MET . . . -61.93 -49.65 73.46 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.661 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' 1282 ' ' LEU . 10.0 t -69.15 -24.44 28.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.156 0.503 . . . . 0.0 110.007 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' 1291 ' ' GLN . 35.5 tt0 -65.94 -46.89 76.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.245 176.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.733 ' SD ' HG21 ' A' 1301 ' ' VAL . 3.8 ppp? -70.21 -28.82 65.59 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.81 73.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.113 0.482 . . . . 0.0 109.928 174.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -72.78 -28.44 67.07 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.964 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' 1287 ' ' GLU . 81.3 mm-40 -62.15 -44.96 95.46 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 175.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -62.52 116.3 22.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.499 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 5.8 Cg_exo -79.73 -32.52 1.53 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 123.16 2.573 . . . . 0.0 112.679 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 35.3 m -77.89 134.47 37.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.825 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -66.05 -41.04 91.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.378 -176.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.02 -35.71 81.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 110.608 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -73.88 -43.03 59.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.901 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.528 ' O ' HG23 ' A' 1302 ' ' VAL . 36.6 ttm180 -64.13 -52.92 56.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.285 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.82 67.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.372 -177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -64.74 -52.96 54.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.431 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.733 HG21 ' SD ' ' A' 1288 ' ' MET . 10.2 p -70.23 -29.12 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.167 -178.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.552 ' HA ' HD12 ' A' 1305 ' ' LEU . 78.7 t -64.38 -31.36 53.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.161 0.505 . . . . 0.0 110.46 175.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 49.5 m -68.09 -37.34 81.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.253 175.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . 0.622 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 49.0 m-20 -62.94 -44.51 95.86 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.597 HD23 HD11 ' A' 1349 ' ' LEU . 96.0 mt -55.95 -51.3 68.15 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.322 -178.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -64.29 -38.93 92.8 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.44 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . 0.435 ' O ' ' HG3' ' A' 1310 ' ' MET . . . -57.6 -44.79 93.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.733 -178.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . 0.443 HG21 ' HE2' ' A' 1281 ' ' PHE . 0.0 OUTLIER -77.89 -36.54 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 122.506 -0.408 . . . . 0.0 110.363 178.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . 0.424 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 56.3 m -62.22 -38.78 90.47 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.883 0.373 . . . . 0.0 111.21 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . 0.79 ' O ' ' HD3' ' A' 1314 ' ' LYS . 0.0 OUTLIER -74.03 -36.19 64.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.021 178.413 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 70.7 m -61.19 -43.19 99.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.658 0.265 . . . . 0.0 110.983 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 9.9 p -69.0 -37.37 78.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.335 0.588 . . . . 0.0 110.324 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.414 ' O ' ' HG ' ' A' 1317 ' ' LEU . 42.1 t -60.89 -52.78 63.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.515 176.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.79 ' HD3' ' O ' ' A' 1310 ' ' MET . 3.6 mptp? -64.84 -29.85 70.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.947 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.653 HD22 ' HA ' ' A' 1339 ' ' ALA . 19.1 tp -62.48 -51.95 65.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 111.038 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.487 ' O ' ' HG3' ' A' 1320 ' ' LYS . 81.7 mt -60.88 -26.66 67.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.398 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' 1314 ' ' LYS . 96.8 mt -60.35 -35.26 75.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 178.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -71.28 -33.38 69.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.949 0.404 . . . . 0.0 110.242 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -68.04 -33.95 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.692 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' 1316 ' ' LEU . 41.3 mtpt -58.55 -54.04 51.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.04 177.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -67.0 -33.18 75.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.196 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.435 HD11 ' NZ ' ' A' 1332 ' ' LYS . 34.7 tp -70.15 -23.75 63.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.06 -177.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 50.5 m -78.14 -23.28 47.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.972 0.415 . . . . 0.0 110.178 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 35.7 m -83.01 -52.14 6.93 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.626 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . 0.402 ' HB3' ' OG ' ' A' 1328 ' ' SER . 0.5 OUTLIER -123.16 88.46 51.14 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.941 176.428 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -76.24 -15.48 18.08 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 123.069 2.513 . . . . 0.0 113.549 -171.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -91.37 2.33 56.48 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . 0.402 ' OG ' ' HB3' ' A' 1325 ' ' ASP . 4.8 m -72.94 112.22 14.52 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.134 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -60.28 -53.15 3.2 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.461 2.774 . . . . 0.0 113.75 -174.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -70.93 -18.12 62.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.14 0.495 . . . . 0.0 110.909 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . . . . . . . . . 15.2 tp -70.99 -25.27 62.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.764 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.435 ' NZ ' HD11 ' A' 1322 ' ' LEU . 4.9 mptp? -71.01 -50.89 29.19 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.079 173.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 5.1 p -64.44 -35.06 79.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.501 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -61.27 -44.06 97.86 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.877 0.37 . . . . 0.0 110.278 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . 0.558 HD21 ' HB3' ' A' 1256 ' ' LEU . 7.0 tt -66.19 -45.09 82.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.876 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -59.09 -41.64 88.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.989 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.75 78.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' 1342 ' ' VAL . . . -68.47 -41.23 80.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.777 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . 0.653 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -64.89 -35.49 81.31 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.165 0.507 . . . . 0.0 110.249 177.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -64.13 -41.7 97.11 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.88 175.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.47 96.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.673 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' 1338 ' ' ALA . 61.4 t -56.56 -50.09 74.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.853 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 39.5 m -58.82 -45.53 89.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.315 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -64.07 -38.68 91.93 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.476 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 73.8 m -68.73 -38.3 80.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.724 0.297 . . . . 0.0 110.962 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' 1342 ' ' VAL . 92.3 mt -59.15 -49.23 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 173.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -56.01 -45.22 79.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.755 176.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -55.93 -41.86 75.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.804 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.597 HD11 HD23 ' A' 1305 ' ' LEU . 0.5 OUTLIER -67.25 -39.71 86.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.563 HD11 ' HB2' ' A' 1246 ' ' ALA . 38.5 mm -71.19 -38.26 69.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.202 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 15.6 m -62.81 -30.54 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.195 0.521 . . . . 0.0 110.573 177.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 23.9 mmt -80.14 -46.04 17.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.139 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 40.8 t -72.6 -53.85 10.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.148 0.499 . . . . 0.0 111.09 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 17.0 m -101.9 89.38 3.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.245 0.545 . . . . 0.0 110.087 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -88.07 107.93 18.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.482 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . 0.812 ' HA ' HE21 ' A' 1356 ' ' GLN . 0.0 OUTLIER -92.28 -24.06 19.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.361 174.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.692 178.336 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 44.0 pt -118.06 176.99 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.54 0.209 . . . . 0.0 110.596 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . 0.487 ' OD2' ' HG3' ' A' 1207 ' ' ARG . 23.0 t70 -133.07 106.73 12.44 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.943 178.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' 1202 ' ' ASP . 18.3 Cg_endo -60.7 -52.29 3.93 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.466 2.11 . . . . 0.0 111.21 178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . 0.452 ' HD1' ' HD2' ' A' 1207 ' ' ARG . 41.3 t80 -176.55 75.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.168 173.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . 0.479 ' HB ' ' OD1' ' A' 1202 ' ' ASP . 34.0 m -132.6 -62.28 0.83 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.659 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.691 ' O ' HG22 ' A' 1209 ' ' VAL . 27.6 mt-30 -63.46 -28.77 70.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.142 0.496 . . . . 0.0 109.798 175.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.487 ' HG3' ' OD2' ' A' 1202 ' ' ASP . 40.5 mtt180 -63.28 -18.48 63.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.358 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' A' 1205 ' ' THR . 1.0 OUTLIER -62.96 -40.56 98.06 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.446 0.165 . . . . 0.0 111.253 177.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' 1206 ' ' GLN . 16.0 m -73.75 -30.16 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.955 0.407 . . . . 0.0 110.106 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -73.81 -44.47 55.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.555 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.36 -39.84 88.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.129 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.8 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.628 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' 1209 ' ' VAL . 41.3 mt -63.07 -38.22 90.32 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.912 177.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -67.03 -41.12 87.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.455 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -55.96 -45.0 79.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.509 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.566 HG13 ' CE2' ' A' 1278 ' ' PHE . 47.8 t -70.16 -40.23 77.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.426 176.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.34 -45.72 92.6 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.12 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -65.56 -44.27 87.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.609 -0.348 . . . . 0.0 110.535 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . 0.482 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -63.34 -42.71 98.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.597 -177.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . 0.458 ' HA ' HD23 ' A' 1224 ' ' LEU . 8.4 p -63.74 -37.62 88.06 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.211 -0.196 . . . . 0.0 111.458 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -78.63 -31.71 47.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.014 0.435 . . . . 0.0 111.576 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -71.96 -42.85 66.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.912 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.609 ' HB3' ' CG1' ' A' 1286 ' ' VAL . 48.8 mt -98.22 -59.78 1.68 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.592 -171.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . 0.529 HD12 HG13 ' A' 1302 ' ' VAL . 3.3 mm? -71.76 96.31 1.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.121 0.486 . . . . 0.0 109.875 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 5.9 p -151.01 176.55 11.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.687 -174.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -92.07 -41.93 10.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 4.5 tt -100.49 89.6 4.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 175.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 3.7 pp -110.67 144.04 29.43 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.775 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -51.77 141.55 44.28 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.025 2.483 . . . . 0.0 112.23 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.09 63.55 6.07 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.971 2.448 . . . . 0.0 112.95 -176.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . 0.447 ' O ' ' HA3' ' A' 1290 ' ' GLY . 17.4 p -78.78 99.97 6.92 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . 0.804 HG23 ' HA ' ' A' 1291 ' ' GLN . 11.9 m -132.9 81.03 1.92 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.946 0.403 . . . . 0.0 111.472 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -89.81 -171.15 44.67 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.199 171.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 38.0 p -80.86 156.96 25.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.057 0.429 . . . . 0.0 110.111 177.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . 0.444 ' HA ' ' OE1' ' A' 1291 ' ' GLN . 45.2 p90 -59.04 -30.95 68.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.787 0.327 . . . . 0.0 111.112 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -72.22 -49.57 34.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.387 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.62 -35.77 81.79 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.92 0.391 . . . . 0.0 110.499 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -69.83 -47.82 61.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.863 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.8 -47.39 82.72 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.631 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 9.0 t -61.38 -36.85 81.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.958 0.408 . . . . 0.0 110.352 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -72.79 -46.66 52.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.553 0.692 . . . . 0.0 109.649 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . 0.441 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 48.8 tp -64.04 -41.67 97.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.082 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -64.77 -38.24 90.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.156 0.503 . . . . 0.0 110.035 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.71 -48.65 76.24 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.099 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.56 95.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.651 -177.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . 0.454 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -56.66 -51.77 67.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.926 -177.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.2 75.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.522 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.69 -39.39 77.52 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.152 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 31.3 tp -73.39 -30.09 63.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.56 0.219 . . . . 0.0 110.651 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -56.46 -46.6 80.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.05 0.452 . . . . 0.0 110.094 174.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.556 ' O ' ' HG2' ' A' 1255 ' ' GLU . 51.3 tp60 -73.15 -29.64 63.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.412 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -60.67 -45.03 95.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.865 0.364 . . . . 0.0 110.413 178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.71 80.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.459 0.647 . . . . 0.0 109.905 174.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . 0.513 ' HB ' ' O ' ' A' 1251 ' ' GLN . 43.6 m -58.89 -40.08 83.36 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.148 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' 1251 ' ' GLN . 57.2 mm-40 -60.57 -41.57 94.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.524 ' HB3' HD21 ' A' 1335 ' ' LEU . 34.3 mt -63.74 -37.02 85.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.61 0.243 . . . . 0.0 111.05 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 53.2 t -64.29 -46.21 93.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.04 0.447 . . . . 0.0 110.418 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -63.62 -33.99 76.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.299 0.571 . . . . 0.0 110.456 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -69.62 -30.37 68.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.078 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . 0.412 ' HB3' ' HG3' ' A' 1332 ' ' LYS . 45.5 m -60.51 -36.57 78.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.163 0.506 . . . . 0.0 110.483 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -99.95 20.23 14.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.241 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -121.19 -97.63 1.54 Allowed Glycine 0 N--CA 1.439 -1.142 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . . . . . . . . . 43.0 p -145.66 155.24 52.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.738 0.269 . . . . 0.0 110.897 -177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . 0.794 ' HA ' HD12 ' A' 1267 ' ' LEU . 9.3 Cg_endo -55.07 -34.99 89.32 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.008 2.472 . . . . 0.0 112.032 172.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -72.07 -33.31 67.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.709 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.11 -39.6 71.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' 1264 ' ' PRO . 35.1 mt -53.95 -48.37 70.33 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.591 172.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.69 67.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.386 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -63.45 -37.15 86.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 0.0 110.271 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.87 78.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.769 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . 0.522 ' OG ' HG12 ' A' 1209 ' ' VAL . 21.0 m -64.98 -40.77 95.46 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.97 -38.06 95.51 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.077 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . 0.544 ' HA ' ' HE ' ' A' 1273 ' ' ARG . 0.3 OUTLIER -71.66 -50.86 26.63 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 177.547 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . 0.591 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 84.0 t80 -56.95 -51.3 69.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.401 -177.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.32 -44.05 98.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.152 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . 0.416 ' HA ' ' OE1' ' A' 1276 ' ' GLN . 6.7 tp60 -72.12 -39.65 68.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -176.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.61 -38.49 77.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.296 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.566 ' CE2' HG13 ' A' 1216 ' ' VAL . 63.8 t80 -55.16 -39.58 69.68 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.334 177.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 14.3 t -53.69 -49.86 67.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.973 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 31.7 m -63.78 -37.97 89.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.261 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . 0.454 ' HE2' HG21 ' A' 1308 ' ' ILE . 85.2 t80 -63.21 -50.62 69.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.92 177.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.482 HD23 ' HB1' ' A' 1219 ' ' ALA . 26.0 tp -65.24 -36.87 85.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 -176.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . 0.47 ' O ' HG22 ' A' 1286 ' ' VAL . 43.6 mt-10 -65.32 -27.63 68.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -76.06 -25.53 55.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.209 0.528 . . . . 0.0 110.428 175.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -66.5 -34.54 88.02 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.644 -0.707 . . . . 0.0 113.014 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.609 ' CG1' ' HB3' ' A' 1223 ' ' LEU . 34.2 m -72.48 -23.34 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.872 0.336 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.44 -36.41 84.08 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.539 ' O ' ' HG2' ' A' 1291 ' ' GLN . 68.0 mmm -72.18 -50.33 28.56 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.577 176.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . 0.402 ' HA ' HG11 ' A' 1301 ' ' VAL . . . -63.28 -33.61 75.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.254 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' 1231 ' ' SER . . . -77.34 -22.7 69.94 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.213 -0.518 . . . . 0.0 112.963 -178.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.804 ' HA ' HG23 ' A' 1232 ' ' THR . 3.5 pt20 -89.8 0.03 57.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.078 0.466 . . . . 0.0 110.216 178.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . 0.45 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -93.25 111.42 51.86 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.827 175.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 6.5 Cg_exo -74.49 -43.09 0.52 Allowed 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.212 2.608 . . . . 0.0 112.666 -176.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 9.4 m -72.98 129.18 37.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.107 -178.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -61.14 -37.62 83.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.322 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -66.11 -44.41 84.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.006 0.431 . . . . 0.0 110.389 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.52 -41.23 93.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.156 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' 1302 ' ' VAL . 40.9 ttm180 -62.87 -43.49 98.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.321 176.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -62.97 -38.35 90.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.532 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -61.0 -48.64 80.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.283 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.402 HG11 ' HA ' ' A' 1289 ' ' ALA . 12.3 p -68.53 -32.74 56.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 120.682 0.277 . . . . 0.0 110.709 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.529 HG13 HD12 ' A' 1224 ' ' LEU . 42.9 t -67.82 -31.54 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.395 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 55.7 m -54.82 -40.99 70.13 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.723 0.297 . . . . 0.0 111.25 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . 0.804 ' HB2' HD23 ' A' 1349 ' ' LEU . 2.6 m-80 -73.57 -36.39 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' 1302 ' ' VAL . 97.4 mt -59.64 -48.2 82.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.313 178.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -62.03 -46.48 88.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.964 175.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -54.17 -49.46 59.52 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.335 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' 1308 ' ' ILE . 0.0 OUTLIER -74.21 -35.48 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 110.464 -0.198 . . . . 0.0 110.464 -178.173 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . 0.542 ' HA ' ' CZ ' ' A' 1278 ' ' PHE . 28.1 t -66.69 -39.29 88.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.055 0.455 . . . . 0.0 110.887 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . 0.424 ' O ' ' HG3' ' A' 1314 ' ' LYS . 54.9 mtt -77.47 -39.89 44.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.119 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 64.3 m -65.3 -35.46 81.07 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.061 -0.255 . . . . 0.0 111.2 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 10.5 p -68.12 -38.14 81.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.138 0.494 . . . . 0.0 110.086 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.552 ' O ' ' HG ' ' A' 1317 ' ' LEU . 71.0 m -57.78 -50.6 72.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.149 173.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.51 ' HA ' HD12 ' A' 1317 ' ' LEU . 57.5 mttm -65.0 -31.97 73.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.043 -178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . . . . . . . . . 41.3 tp -64.31 -49.04 73.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.068 0.461 . . . . 0.0 110.608 176.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' 1320 ' ' LYS . 81.5 mt -66.23 -30.31 70.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' 1313 ' ' SER . 93.0 mt -61.18 -41.37 96.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.835 0.35 . . . . 0.0 110.476 175.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -65.05 -36.4 84.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.322 177.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.88 82.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.959 178.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . 0.583 ' HG2' ' CG2' ' A' 1209 ' ' VAL . 5.7 mtpm? -57.33 -55.24 37.28 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.405 0.621 . . . . 0.0 110.071 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.47 87.6 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.163 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . . . . . . . . . 23.4 tp -70.17 -27.42 64.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.139 -177.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . 0.495 ' HA ' ' HB3' ' A' 1264 ' ' PRO . 50.3 m -73.77 -28.75 61.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.863 0.363 . . . . 0.0 110.578 176.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 34.7 p -88.21 -30.52 19.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 110.97 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 23.2 t0 -134.28 86.06 37.03 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.941 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -87.77 10.72 3.38 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 122.592 2.194 . . . . 0.0 112.491 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -103.9 -5.11 22.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.128 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 67.3 m -85.68 113.41 51.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.057 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.96 -43.08 16.78 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.784 2.323 . . . . 0.0 112.631 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 6.1 t30 -64.49 -30.63 71.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.008 0.432 . . . . 0.0 110.637 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' 1331 ' ' LEU . 12.1 tp -66.59 -33.88 76.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.55 -178.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.412 ' HG3' ' HB3' ' A' 1260 ' ' SER . 2.4 mptm? -65.14 -46.22 81.79 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.113 0.482 . . . . 0.0 110.298 173.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 19.2 m -66.13 -37.08 84.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.09 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -64.71 -45.36 86.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' 1256 ' ' LEU . 9.0 tt -60.56 -44.09 96.54 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.07 77.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.029 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -70.24 -35.3 73.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 110.783 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' 1342 ' ' VAL . . . -72.23 -40.42 67.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.469 176.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . . . . . . . . . . . -61.83 -36.97 82.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.1 0.476 . . . . 0.0 110.461 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -58.68 -46.39 87.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.942 173.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -62.76 -43.4 98.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.836 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' 1346 ' ' ILE . 85.0 t -61.87 -53.02 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.515 178.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . 0.503 ' HA ' HD12 ' A' 1346 ' ' ILE . 27.4 m -61.86 -38.84 89.75 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.046 0.45 . . . . 0.0 110.688 -177.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.93 -50.25 74.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.825 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 54.0 m -68.35 -29.73 68.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.387 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.608 ' O ' HG12 ' A' 1350 ' ' ILE . 95.1 mt -58.73 -54.83 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.094 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 174.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -68.03 -38.75 82.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.846 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -57.03 -37.95 72.47 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.037 0.446 . . . . 0.0 110.644 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -67.97 -46.78 70.43 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.387 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' 1346 ' ' ILE . 40.9 mm -61.08 -44.66 98.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.295 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 87.4 m -49.61 -50.31 43.26 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.642 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 18.2 ptp -80.54 -27.37 37.6 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.411 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 98.7 m -67.26 -49.56 63.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.536 0.208 . . . . 0.0 111.538 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . 0.401 HG22 ' O ' ' A' 1350 ' ' ILE . 13.2 t -79.48 127.73 32.48 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 49.3 tt0 64.59 -89.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.576 -171.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 4.9 pt20 174.49 170.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.847 173.788 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 5.7 tp -156.06 -54.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.583 0.192 . . . . 0.0 111.052 176.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . 0.492 ' HA ' ' HD3' ' A' 1203 ' ' PRO . 21.8 m-20 -128.79 142.27 44.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 120.645 0.26 . . . . 0.0 110.742 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' 1202 ' ' ASP . 8.3 Cg_exo -72.51 115.9 4.51 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.793 2.328 . . . . 0.0 111.624 176.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 44.5 p90 -67.02 167.26 12.13 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . . . . . . . . . 20.3 m 83.22 -22.46 0.24 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.449 0.7 . . . . 0.0 110.112 -174.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -113.87 -42.9 3.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.1 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -75.43 -17.93 60.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.587 -177.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.41 -42.22 66.79 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.806 ' HB ' ' HG2' ' A' 1320 ' ' LYS . 33.1 m -63.7 -28.82 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.034 0.445 . . . . 0.0 111.042 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -82.91 -45.02 14.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.675 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -60.94 -33.06 72.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.11 98.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.342 175.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . 0.553 HD11 ' HD2' ' A' 1320 ' ' LYS . 42.7 mt -66.55 -32.49 73.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 178.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -64.89 -48.59 73.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.982 175.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -59.23 -47.96 83.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.447 HG13 ' CE2' ' A' 1278 ' ' PHE . 97.2 t -62.0 -36.88 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.015 0.436 . . . . 0.0 110.147 176.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -63.75 -45.49 94.24 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.561 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -55.21 -49.91 70.74 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.15 0.5 . . . . 0.0 110.32 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . 0.78 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -64.2 -40.58 96.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.916 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . 0.559 ' O ' ' HB2' ' A' 1224 ' ' LEU . 50.0 m -67.17 -32.21 73.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.929 0.395 . . . . 0.0 111.03 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . . . . . . . . . 84.6 tttt -76.75 -43.85 35.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.889 0.376 . . . . 0.0 110.814 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -69.03 -53.29 21.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.157 0.503 . . . . 0.0 111.559 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.777 ' HB3' HG21 ' A' 1286 ' ' VAL . 56.5 mt -91.24 -42.79 10.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.746 -165.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' 1220 ' ' SER . 3.9 mm? -78.22 68.8 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.561 0.696 . . . . 0.0 110.632 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 59.3 p -166.59 -167.6 1.02 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.926 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.99 89.48 4.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.312 0.577 . . . . 0.0 109.747 175.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 56.8 tp -147.64 114.97 6.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.088 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . 0.673 ' HB2' ' HA2' ' A' 1290 ' ' GLY . 3.7 pp -141.09 134.42 14.61 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.124 176.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.984 ' HD2' ' HA3' ' A' 1290 ' ' GLY . 50.5 Cg_exo -57.53 109.88 0.54 Allowed 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.599 2.2 . . . . 0.0 111.04 170.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -88.22 18.27 1.53 Allowed 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.839 2.359 . . . . 0.0 113.781 -170.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 4.4 t -164.22 166.19 21.27 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.346 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 69.0 p 55.58 -165.84 0.11 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.024 0.93 . . . . 0.0 112.58 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . 0.456 ' HA3' ' NE2' ' A' 1291 ' ' GLN . . . 91.58 122.75 2.86 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.746 178.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 24.2 p -93.19 6.19 48.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.884 0.373 . . . . 0.0 110.598 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 87.4 t80 69.24 -58.1 0.51 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.567 -177.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -62.53 -33.94 75.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.624 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.89 -38.56 79.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.168 0.508 . . . . 0.0 110.29 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.59 76.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.066 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . 0.411 ' NE2' HG23 ' A' 1354 ' ' THR . 14.2 tt0 -62.93 -42.72 99.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.661 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 22.6 m -58.1 -36.28 72.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.195 0.522 . . . . 0.0 110.628 176.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -67.29 -36.15 80.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.316 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . 0.584 HD22 ' HB1' ' A' 1284 ' ' ALA . 3.7 mm? -60.29 -36.33 77.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.097 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . 0.402 HD22 ' N ' ' A' 1243 ' ' ASN . 1.0 OUTLIER -65.69 -47.41 75.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.99 0.424 . . . . 0.0 110.583 -176.107 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.46 -44.37 78.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.774 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -67.55 -36.96 81.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.59 -177.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.19 95.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.208 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.17 86.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.743 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -64.25 -49.47 65.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.082 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . 0.447 HD12 ' HB3' ' A' 1252 ' ' ALA . 34.4 tp -70.68 -31.32 68.17 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.827 -0.22 . . . . 0.0 110.818 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -52.71 -51.29 61.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.324 0.583 . . . . 0.0 109.726 173.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.473 ' O ' ' HG3' ' A' 1255 ' ' GLU . 52.1 tt0 -69.51 -36.4 76.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.766 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . 0.681 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -57.76 -47.53 82.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.969 178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' 1257 ' ' VAL . . . -64.98 -40.26 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.028 0.442 . . . . 0.0 110.223 175.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.4 m -55.59 -40.75 72.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.161 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' 1251 ' ' GLN . 36.0 mt-10 -67.64 -30.25 69.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.297 -178.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' 1256 ' ' LEU . 9.4 mt -70.1 -37.21 75.32 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.658 0.266 . . . . 0.0 110.306 173.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' 1253 ' ' ALA . 21.9 t -61.99 -56.98 14.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.765 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -65.17 -30.98 71.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.337 -176.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.53 69.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.905 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . 0.559 ' HB2' ' HG3' ' A' 1332 ' ' LYS . 95.9 p -65.26 -27.53 68.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.874 0.368 . . . . 0.0 111.284 -176.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -101.17 11.91 38.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -119.92 -69.39 0.31 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.327 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' 1264 ' ' PRO . 2.0 t -164.95 142.85 5.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.825 0.345 . . . . 0.0 111.082 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . 0.685 ' HA ' HD12 ' A' 1267 ' ' LEU . 54.2 Cg_exo -55.51 -24.66 45.38 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.203 2.602 . . . . 0.0 112.26 175.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -69.49 -30.6 68.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.458 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . . . . . . . . . 26.1 t0 -80.42 -31.13 37.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.76 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' 1264 ' ' PRO . 79.2 mt -57.2 -35.71 69.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.35 172.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' 1271 ' ' SER . . . -66.69 -48.57 68.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.624 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -57.92 -45.36 86.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.207 176.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -63.63 -35.53 80.83 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.137 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' 1268 ' ' ALA . 36.0 m -57.39 -49.74 75.21 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.981 175.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -66.67 -41.78 93.69 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.331 -0.937 . . . . 0.0 111.656 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . 0.436 ' HG2' ' OE2' ' A' 1255 ' ' GLU . 15.7 tpp180 -59.83 -52.41 65.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.794 0.33 . . . . 0.0 111.021 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . 0.681 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 74.3 t80 -58.24 -51.33 70.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.235 -176.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -63.5 -34.66 90.54 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.773 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.15 -52.34 19.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.778 0.323 . . . . 0.0 110.761 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.18 -32.07 72.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.099 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.447 ' CE2' HG13 ' A' 1216 ' ' VAL . 76.7 t80 -60.63 -42.21 96.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.725 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 50.2 m -58.47 -40.41 82.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.835 -178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 41.6 m -69.1 -41.3 77.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . 0.481 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 90.7 t80 -65.25 -45.86 82.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.192 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.78 HD23 ' HB1' ' A' 1219 ' ' ALA . 27.4 tp -63.44 -42.38 98.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.263 -175.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . 0.496 ' HG2' HD11 ' A' 1223 ' ' LEU . 43.2 mt-10 -61.82 -33.37 74.02 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.756 0.312 . . . . 0.0 111.03 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . 0.584 ' HB1' HD22 ' A' 1242 ' ' LEU . . . -63.94 -41.57 97.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.747 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -64.91 -37.26 94.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.233 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.777 HG21 ' HB3' ' A' 1223 ' ' LEU . 56.4 t -65.61 -33.24 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.595 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' 1291 ' ' GLN . 6.3 tp10 -58.08 -46.33 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.435 ' CE ' ' HB3' ' A' 1353 ' ' CYS . 57.1 mtp -64.19 -42.65 96.56 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.658 177.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -57.56 -33.4 68.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.32 179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . 0.984 ' HA3' ' HD2' ' A' 1229 ' ' PRO . . . -76.85 -29.1 57.83 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.174 177.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' 1287 ' ' GLU . 15.4 mm100 -76.03 -16.42 59.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.763 0.316 . . . . 0.0 110.824 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . 0.469 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -60.92 136.02 93.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 32.1 Cg_exo -58.89 -51.4 6.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.939 2.426 . . . . 0.0 112.705 -177.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 40.3 t -106.56 153.59 22.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -60.95 -28.23 68.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.972 174.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -69.14 -29.74 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.243 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . 0.407 ' HB2' ' HB1' ' A' 1292 ' ' ALA . 65.9 m-20 -80.19 -35.83 35.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.542 175.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' 1302 ' ' VAL . 38.5 ttp180 -54.46 -50.81 66.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.101 173.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.02 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.254 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -63.15 -45.42 91.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.729 0.299 . . . . 0.0 110.471 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.43 ' O ' ' HG ' ' A' 1305 ' ' LEU . 21.4 t -68.58 -40.74 82.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.006 0.431 . . . . 0.0 110.414 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.538 ' HA ' HD12 ' A' 1305 ' ' LEU . 98.3 t -67.48 -35.07 72.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.737 -178.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 6.1 p -69.38 -29.31 67.05 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.151 -0.343 . . . . 0.0 110.954 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -67.04 -44.14 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 172.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' 1302 ' ' VAL . 93.8 mt -59.4 -36.28 75.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -55.11 -42.51 73.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.774 -0.193 . . . . 0.0 111.083 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -58.39 -43.88 95.51 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.511 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.67 -36.28 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 122.685 -0.303 . . . . 0.0 110.506 -178.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 50.5 m -63.27 -51.35 66.48 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.761 0.315 . . . . 0.0 110.987 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . 0.578 ' HB3' ' HE2' ' A' 1314 ' ' LYS . 44.1 mtt -60.46 -45.47 93.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 49.8 m -60.49 -37.15 80.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 63.9 m -61.99 -45.05 95.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.528 0.68 . . . . 0.0 110.157 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.502 ' O ' ' HG ' ' A' 1317 ' ' LEU . 43.4 t -59.26 -52.74 64.37 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.51 176.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.578 ' HE2' ' HB3' ' A' 1310 ' ' MET . 56.8 mttm -65.55 -30.91 71.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.624 -175.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' 1339 ' ' ALA . 27.8 tp -64.84 -47.86 76.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.939 0.4 . . . . 0.0 110.392 174.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.66 ' O ' ' HG3' ' A' 1320 ' ' LYS . 77.5 mt -60.18 -35.32 75.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.636 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' 1313 ' ' SER . 93.3 mt -59.71 -40.5 88.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.729 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -68.77 -36.97 78.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.22 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.07 98.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.616 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . 0.806 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 44.6 mtpt -57.41 -50.54 72.67 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.236 0.541 . . . . 0.0 110.338 176.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.98 92.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.916 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.52 HD11 ' HE2' ' A' 1332 ' ' LYS . 26.7 tp -73.44 -32.99 64.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.225 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 43.6 m -71.19 -14.37 62.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.024 0.44 . . . . 0.0 110.659 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 9.5 p -115.83 2.2 13.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 30.4 t70 -155.54 63.91 3.8 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.342 0.591 . . . . 0.0 109.406 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -84.94 -3.85 9.73 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.892 2.395 . . . . 0.0 113.912 -169.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -91.33 3.23 55.4 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.931 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 44.6 m -98.83 106.35 36.85 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.715 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 23.3 Cg_exo -64.37 -30.82 62.98 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.066 2.511 . . . . 0.0 112.375 -176.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -70.73 -27.51 64.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.776 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' 1322 ' ' LEU . 17.1 tp -72.37 -27.77 62.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.126 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.559 ' HG3' ' HB2' ' A' 1260 ' ' SER . 1.1 mptm? -65.35 -44.91 86.2 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 171.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 14.3 m -58.55 -45.49 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.585 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -63.05 -45.36 92.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.031 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.14 -44.18 95.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.17 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.91 86.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -70.29 -39.86 74.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' 1342 ' ' VAL . . . -65.71 -42.61 90.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.261 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . 0.513 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -65.05 -34.94 79.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.743 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -60.66 -43.08 98.06 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.793 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -64.11 -39.66 94.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.933 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' 1346 ' ' ILE . 72.6 t -65.56 -52.74 47.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.559 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . 0.484 ' HA ' HD12 ' A' 1346 ' ' ILE . 19.7 m -60.75 -40.77 93.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.722 -177.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 36.2 t70 -62.62 -40.2 96.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.58 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.2 m -71.65 -31.09 66.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.28 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' 1342 ' ' VAL . 81.8 mt -60.7 -53.43 49.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 121.254 0.55 . . . . 0.0 109.779 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -66.72 -39.43 87.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.635 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -56.83 -43.74 81.35 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 176.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.33 -47.86 82.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.479 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.464 HD12 ' HB3' ' A' 1242 ' ' LEU . 35.3 mm -65.16 -48.55 83.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.003 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 36.1 m -56.28 -37.51 69.93 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.914 0.387 . . . . 0.0 111.252 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.1 tpt -79.94 -48.03 14.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.287 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . 0.435 ' HB3' ' CE ' ' A' 1288 ' ' MET . 73.1 m -73.1 -29.65 63.08 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . 0.411 HG23 ' NE2' ' A' 1239 ' ' GLN . 25.6 m -72.11 -14.79 61.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.789 0.804 . . . . 0.0 110.095 177.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -104.28 10.09 35.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.855 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -80.8 80.88 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.277 0.56 . . . . 0.0 109.989 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.464 -177.336 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 42.6 mm -76.43 -17.08 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.134 0.492 . . . . 0.0 110.346 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . 0.433 ' HB3' ' HD3' ' A' 1207 ' ' ARG . 11.0 m-20 -77.8 111.37 17.36 Favored Pre-proline 0 C--O 1.234 0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.06 175.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' 1202 ' ' ASP . 11.2 Cg_exo -70.85 145.5 51.02 Favored 'Trans proline' 0 C--O 1.239 0.574 0 C-N-CA 122.861 2.374 . . . . 0.0 112.239 -176.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 2.9 p90 -72.9 69.67 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.951 0.881 . . . . 0.0 110.688 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . . . . . . . . . 33.7 m -156.56 -47.51 0.07 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.548 -1.205 . . . . 0.0 108.509 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.656 ' O ' HG22 ' A' 1209 ' ' VAL . 78.9 mt-30 -81.46 -28.46 34.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.38 176.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.433 ' HD3' ' HB3' ' A' 1202 ' ' ASP . 22.8 mmm180 -60.83 -26.44 67.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.725 -179.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.23 -33.94 77.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' 1206 ' ' GLN . 18.6 m -75.75 -29.67 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.765 -178.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.37 -40.43 21.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.686 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 10.3 t30 -64.05 -37.11 86.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.306 177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.19 79.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.486 176.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . 0.498 HD11 ' HE2' ' A' 1320 ' ' LYS . 16.0 mt -67.23 -37.7 84.0 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.923 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -62.34 -44.89 95.43 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -58.45 -55.48 34.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.085 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.504 HG13 ' CE2' ' A' 1278 ' ' PHE . 62.0 t -65.7 -47.77 84.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.388 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -64.58 -48.54 72.0 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.182 -0.533 . . . . 0.0 113.055 -176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . 0.599 ' O ' ' HG2' ' A' 1222 ' ' ARG . 32.6 t70 -69.29 -33.98 74.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.935 0.368 . . . . 0.0 110.516 -177.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . 0.425 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -62.84 -44.1 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 177.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . 0.552 ' O ' HD23 ' A' 1224 ' ' LEU . 27.4 m -63.69 -25.6 68.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.995 0.426 . . . . 0.0 110.568 178.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' 1218 ' ' ASP . 24.6 mtpp -78.8 -56.3 4.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.029 176.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' 1218 ' ' ASP . 24.7 mmt180 -65.38 -48.45 72.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.235 0.54 . . . . 0.0 111.619 -175.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.689 ' HB3' HG21 ' A' 1286 ' ' VAL . 88.4 mt -79.69 4.85 14.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.329 -0.85 . . . . 0.0 113.289 -163.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' 1220 ' ' SER . 0.9 OUTLIER -59.22 -38.87 80.99 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 167.124 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 18.7 m 58.82 99.45 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 114.688 -1.142 . . . . 0.0 112.723 171.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.52 -19.29 63.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.685 175.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 63.8 tp -122.08 106.55 11.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.845 176.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' 1229 ' ' PRO . 93.8 mt -78.56 142.36 61.84 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.791 178.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.48 ' HA ' ' HD3' ' A' 1230 ' ' PRO . 24.4 Cg_exo -63.86 109.11 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.717 2.278 . . . . 0.0 110.763 173.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 25.1 Cg_exo -62.39 90.08 0.12 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.094 2.529 . . . . 0.0 113.566 -170.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . 0.645 ' HA ' ' HA ' ' A' 1291 ' ' GLN . 39.5 m 46.04 55.7 6.86 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.908 0.755 . . . . 0.0 111.702 176.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 18.8 m -85.97 88.14 7.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.571 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . 104.94 -142.32 15.46 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -176.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . 0.401 ' H ' ' HB3' ' A' 1237 ' ' GLU . 19.5 p -142.7 175.33 9.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -70.23 -29.09 65.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -70.56 -39.02 74.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.047 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . 0.401 ' HB3' ' H ' ' A' 1234 ' ' THR . 11.1 tp10 -62.72 -47.04 85.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.985 176.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -70.02 -21.34 63.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.208 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . 0.405 ' CD ' HG23 ' A' 1354 ' ' THR . 49.6 tt0 -62.18 -45.31 93.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.719 -0.218 . . . . 0.0 110.813 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 7.2 m -60.92 -31.9 71.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.458 0.646 . . . . 0.0 110.298 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -80.14 -47.97 13.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.068 -175.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . 0.5 ' HB3' HD12 ' A' 1350 ' ' ILE . 3.5 mm? -63.65 -32.77 74.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.185 177.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -57.98 -50.8 72.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.824 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -66.09 -44.18 85.15 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.714 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . 0.501 ' HB1' ' HA ' ' A' 1281 ' ' PHE . . . -61.53 -46.18 91.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.855 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . 0.561 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -62.96 -52.01 64.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.036 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.13 -42.53 81.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.195 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -65.17 -43.25 95.76 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.25 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 28.8 tp -69.66 -31.48 69.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.748 0.309 . . . . 0.0 110.663 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -61.85 -43.3 99.12 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.029 0.443 . . . . 0.0 110.513 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -71.95 -35.08 69.49 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . 0.82 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -60.6 -41.27 94.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.927 177.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' 1257 ' ' VAL . . . -65.81 -38.69 89.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.18 0.514 . . . . 0.0 109.882 174.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 90.1 m -62.13 -35.12 77.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.746 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' 1252 ' ' ALA . 5.1 mm-40 -54.01 -48.64 70.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.7 175.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.835 ' HB3' HD21 ' A' 1335 ' ' LEU . 59.4 mt -64.3 -40.63 96.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.786 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' 1253 ' ' ALA . 92.1 t -59.87 -50.79 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-O 120.768 0.318 . . . . 0.0 111.796 -178.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -68.37 -26.75 65.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.179 0.514 . . . . 0.0 110.685 -177.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -79.62 -24.61 41.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.705 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . 0.511 ' O ' HD21 ' A' 1322 ' ' LEU . 48.1 m -50.73 -25.24 4.11 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -172.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 70.4 mtt-85 -62.05 -27.88 69.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.89 0.376 . . . . 0.0 110.349 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . 120.99 90.18 1.12 Allowed Glycine 0 CA--C 1.499 -0.909 0 CA-C-N 115.817 -0.628 . . . . 0.0 113.435 171.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . 0.528 HG23 ' HB2' ' A' 1266 ' ' ASP . 0.1 OUTLIER -153.77 119.05 2.78 Favored Pre-proline 0 N--CA 1.442 -0.851 0 CA-C-N 114.626 -0.787 . . . . 0.0 109.094 175.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' 1263 ' ' THR . 31.2 Cg_exo -59.02 -45.04 30.42 Favored 'Trans proline' 0 CA--C 1.522 -0.091 0 C-N-CA 123.207 2.605 . . . . 0.0 112.874 -171.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -68.55 -33.02 73.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.079 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . 0.528 ' HB2' HG23 ' A' 1263 ' ' THR . 5.7 m-20 -72.64 -45.96 56.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.976 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . . . . . . . . . 44.9 mt -65.83 -33.08 75.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.06 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.52 80.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.097 0.475 . . . . 0.0 110.713 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 36.8 ttp-105 -65.65 -42.22 91.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.324 0.583 . . . . 0.0 109.788 176.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.11 96.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.787 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 1.5 p -62.87 -40.31 97.11 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.791 0.329 . . . . 0.0 111.176 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -72.1 -34.41 61.56 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.962 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -69.47 -50.85 41.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.118 0.485 . . . . 0.0 110.363 176.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . 0.82 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 59.3 t80 -60.21 -48.8 80.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.424 -175.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -65.94 -30.13 76.44 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.765 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -77.37 -38.41 50.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.827 0.346 . . . . 0.0 111.233 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.33 -32.66 43.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.262 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.504 ' CE2' HG13 ' A' 1216 ' ' VAL . 71.8 t80 -58.59 -48.16 81.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.479 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . 0.517 ' O ' ' HG3' ' A' 1283 ' ' GLU . 39.0 p -57.01 -47.41 80.92 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.51 -176.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 23.3 m -60.32 -40.91 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . 0.501 ' HA ' ' HB1' ' A' 1245 ' ' ALA . 89.4 t80 -61.42 -48.02 83.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.601 178.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' 1286 ' ' VAL . 23.0 tp -70.5 -40.34 73.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.096 -176.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' 1279 ' ' SER . 58.9 mt-10 -57.25 -47.7 80.73 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.047 0.451 . . . . 0.0 110.407 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -67.96 -32.89 73.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.016 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -61.03 -35.32 90.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.838 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' 1223 ' ' LEU . 43.5 t -67.03 -37.64 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 177.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -63.5 -42.8 98.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.688 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.719 ' HA ' ' HG2' ' A' 1291 ' ' GLN . 3.6 ppp? -74.18 -26.11 60.09 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.777 178.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -69.77 -28.88 66.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.021 0.438 . . . . 0.0 109.998 174.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -77.0 -16.89 80.38 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.173 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.719 ' HG2' ' HA ' ' A' 1288 ' ' MET . 74.2 mm-40 -63.61 -31.48 72.65 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . . . . . . . . . . . -76.77 116.74 59.51 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.482 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.7 7.89 4.93 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.821 2.347 . . . . 0.0 112.116 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 2.3 p -130.13 146.09 51.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.344 -177.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . 0.441 ' HA ' ' HB3' ' A' 1298 ' ' ARG . 43.2 mt-30 -89.42 -15.36 33.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -168.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.88 -35.56 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 173.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.8 -43.46 83.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.477 170.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' 1302 ' ' VAL . 69.3 ttt180 -53.42 -56.39 17.24 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.875 177.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -59.43 -34.62 72.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.543 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -70.09 -35.46 74.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -176.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.465 HG21 ' SD ' ' A' 1288 ' ' MET . 14.3 p -80.89 -31.3 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.369 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' 1298 ' ' ARG . 73.9 t -63.59 -29.83 48.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.833 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 17.2 m -52.75 -47.55 67.36 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.746 174.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . 0.596 ' HB2' HD23 ' A' 1349 ' ' LEU . 17.1 m-80 -67.58 -40.17 84.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.922 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' 1302 ' ' VAL . 96.2 mt -60.26 -48.77 80.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -59.76 -48.19 82.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.564 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -53.25 -53.3 35.3 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.519 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' A' 1345 ' ' SER . 0.0 OUTLIER -68.9 -39.79 80.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.763 -177.469 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . 0.411 ' HA ' ' CE1' ' A' 1278 ' ' PHE . 47.2 m -64.15 -46.56 83.56 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.732 0.301 . . . . 0.0 111.194 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . 0.5 ' O ' ' HG3' ' A' 1314 ' ' LYS . 45.8 mtt -66.94 -46.33 75.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.078 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 69.5 m -61.12 -36.2 79.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.517 0.199 . . . . 0.0 110.995 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 66.0 m -66.18 -40.55 90.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.333 0.587 . . . . 0.0 110.103 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.543 ' O ' ' HG ' ' A' 1317 ' ' LEU . 65.9 m -61.11 -48.42 81.73 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.363 175.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' 1310 ' ' MET . 61.2 mttm -61.86 -34.59 76.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.739 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.418 ' HG ' HD13 ' A' 1256 ' ' LEU . 49.0 tp -64.23 -45.8 86.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.853 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' 1320 ' ' LYS . 83.5 mt -69.4 -33.89 73.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.238 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' 1313 ' ' SER . 97.7 mt -60.71 -41.7 95.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 110.173 176.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.72 82.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.53 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.6 98.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.471 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . 0.553 ' HG2' ' HB ' ' A' 1209 ' ' VAL . 8.0 mtmp? -61.9 -47.8 83.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.24 0.543 . . . . 0.0 110.425 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . 0.439 ' C ' HD21 ' A' 1331 ' ' LEU . . . -60.68 -31.37 70.62 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.693 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.511 HD21 ' O ' ' A' 1260 ' ' SER . 34.8 tp -82.26 -32.58 29.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.994 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 23.5 t -67.62 -29.05 68.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.159 0.504 . . . . 0.0 109.793 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 6.3 p -90.01 -40.94 12.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.987 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -122.59 83.07 47.89 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.765 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . 0.435 ' HA ' HD12 ' A' 1322 ' ' LEU . 76.1 Cg_endo -88.69 14.27 2.32 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 122.528 2.152 . . . . 0.0 112.635 -178.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -104.61 -11.56 16.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' A' 1329 ' ' PRO . 2.8 p -84.51 118.74 71.81 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 121.123 0.487 . . . . 0.0 111.197 -177.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' 1328 ' ' SER . 36.4 Cg_exo -60.63 -41.53 46.69 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.111 2.541 . . . . 0.0 112.673 -175.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -69.5 -24.62 63.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.015 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . 0.439 HD21 ' C ' ' A' 1321 ' ' ALA . 12.0 tp -71.27 -35.53 71.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.18 -178.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' 1260 ' ' SER . 1.7 mptm? -55.34 -57.1 13.23 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.545 0.688 . . . . 0.0 110.198 173.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 26.2 m -71.18 -26.96 63.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.744 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -64.44 -43.15 95.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.183 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . 0.835 HD21 ' HB3' ' A' 1256 ' ' LEU . 7.0 tt -67.15 -46.38 74.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.766 179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.17 76.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.368 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -71.46 -36.85 71.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' 1342 ' ' VAL . . . -66.13 -40.81 90.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.674 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . 0.406 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -64.79 -40.0 94.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.509 177.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -58.8 -39.05 79.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.136 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.29 85.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.624 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' 1346 ' ' ILE . 90.7 t -59.03 -52.36 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.78 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 83.3 m -56.28 -41.01 75.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.146 0.498 . . . . 0.0 110.638 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.12 -44.76 95.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.106 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . 0.44 ' HB2' ' HB ' ' A' 1308 ' ' ILE . 3.9 p -70.62 -31.75 68.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.395 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' 1342 ' ' VAL . 80.2 mt -59.44 -48.63 86.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.081 0.467 . . . . 0.0 109.751 174.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -58.26 -41.52 84.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.967 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -64.99 -37.58 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.496 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.596 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -67.39 -45.46 76.17 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.671 HG22 ' HB2' ' A' 1355 ' ' GLN . 42.8 mm -63.88 -41.89 94.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.397 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . 0.729 ' HA ' ' HB3' ' A' 1355 ' ' GLN . 41.3 m -62.73 -39.1 93.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.522 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 16.0 tpt -63.12 -37.3 86.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.963 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 23.8 t -60.57 -70.01 0.2 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.187 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . 0.405 HG23 ' CD ' ' A' 1239 ' ' GLN . 9.1 t -177.09 32.51 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.356 0.598 . . . . 0.0 110.956 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . 0.729 ' HB3' ' HA ' ' A' 1351 ' ' THR . 7.3 tp60 -84.43 106.76 16.26 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 177.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -123.74 144.06 49.9 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.711 -175.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.733 178.721 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 41.6 mm -77.91 74.6 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . 0.494 ' OD2' ' HB2' ' A' 1204 ' ' PHE . 4.7 p-10 -152.07 157.89 33.96 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.652 -177.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' 1202 ' ' ASP . 11.5 Cg_endo -55.4 -20.51 26.2 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.407 2.738 . . . . 0.0 114.048 -177.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . 0.559 ' O ' ' HB3' ' A' 1207 ' ' ARG . 95.4 m-85 -84.07 46.9 1.24 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.023 0.44 . . . . 0.0 110.53 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . 0.45 ' HA ' ' OD1' ' A' 1208 ' ' ASP . 6.2 m -69.31 159.03 33.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.712 177.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' 1205 ' ' THR . 93.3 mt-30 76.91 -38.46 0.31 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.559 0.744 . . . . 0.0 109.99 -177.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.559 ' HB3' ' O ' ' A' 1204 ' ' PHE . 0.8 OUTLIER -59.17 -26.2 64.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.429 172.157 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . 0.45 ' OD1' ' HA ' ' A' 1205 ' ' THR . 5.0 m-20 -51.31 -43.65 61.73 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.191 177.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.747 ' O ' ' HG ' ' A' 1213 ' ' LEU . 41.2 t -62.71 -54.55 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.618 -177.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.78 -36.7 83.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.084 0.468 . . . . 0.0 110.846 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 38.4 t30 -64.74 -49.68 69.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.411 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.07 97.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.597 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . 0.747 ' HG ' ' O ' ' A' 1209 ' ' VAL . 11.6 mt -60.77 -43.34 98.16 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.065 0.459 . . . . 0.0 110.153 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -68.27 -45.87 71.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.419 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -53.24 -48.77 67.94 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.013 -175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.517 HG13 ' CE2' ' A' 1278 ' ' PHE . 70.7 t -58.41 -46.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.654 0.264 . . . . 0.0 111.542 -177.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . . . . . . . . . . . -74.03 -47.4 18.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.335 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.15 -46.61 86.39 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.228 0.211 . . . . 0.0 111.473 -176.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . . . . . . . . . . . -63.05 -38.84 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.546 0.212 . . . . 0.0 111.088 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . . . . . . . . . 49.0 m -62.56 -43.75 98.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.953 0.406 . . . . 0.0 110.509 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . 0.532 ' HA ' ' HB2' ' A' 1225 ' ' SER . 58.6 mtpt -74.49 -35.54 63.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.316 -178.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -77.5 -36.66 52.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.372 -0.376 . . . . 0.0 112.013 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.457 HD22 ' HG2' ' A' 1229 ' ' PRO . 86.9 mt -92.67 -59.35 2.09 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -173.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . . . . . . . . . 3.7 pp -109.85 15.18 22.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -167.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . 0.532 ' HB2' ' HA ' ' A' 1221 ' ' LYS . 38.7 t -84.43 -60.3 2.12 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.003 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -131.2 -62.54 0.88 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.161 0.505 . . . . 0.0 111.13 -172.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 64.6 tp -92.49 114.07 26.52 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.121 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . . . . . . . . . 90.7 mt -89.11 120.2 69.85 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.222 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.613 ' HD2' HG11 ' A' 1286 ' ' VAL . 53.9 Cg_exo -53.36 146.96 38.67 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.81 2.34 . . . . 0.0 111.775 176.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -48.43 103.99 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.696 2.931 . . . . 0.0 113.225 -175.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . 0.751 ' HB3' ' HA ' ' A' 1287 ' ' GLU . 19.4 m -131.35 114.85 15.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.61 178.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 5.3 m -149.03 28.25 0.84 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.456 0.646 . . . . 0.0 110.561 -177.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . 0.588 ' HA3' ' HG2' ' A' 1237 ' ' GLU . . . -78.58 -42.59 13.6 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 174.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 82.4 p 62.32 151.25 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.772 1.229 . . . . 0.0 114.285 171.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 54.1 t80 40.22 -91.38 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.334 1.454 . . . . 0.0 113.856 176.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.34 -38.56 84.18 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.999 -174.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . 0.588 ' HG2' ' HA3' ' A' 1233 ' ' GLY . 15.7 tp10 -67.7 -49.74 61.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.364 178.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -65.07 -43.11 93.26 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.302 -175.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . 0.404 ' HA ' ' SG ' ' A' 1353 ' ' CYS . 63.9 tt0 -59.26 -56.92 15.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.803 -176.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 15.9 p -67.18 -35.06 78.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.006 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -68.03 -45.09 74.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.858 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . 0.504 ' HG ' ' CD1' ' A' 1350 ' ' ILE . 61.6 tp -63.26 -44.43 95.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.841 179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -63.18 -35.25 79.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.697 0.284 . . . . 0.0 111.617 -178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.68 -47.97 42.92 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.844 0.354 . . . . 0.0 110.31 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.49 98.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.196 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . 0.477 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -61.73 -46.05 91.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.337 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -61.14 -31.63 71.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.863 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -71.31 -42.82 56.38 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.546 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . 0.407 HD21 HD11 ' A' 1308 ' ' ILE . 37.9 tp -69.02 -34.62 75.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.483 0.182 . . . . 0.0 110.978 -178.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -54.9 -46.75 74.87 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 120.961 0.41 . . . . 0.0 110.159 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.415 ' O ' ' HB ' ' A' 1254 ' ' THR . 24.1 tt0 -72.56 -32.29 65.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.335 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . 0.912 ' HB1' ' HA ' ' A' 1274 ' ' PHE . . . -61.3 -44.36 97.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.683 177.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . . . . . . . . . . . -64.01 -39.09 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.97 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . 0.512 ' O ' ' HG2' ' A' 1258 ' ' GLN . 92.9 m -57.94 -40.99 81.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.782 175.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.692 ' HG3' ' HG2' ' A' 1273 ' ' ARG . 5.5 mm-40 -56.91 -42.71 80.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.296 178.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.452 ' HB3' HD21 ' A' 1335 ' ' LEU . 18.5 mt -65.47 -35.42 80.86 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 121.069 -0.253 . . . . 0.0 110.867 177.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . . . . . . . . . 59.2 t -64.65 -47.05 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.086 0.469 . . . . 0.0 110.239 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' 1254 ' ' THR . 14.9 mm100 -61.12 -41.36 96.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.176 178.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . 0.456 ' HA ' ' OD2' ' A' 1266 ' ' ASP . . . -74.77 -27.25 60.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.715 -177.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . 0.521 ' HA ' HD21 ' A' 1322 ' ' LEU . 33.7 t -57.23 -34.9 69.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.399 0.618 . . . . 0.0 110.249 177.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -96.13 18.15 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.398 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -122.43 -122.61 2.82 Favored Glycine 0 N--CA 1.436 -1.363 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' 1264 ' ' PRO . 68.3 p -140.83 167.55 17.21 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.929 0.364 . . . . 0.0 111.295 -175.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . 0.559 ' HA ' ' HB2' ' A' 1267 ' ' LEU . 84.6 Cg_exo -51.83 -28.49 31.03 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.865 2.377 . . . . 0.0 112.972 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -64.34 -50.45 67.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.762 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . 0.456 ' OD2' ' HA ' ' A' 1259 ' ' ALA . 3.3 p-10 -79.54 -25.62 41.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.559 ' HB2' ' HA ' ' A' 1264 ' ' PRO . 21.2 mt -59.53 -37.31 78.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.494 170.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.48 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -51.41 -47.66 62.9 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.38 0.609 . . . . 0.0 110.361 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . 0.4 ' CB ' HD23 ' A' 1256 ' ' LEU . . . -60.52 -40.1 90.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.247 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . . . . . . . . . 15.5 m -65.22 -44.57 87.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.728 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -62.48 -40.79 99.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.714 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . 0.692 ' HG2' ' HG3' ' A' 1255 ' ' GLU . 16.5 tpp180 -65.24 -48.02 74.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 110.469 176.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . 0.912 ' HA ' ' HB1' ' A' 1252 ' ' ALA . 51.2 t80 -63.05 -52.34 63.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.346 -176.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -62.29 -37.98 95.48 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.107 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.3 -52.73 17.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.689 0.28 . . . . 0.0 111.185 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.12 -29.8 69.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.537 ' CE2' HD11 ' A' 1282 ' ' LEU . 89.8 t80 -63.09 -43.46 98.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.541 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 22.7 m -62.2 -39.77 93.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.465 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 15.0 m -63.44 -39.46 94.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.317 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 83.5 t80 -63.41 -42.4 98.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.343 176.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.537 HD11 ' CE2' ' A' 1278 ' ' PHE . 24.1 mt -61.24 -45.01 96.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.01 -38.67 89.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.736 0.303 . . . . 0.0 110.866 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -65.52 -36.38 83.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.33 176.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -63.52 -41.93 99.07 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.83 176.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.613 HG11 ' HD2' ' A' 1229 ' ' PRO . 98.5 t -62.65 -41.36 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.818 0.342 . . . . 0.0 110.391 177.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . 0.751 ' HA ' ' HB3' ' A' 1231 ' ' SER . 17.2 tp10 -55.75 -46.39 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.626 177.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.632 ' O ' ' HG2' ' A' 1291 ' ' GLN . 7.9 ptm -78.86 -24.78 44.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.963 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . . . . . . . . . . . -68.31 -26.69 65.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.93 0.395 . . . . 0.0 110.103 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . . . . . . . . . . . -69.68 -34.27 72.46 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.763 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . 0.632 ' HG2' ' O ' ' A' 1288 ' ' MET . 25.5 pt20 -77.96 -8.12 57.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.604 0.24 . . . . 0.0 110.854 -177.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . 0.456 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -62.89 117.37 31.74 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.744 -179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 15.4 Cg_exo -68.82 -56.77 0.15 Allowed 'Trans proline' 0 N--CA 1.463 -0.282 0 C-N-CA 123.062 2.508 . . . . 0.0 111.971 -177.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 5.8 m -85.73 149.79 25.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.021 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -65.46 -34.18 77.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.66 -33.8 75.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.465 176.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.41 -43.65 73.0 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.449 ' O ' HG23 ' A' 1302 ' ' VAL . 38.7 ttp-105 -65.25 -33.59 76.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.185 177.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -67.21 -44.63 79.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.576 176.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.42 -47.37 86.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.268 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.659 ' O ' ' HG ' ' A' 1305 ' ' LEU . 10.6 p -61.21 -40.36 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.564 -178.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.469 ' HA ' HD12 ' A' 1305 ' ' LEU . 71.8 t -64.07 -33.16 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-O 120.651 0.263 . . . . 0.0 110.87 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 54.8 m -58.91 -48.13 82.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.84 176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . 0.654 ' HB2' HD23 ' A' 1349 ' ' LEU . 39.2 m-80 -64.75 -38.83 92.33 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.146 0.498 . . . . 0.0 109.955 177.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' 1301 ' ' VAL . 93.5 mt -62.4 -39.11 92.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.741 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -70.57 -36.55 73.67 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 120.646 -0.422 . . . . 0.0 109.917 174.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.85 77.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.001 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . 0.407 HD11 HD21 ' A' 1249 ' ' LEU . 0.0 OUTLIER -75.02 -37.85 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 122.807 -0.231 . . . . 0.0 110.389 178.678 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . . . . . . . . . 40.0 t -61.19 -49.39 77.37 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 110.596 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . 0.72 ' O ' ' HG2' ' A' 1314 ' ' LYS . 62.9 mtp -57.33 -51.19 70.39 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.54 178.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 23.3 m -55.79 -39.89 71.91 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.388 0.43 . . . . 0.0 110.66 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . 0.419 ' HB3' ' CE2' ' A' 1274 ' ' PHE . 49.5 m -66.52 -40.68 89.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.476 0.655 . . . . 0.0 109.932 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.519 ' O ' ' HG ' ' A' 1317 ' ' LEU . 50.7 m -61.62 -48.05 82.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.537 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.72 ' HG2' ' O ' ' A' 1310 ' ' MET . 65.0 mmtt -63.18 -38.49 91.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.175 0.512 . . . . 0.0 110.018 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.616 HD22 ' HA ' ' A' 1339 ' ' ALA . 40.7 tp -60.16 -44.29 95.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.945 177.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.722 ' HB3' HD22 ' A' 1213 ' ' LEU . 49.9 mt -73.0 -26.75 61.44 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -178.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' 1313 ' ' SER . 90.6 mt -64.49 -34.78 79.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.081 0.467 . . . . 0.0 109.896 174.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -69.25 -41.58 76.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.849 174.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.92 82.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.965 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -56.93 -48.97 77.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.129 0.49 . . . . 0.0 110.237 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.93 68.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.871 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.531 HD11 ' HE2' ' A' 1332 ' ' LYS . 29.2 tp -75.64 -32.17 60.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.511 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 12.6 p -78.79 -12.97 60.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 1.3 p -100.26 -34.02 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.695 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -131.45 82.71 61.1 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.271 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -81.41 -1.05 10.85 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.469 2.112 . . . . 0.0 112.583 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -96.52 -0.28 49.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.392 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . 0.497 ' CB ' HD13 ' A' 1331 ' ' LEU . 55.6 m -93.72 109.14 39.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.57 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . 0.625 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 33.8 Cg_endo -64.85 -29.2 58.68 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.845 2.363 . . . . 0.0 112.51 -176.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -62.67 -32.78 73.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.707 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . 0.497 HD13 ' CB ' ' A' 1328 ' ' SER . 10.7 mp -70.39 -26.96 63.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.19 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.625 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 0.8 OUTLIER -64.8 -43.1 94.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.003 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 16.1 m -70.52 -41.02 73.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.312 175.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . 0.431 ' HB3' ' HA ' ' A' 1331 ' ' LEU . 7.9 tt0 -53.58 -48.08 69.54 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.727 177.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . 0.48 HD22 ' HB2' ' A' 1260 ' ' SER . 9.8 tt -68.81 -47.48 65.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.495 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' 1340 ' ' ARG . . . -55.98 -40.61 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.705 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.35 91.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.899 0.38 . . . . 0.0 110.969 -178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' 1342 ' ' VAL . . . -72.06 -36.31 69.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.711 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -61.45 -39.8 92.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' 1336 ' ' ALA . 30.2 mmt180 -71.59 -32.17 67.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.201 178.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.7 87.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.407 176.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.602 ' O ' HG13 ' A' 1346 ' ' ILE . 98.0 t -58.52 -52.3 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.122 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . 0.608 ' HA ' HD12 ' A' 1346 ' ' ILE . 17.4 m -60.29 -36.29 77.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.76 -177.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.88 -46.35 88.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.135 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 50.8 m -69.04 -27.13 65.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.494 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' 1343 ' ' THR . 85.8 mt -62.88 -54.99 26.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.58 0.229 . . . . 0.0 110.679 178.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 13.1 p30 -68.48 -28.44 67.03 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.494 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -59.7 -38.05 80.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.404 176.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.654 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.0 tm? -75.73 -37.53 59.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' 1346 ' ' ILE . 49.3 mm -60.21 -38.13 76.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.601 177.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 85.5 m -59.75 -31.45 69.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.891 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 25.0 mmt -76.4 -28.2 56.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' 1239 ' ' GLN . 45.7 t -74.19 -39.61 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.208 0.528 . . . . 0.0 110.019 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 27.6 p -87.83 174.43 8.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.494 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 52.12 84.12 0.05 Allowed 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.665 0.603 . . . . 0.0 112.048 175.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.8 84.84 0.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 176.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.024 -177.525 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1200 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.68 -0.568 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1201 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.25 125.82 74.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.368 0.604 . . . . 0.0 110.319 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1202 ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' 1203 ' ' PRO . 25.3 t0 -160.07 110.96 1.41 Allowed Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.108 178.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1203 ' ' PRO . . . . . 0.451 ' HD2' ' NH2' ' A' 1207 ' ' ARG . 51.7 Cg_exo -55.13 107.56 0.24 Allowed 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.404 2.736 . . . . 0.0 114.209 -174.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1204 ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -112.0 179.81 3.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.463 172.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1205 ' ' THR . . . . . . . . . . . . . 7.0 m 70.13 20.17 6.46 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.77 0.795 . . . . 0.0 109.761 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1206 ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -162.56 -45.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.835 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1207 ' ' ARG . . . . . 0.451 ' NH2' ' HD2' ' A' 1203 ' ' PRO . 31.3 ttm180 -72.08 -51.01 23.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.882 0.372 . . . . 0.0 110.086 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1208 ' ' ASP . . . . . 0.587 ' OD2' ' HA ' ' A' 1268 ' ' ALA . 0.8 OUTLIER -50.6 -41.88 55.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.185 178.794 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1209 ' ' VAL . . . . . 0.45 HG13 ' OD2' ' A' 1208 ' ' ASP . 36.0 m -78.41 -29.91 15.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.202 -174.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1210 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.61 -38.98 20.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 111.017 177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1211 ' ' ASN . . . . . . . . . . . . . 52.3 t30 -64.9 -32.93 74.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.186 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1212 ' ' ALA . . . . . 0.43 ' HB1' HD13 ' A' 1316 ' ' LEU . . . -58.24 -42.71 86.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.103 173.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1213 ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.91 -39.92 96.0 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.363 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1214 ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -63.07 -44.65 95.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.47 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1215 ' ' ALA . . . . . . . . . . . . . . . -61.27 -48.91 79.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.78 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1216 ' ' VAL . . . . . 0.596 HG13 ' CE2' ' A' 1278 ' ' PHE . 94.5 t -62.36 -44.64 99.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.846 178.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1217 ' ' GLY . . . . . 0.543 ' O ' ' HG3' ' A' 1221 ' ' LYS . . . -64.09 -46.4 91.28 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.367 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1218 ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.53 -31.05 71.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.743 0.306 . . . . 0.0 111.168 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1219 ' ' ALA . . . . . 0.529 ' HB1' HD23 ' A' 1282 ' ' LEU . . . -66.79 -40.35 88.09 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1220 ' ' SER . . . . . 0.563 ' O ' ' HB2' ' A' 1224 ' ' LEU . 27.6 m -66.05 -30.87 71.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.347 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1221 ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' 1217 ' ' GLY . 63.6 mttp -68.44 -54.35 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.992 0.425 . . . . 0.0 110.75 177.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1222 ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -68.92 -39.96 79.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.813 -175.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1223 ' ' LEU . . . . . 0.788 ' HB3' HG11 ' A' 1286 ' ' VAL . 29.9 mt -101.66 -46.65 4.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -166.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1224 ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' A' 1220 ' ' SER . 3.4 mm? -70.05 91.54 0.69 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.154 0.502 . . . . 0.0 111.843 -172.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1225 ' ' SER . . . . . . . . . . . . . 31.3 p -165.22 -173.94 3.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.289 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1226 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -92.35 6.58 46.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.813 0.34 . . . . 0.0 110.745 178.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1227 ' ' LEU . . . . . . . . . . . . . 82.4 mt -77.35 111.68 13.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.986 177.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1228 ' ' LEU . . . . . 0.481 ' HA ' ' HD3' ' A' 1229 ' ' PRO . 3.3 pp -92.27 130.1 38.92 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.349 -177.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1229 ' ' PRO . . . . . 0.787 ' HG2' ' HA ' ' A' 1287 ' ' GLU . 5.1 Cg_exo -75.45 142.29 26.38 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.912 2.408 . . . . 0.0 111.751 176.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1230 ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' 1229 ' ' PRO . 22.9 Cg_exo -64.55 154.11 73.71 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.684 2.256 . . . . 0.0 111.089 176.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1231 ' ' SER . . . . . . . . . . . . . 44.0 m -80.0 99.67 7.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.783 0.325 . . . . 0.0 111.16 -176.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1232 ' ' THR . . . . . . . . . . . . . 18.2 m -77.27 -44.79 28.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.935 0.398 . . . . 0.0 110.213 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1233 ' ' GLY . . . . . . . . . . . . . . . -111.68 -120.44 3.93 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1234 ' ' THR . . . . . . . . . . . . . 11.0 p -129.41 173.18 10.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.995 0.426 . . . . 0.0 110.606 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1235 ' ' PHE . . . . . . . . . . . . . 49.4 t80 -68.31 -39.87 81.86 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1236 ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -64.48 -38.3 90.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.957 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1237 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.04 -44.28 97.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.374 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1238 ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.98 95.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.673 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1239 ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -63.22 -42.62 99.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.695 177.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1240 ' ' SER . . . . . . . . . . . . . 43.2 t -59.5 -42.97 93.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.094 0.473 . . . . 0.0 110.285 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1241 ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.23 -40.92 98.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.908 178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1242 ' ' LEU . . . . . 0.527 ' HB3' HD12 ' A' 1350 ' ' ILE . 9.1 mt -62.83 -43.01 99.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.909 177.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1243 ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -57.58 -34.42 69.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.185 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1244 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -77.47 -51.67 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1245 ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.64 93.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.901 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1246 ' ' ALA . . . . . 0.524 ' HB2' HD11 ' A' 1350 ' ' ILE . . . -59.76 -49.84 76.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.993 -178.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1247 ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.28 79.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.248 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1248 ' ' GLY . . . . . . . . . . . . . . . -69.79 -45.17 59.41 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.341 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1249 ' ' LEU . . . . . . . . . . . . . 37.5 tp -66.64 -33.67 76.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.589 0.233 . . . . 0.0 110.807 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1250 ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -57.05 -43.96 82.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.301 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1251 ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' A' 1255 ' ' GLU . 48.5 tt0 -72.76 -32.15 65.43 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.422 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1252 ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.86 77.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.953 0.406 . . . . 0.0 110.418 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1253 ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' 1257 ' ' VAL . . . -67.87 -39.12 83.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.096 0.474 . . . . 0.0 110.162 173.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1254 ' ' THR . . . . . . . . . . . . . 29.1 m -62.56 -34.85 77.77 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.693 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1255 ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' 1251 ' ' GLN . 33.7 mm-40 -57.2 -47.63 80.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.291 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1256 ' ' LEU . . . . . 0.675 ' HB3' HD21 ' A' 1335 ' ' LEU . 36.1 mt -60.93 -40.51 93.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.742 177.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1257 ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' 1253 ' ' ALA . 58.3 t -58.26 -51.39 71.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.869 0.366 . . . . 0.0 110.691 177.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1258 ' ' GLN . . . . . 0.4 HE21 ' HA ' ' A' 1255 ' ' GLU . 42.0 mt-30 -60.04 -49.9 75.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.702 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1259 ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.46 80.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.461 -175.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1260 ' ' SER . . . . . 0.476 ' HB3' HD13 ' A' 1335 ' ' LEU . 96.9 p -60.65 -31.98 71.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.003 0.43 . . . . 0.0 111.378 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1261 ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -101.66 9.28 41.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.633 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1262 ' ' GLY . . . . . . . . . . . . . . . -116.0 -71.49 0.48 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.212 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1263 ' ' THR . . . . . 0.429 HG23 ' HB2' ' A' 1266 ' ' ASP . 1.9 t -159.45 138.49 8.07 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.954 0.407 . . . . 0.0 111.177 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1264 ' ' PRO . . . . . 0.689 ' HA ' HD12 ' A' 1267 ' ' LEU . 52.8 Cg_exo -55.9 -26.0 55.7 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.459 2.773 . . . . 0.0 112.454 175.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1265 ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -70.77 -28.68 64.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.526 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1266 ' ' ASP . . . . . 0.429 ' HB2' HG23 ' A' 1263 ' ' THR . 11.8 t70 -80.73 -34.15 34.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1267 ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' 1264 ' ' PRO . 49.3 mt -56.64 -34.73 67.58 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.783 174.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1268 ' ' ALA . . . . . 0.587 ' HA ' ' OD2' ' A' 1208 ' ' ASP . . . -56.35 -45.94 80.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.261 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1269 ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -70.71 -41.54 71.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.922 0.391 . . . . 0.0 110.218 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1270 ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.44 92.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.88 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1271 ' ' SER . . . . . 0.442 ' OG ' HG12 ' A' 1209 ' ' VAL . 51.4 m -60.66 -49.5 77.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.24 176.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1272 ' ' GLY . . . . . . . . . . . . . . . -63.76 -34.94 91.29 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.078 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1273 ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -71.18 -55.91 7.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1274 ' ' PHE . . . . . 0.489 ' HZ ' HG11 ' A' 1342 ' ' VAL . 76.1 t80 -54.76 -48.59 72.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.633 -174.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1275 ' ' GLY . . . . . . . . . . . . . . . -61.77 -44.37 97.97 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.919 -177.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1276 ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -77.1 -39.97 47.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.794 0.33 . . . . 0.0 110.891 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1277 ' ' ASP . . . . . . . . . . . . . 4.8 t70 -63.08 -38.82 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.23 0.538 . . . . 0.0 109.725 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1278 ' ' PHE . . . . . 0.596 ' CE2' HG13 ' A' 1216 ' ' VAL . 57.5 t80 -57.09 -43.21 82.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.937 176.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1279 ' ' SER . . . . . . . . . . . . . 49.9 m -59.85 -41.13 90.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.065 0.459 . . . . 0.0 110.239 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1280 ' ' THR . . . . . . . . . . . . . 2.2 m -68.29 -31.87 71.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.864 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1281 ' ' PHE . . . . . . . . . . . . . 49.5 t80 -73.81 -47.0 41.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.534 177.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1282 ' ' LEU . . . . . 0.529 HD23 ' HB1' ' A' 1219 ' ' ALA . 29.2 tp -61.56 -40.86 96.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.179 -175.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1283 ' ' GLU . . . . . 0.497 ' HG2' HD11 ' A' 1223 ' ' LEU . 41.6 mt-10 -63.24 -27.96 69.71 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.698 0.285 . . . . 0.0 111.57 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1284 ' ' ALA . . . . . . . . . . . . . . . -74.38 -42.67 58.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.882 0.372 . . . . 0.0 110.131 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1285 ' ' GLY . . . . . . . . . . . . . . . -66.02 -45.25 88.79 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.568 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1286 ' ' VAL . . . . . 0.788 HG11 ' HB3' ' A' 1223 ' ' LEU . 18.3 m -67.8 -26.71 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 122.644 -0.327 . . . . 0.0 111.126 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1287 ' ' GLU . . . . . 0.787 ' HA ' ' HG2' ' A' 1229 ' ' PRO . 36.1 tt0 -65.31 -52.97 50.48 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.12 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1288 ' ' MET . . . . . 0.461 ' HE3' ' HB2' ' A' 1288 ' ' MET . 22.1 ptm -70.93 -24.97 62.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 178.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1289 ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' 1298 ' ' ARG . . . -59.34 -35.63 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.162 0.506 . . . . 0.0 109.93 171.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1290 ' ' GLY . . . . . 0.741 ' HA3' ' HD2' ' A' 1229 ' ' PRO . . . -76.38 -31.73 53.73 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.692 174.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1291 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -83.97 15.87 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.374 0.27 . . . . 0.0 110.823 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1292 ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' A' 1293 ' ' PRO . . . -59.1 144.6 82.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.778 -176.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1293 ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' 1292 ' ' ALA . 24.1 Cg_exo -64.48 -33.33 57.54 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.844 2.363 . . . . 0.0 112.424 177.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1294 ' ' SER . . . . . . . . . . . . . 53.2 p -146.69 165.79 28.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 111.301 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1295 ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -66.4 -40.29 89.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.28 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1296 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.48 -34.12 77.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.394 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1297 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.98 -43.69 82.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.954 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1298 ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' 1289 ' ' ALA . 49.0 ttp180 -59.33 -48.82 80.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.548 179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1299 ' ' ALA . . . . . . . . . . . . . . . -57.8 -38.82 76.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1300 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.85 -51.85 36.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1301 ' ' VAL . . . . . 0.581 ' O ' ' HG ' ' A' 1305 ' ' LEU . 12.4 p -62.7 -36.64 76.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.185 -177.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1302 ' ' VAL . . . . . 0.533 ' HA ' HD12 ' A' 1305 ' ' LEU . 77.0 t -63.97 -38.69 83.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.497 176.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1303 ' ' SER . . . . . . . . . . . . . 40.1 m -63.71 -38.68 92.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.608 177.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1304 ' ' ASN . . . . . 0.558 ' ND2' ' HA ' ' A' 1301 ' ' VAL . 47.5 m-20 -61.43 -43.06 99.53 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1305 ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' 1301 ' ' VAL . 92.7 mt -60.45 -39.88 89.15 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.896 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1306 ' ' LYS . . . . . 0.402 ' HA ' ' HG ' ' A' 1309 ' ' SER . 35.2 ttpt -64.71 -42.79 95.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.785 0.326 . . . . 0.0 110.212 175.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1307 ' ' GLY . . . . . . . . . . . . . . . -56.82 -42.49 91.9 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.466 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1308 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -37.61 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 122.736 -0.273 . . . . 0.0 111.037 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1309 ' ' SER . . . . . 0.402 ' HG ' ' HA ' ' A' 1306 ' ' LYS . 34.1 p -66.11 -48.21 71.61 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.794 0.33 . . . . 0.0 111.164 -178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1310 ' ' MET . . . . . . . . . . . . . 93.3 mmm -63.89 -39.49 94.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.765 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1311 ' ' SER . . . . . . . . . . . . . 69.6 m -63.51 -39.3 94.07 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.729 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1312 ' ' SER . . . . . . . . . . . . . 49.6 m -63.16 -40.57 97.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.504 0.668 . . . . 0.0 109.6 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1313 ' ' SER . . . . . 0.431 ' O ' ' HG ' ' A' 1317 ' ' LEU . 60.1 m -60.68 -50.5 73.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.683 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1314 ' ' LYS . . . . . 0.427 ' HA ' HD12 ' A' 1317 ' ' LEU . 57.8 mttm -63.54 -34.58 78.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.139 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1315 ' ' LEU . . . . . 0.59 HD22 ' HA ' ' A' 1339 ' ' ALA . 38.0 tp -63.57 -49.32 73.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 177.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1316 ' ' LEU . . . . . 0.43 HD13 ' HB1' ' A' 1212 ' ' ALA . 70.3 mt -66.97 -26.92 67.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.24 -178.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1317 ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' 1313 ' ' SER . 90.4 mt -64.67 -34.86 79.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.915 0.388 . . . . 0.0 110.263 175.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1318 ' ' ALA . . . . . . . . . . . . . . . -70.57 -37.75 73.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.954 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1319 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.48 87.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.976 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1320 ' ' LYS . . . . . 0.442 ' HA ' HG21 ' A' 1209 ' ' VAL . 39.6 ttmt -63.28 -50.65 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.166 0.507 . . . . 0.0 110.584 177.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1321 ' ' ALA . . . . . . . . . . . . . . . -63.91 -36.41 83.85 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.872 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1322 ' ' LEU . . . . . 0.418 ' CD2' ' HB2' ' A' 1260 ' ' SER . 35.1 tp -77.93 -19.37 54.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.719 -177.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1323 ' ' SER . . . . . . . . . . . . . 8.6 p -85.12 -27.88 25.94 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.754 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1324 ' ' THR . . . . . . . . . . . . . 8.6 t -89.64 -30.75 17.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.811 0.338 . . . . 0.0 110.316 176.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1325 ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -124.59 77.23 63.59 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.871 0.367 . . . . 0.0 110.245 173.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -79.38 -2.76 12.54 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.433 2.088 . . . . 0.0 113.054 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1327 ' ' ALA . . . . . . . . . . . . . . . -93.16 -6.29 48.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.389 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1328 ' ' SER . . . . . . . . . . . . . 35.7 t -83.93 111.23 31.22 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1329 ' ' PRO . . . . . 0.619 ' HA ' ' HD3' ' A' 1332 ' ' LYS . 37.4 Cg_endo -66.45 -28.2 46.28 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.927 2.418 . . . . 0.0 112.418 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1330 ' ' ASN . . . . . . . . . . . . . 17.6 m120 -62.94 -35.88 81.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.255 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1331 ' ' LEU . . . . . 0.406 ' HB2' HD13 ' A' 1322 ' ' LEU . 6.4 mp -71.09 -26.67 63.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.707 -175.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1332 ' ' LYS . . . . . 0.619 ' HD3' ' HA ' ' A' 1329 ' ' PRO . 0.6 OUTLIER -64.97 -48.09 75.27 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1333 ' ' SER . . . . . . . . . . . . . 4.3 m -64.24 -43.34 95.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.3 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1334 ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.11 -50.16 74.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.018 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1335 ' ' LEU . . . . . 0.675 HD21 ' HB3' ' A' 1256 ' ' LEU . 8.6 tt -63.72 -48.87 75.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.455 -178.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1336 ' ' ALA . . . . . . . . . . . . . . . -60.48 -34.55 74.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.441 -178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1337 ' ' ALA . . . . . . . . . . . . . . . -71.53 -47.95 51.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.756 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1338 ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' 1342 ' ' VAL . . . -62.11 -38.55 89.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1339 ' ' ALA . . . . . 0.59 ' HA ' HD22 ' A' 1315 ' ' LEU . . . -60.17 -43.02 96.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.005 179.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1340 ' ' ARG . . . . . 0.489 ' HD3' ' HA ' ' A' 1340 ' ' ARG . 25.1 mmt180 -71.45 -27.96 63.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.15 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1341 ' ' ALA . . . . . . . . . . . . . . . -66.97 -42.45 85.14 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 173.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1342 ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' 1346 ' ' ILE . 97.1 t -60.76 -48.68 87.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.885 174.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1343 ' ' THR . . . . . . . . . . . . . 33.5 m -52.75 -49.3 65.75 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.5 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1344 ' ' ASP . . . . . 0.569 ' O ' ' HG2' ' A' 1348 ' ' GLN . 26.5 t70 -63.14 -45.0 94.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.791 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1345 ' ' SER . . . . . . . . . . . . . 19.4 m -58.61 -38.27 77.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1346 ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' 1342 ' ' VAL . 88.5 mt -60.73 -49.27 85.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.085 175.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1347 ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -61.67 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.067 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1348 ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' 1344 ' ' ASP . 79.8 mm-40 -60.75 -35.72 77.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.743 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' 1304 ' ' ASN . 3.2 tm? -63.43 -51.28 66.41 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1350 ' ' ILE . . . . . 0.527 HD12 ' HB3' ' A' 1242 ' ' LEU . 34.8 mm -61.39 -32.63 53.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.747 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1351 ' ' THR . . . . . . . . . . . . . 55.3 m -57.92 -54.96 41.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -28.85 69.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.3 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1353 ' ' CYS . . . . . . . . . . . . . 61.3 m -67.28 -20.85 65.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.546 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1354 ' ' THR . . . . . . . . . . . . . 9.0 t -126.19 12.77 7.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.946 0.403 . . . . 0.0 110.86 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1355 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -81.18 105.91 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.53 -174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1356 ' ' GLN . . . . . . . . . . . . . 16.0 mm100 63.44 -92.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.209 176.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1357 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.661 -0.685 . . . . 0.0 110.507 -176.527 . . . . . . . . 0 0 . 1 stop_ save_